91
Coordinates from ORCA-job /scratch/magstr/orcajob__5658575-UqKm/orca E -6148.858603675169
  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__5658575-UqKm/orca E -6148.898615004537
  N      -2.758207      1.029372      5.679396
  Mo     -3.916397      2.550271      4.674349
  N      -5.298580      2.755150      6.353071
  C      -4.988210      3.651424      7.458564
  C      -4.026831      2.971013      8.459671
  N      -2.735635      2.703378      7.865466
  C      -2.141186      1.397945      8.012132
  C      -1.696651      0.842704      6.635646
  C      -1.812044      3.812004      7.813918
  C      -1.403236      4.139427      6.354765
  N      -2.541812      4.013751      5.478987
  H      -0.797181      1.365537      6.286004
  H      -1.461167     -0.227506      6.735150
  H      -1.264839      1.419175      8.681951
  H      -2.882589      0.710579      8.434795
  H      -1.004186      5.163207      6.311086
  H      -0.623821      3.448426      6.008998
  H      -2.293185      4.699012      8.243814
  H      -0.900010      3.600368      8.394234
  H      -5.906085      3.934533      7.996780
  H      -4.524932      4.565364      7.068665
  H      -4.485202      2.026495      8.774713
  H      -3.940935      3.621284      9.347447
  C      -4.194167     -4.146869      7.789636
  C      -5.612449     -3.726192      7.373353
  C      -5.665237     -3.387734      5.907000
  C      -5.859314     -4.384100      4.945799
  C      -5.873985     -4.076198      3.587394
  C      -5.669202     -2.769015      3.164680
  C      -5.446418     -1.763647      4.109750
  C      -5.225217     -0.369331      3.642400
  O      -5.759856      0.064214      2.615201
  N      -4.381968      0.431449      4.370635
  C      -3.413083      0.018167      5.182837
  C      -5.467999     -2.078916      5.474520
  C      -0.674734      8.308879      0.324702
  C      -0.787148      8.361037      1.856473
  C      -2.222276      8.234939      2.295292
  C      -3.051154      9.359091      2.365766
  C      -4.395387      9.238667      2.708627
  C      -4.936620      7.990661      2.993623
  C      -4.116801      6.859549      2.953656
  C      -4.717548      5.517509      3.222173
  O      -5.695567      5.129007      2.576832
  N      -4.149510      4.720616      4.181314
  C      -3.083418      5.056946      4.924873
  C      -2.768298      6.986588      2.597144
  C     -10.735056     -3.486209      6.744513
  C      -9.290346     -3.507293      6.221813
  C      -9.089802     -2.469510      5.148536
  C      -9.480379     -2.728168      3.829982
  C      -9.371828     -1.751441      2.843997
  C      -8.873486     -0.494965      3.161720
  C      -8.450075     -0.228701      4.466576
  C      -7.910939      1.119477      4.792521
  O      -8.359796      2.142253      4.226865
  N      -6.883445      1.166980      5.653976
  C      -6.490784      2.196121      6.376964
  C      -8.563734     -1.214661      5.449880
  H      -3.870314     -5.020180      7.214737
  H      -3.482414     -3.332970      7.608500
  H      -4.168921     -4.400861      8.854291
  H      -6.308280     -4.546548      7.585310
  H      -5.919308     -2.852119      7.961392
  H      -6.015636     -5.411806      5.267750
  H      -6.046097     -4.858143      2.852225
  H      -5.676296     -2.504434      2.110863
  H      -3.129374     -1.031760      5.335739
  H      -5.375380     -1.275759      6.203366
  H       0.371323      8.402564      0.015734
  H      -1.066584      7.359698     -0.056494
  H      -1.248037      9.122655     -0.130554
  H      -0.195934      7.543972      2.288623
  H      -0.377375      9.313150      2.215108
  H      -2.637841     10.339928      2.139687
  H      -5.029373     10.120750      2.750274
  H      -5.986700      7.877227      3.251832
  H      -2.712628      6.083982      5.041941
  H      -2.147165      6.093400      2.524576
  H     -11.440152     -3.688970      5.932146
  H     -10.974156     -2.503798      7.165405
  H     -10.871142     -4.243133      7.523971
  H      -9.069445     -4.501106      5.812672
  H      -8.601103     -3.312303      7.052425
  H      -9.878483     -3.708563      3.574594
  H      -9.680192     -1.966497      1.823643
  H      -8.783960      0.285288      2.409964
  H      -7.210052      2.559116      7.137893
  H      -8.241557     -0.984132      6.464464
  N      -2.775254      2.440419      3.013711
  H      -2.197807      2.381819      2.168988
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5658575-UqKm/orca E -6148.930472063573
  N      -2.736156      1.034438      5.696056
  Mo     -3.896495      2.549486      4.688610
  N      -5.276364      2.757747      6.343788
  C      -4.973012      3.654290      7.460047
  C      -4.022873      2.971403      8.470572
  N      -2.724280      2.702693      7.888106
  C      -2.126831      1.397507      8.034006
  C      -1.675204      0.852290      6.655895
  C      -1.796895      3.808653      7.838421
  C      -1.383029      4.126601      6.379469
  N      -2.521183      4.005816      5.499728
  H      -0.773799      1.377268      6.310916
  H      -1.438686     -0.220229      6.748326
  H      -1.252208      1.417184      8.709611
  H      -2.869535      0.705515      8.451878
  H      -0.982160      5.150891      6.329693
  H      -0.602362      3.433923      6.036166
  H      -2.277492      4.700334      8.264371
  H      -0.886575      3.597164      8.425372
  H      -5.898180      3.937714      7.986139
  H      -4.505247      4.569913      7.077997
  H      -4.482446      2.024311      8.782300
  H      -3.947029      3.622421      9.360983
  C      -4.174091     -4.148127      7.791032
  C      -5.594892     -3.723659      7.380637
  C      -5.660215     -3.384569      5.912867
  C      -5.868114     -4.378506      4.946316
  C      -5.894403     -4.063785      3.584583
  C      -5.686918     -2.752728      3.162053
  C      -5.450118     -1.750846      4.111730
  C      -5.227570     -0.355030      3.640434
  O      -5.757317      0.088725      2.627509
  N      -4.363396      0.440860      4.385174
  C      -3.393645      0.017976      5.195178
  C      -5.460928     -2.072670      5.479668
  C      -0.675336      8.295230      0.305048
  C      -0.796465      8.354036      1.837956
  C      -2.232327      8.221866      2.279961
  C      -3.071434      9.343869      2.345963
  C      -4.419537      9.217090      2.691854
  C      -4.955714      7.964806      2.984380
  C      -4.126024      6.835955      2.948628
  C      -4.723717      5.492092      3.223436
  O      -5.695412      5.086976      2.595570
  N      -4.134269      4.705509      4.201818
  C      -3.067095      5.054033      4.941815
  C      -2.774031      6.969227      2.590537
  C     -10.717961     -3.501174      6.737482
  C      -9.279963     -3.505721      6.191073
  C      -9.095969     -2.460402      5.119106
  C      -9.499957     -2.712134      3.798383
  C      -9.404989     -1.725331      2.813282
  C      -8.907355     -0.465148      3.133164
  C      -8.470297     -0.206245      4.439871
  C      -7.929409      1.140996      4.771112
  O      -8.382751      2.163473      4.221586
  N      -6.882067      1.184861      5.633900
  C      -6.489174      2.199423      6.363944
  C      -8.570493     -1.201491      5.421517
  H      -3.852133     -5.025867      7.214769
  H      -3.457513     -3.333962      7.604271
  H      -4.139865     -4.402275      8.859194
  H      -6.295600     -4.542410      7.598997
  H      -5.897122     -2.846275      7.971615
  H      -6.027037     -5.410442      5.266603
  H      -6.078263     -4.845359      2.846639
  H      -5.704442     -2.484499      2.106141
  H      -3.112045     -1.032513      5.348923
  H      -5.358516     -1.272898      6.215025
  H       0.374297      8.394147     -0.003112
  H      -1.060357      7.339668     -0.076936
  H      -1.252670      9.105398     -0.160109
  H      -0.199768      7.541537      2.278334
  H      -0.391891      9.312273      2.195136
  H      -2.662717     10.329503      2.113917
  H      -5.059601     10.099311      2.729452
  H      -6.008159      7.847730      3.244013
  H      -2.698875      6.083039      5.055548
  H      -2.144151      6.077935      2.521666
  H     -11.437923     -3.705597      5.933673
  H     -10.961699     -2.521152      7.170217
  H     -10.838923     -4.266022      7.516984
  H      -9.055197     -4.498260      5.772611
  H      -8.577590     -3.311199      7.014893
  H      -9.897887     -3.696312      3.540599
  H      -9.723793     -1.937981      1.792098
  H      -8.827780      0.320943      2.383120
  H      -7.200197      2.572444      7.126746
  H      -8.237420     -0.977078      6.437453
  N      -2.855910      2.447499      3.127831
  H      -2.293439      2.384902      2.272073
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5658575-UqKm/orca E -6148.947007534155
  N      -2.711899      1.032293      5.716756
  Mo     -3.870730      2.542107      4.703806
  N      -5.259157      2.758480      6.336225
  C      -4.963885      3.653151      7.461592
  C      -4.024662      2.969021      8.481307
  N      -2.717700      2.700557      7.913400
  C      -2.117315      1.394665      8.059629
  C      -1.654011      0.856913      6.682731
  C      -1.787564      3.806699      7.863140
  C      -1.363004      4.114069      6.405073
  N      -2.497962      3.996114      5.519421
  H      -0.750300      1.383043      6.344666
  H      -1.415796     -0.216591      6.769418
  H      -1.247131      1.413441      8.742911
  H      -2.861737      0.699168      8.470964
  H      -0.960534      5.138252      6.347015
  H      -0.579887      3.420228      6.068794
  H      -2.269390      4.702362      8.281745
  H      -0.881032      3.598280      8.459132
  H      -5.896423      3.938322      7.974292
  H      -4.490880      4.570026      7.088432
  H      -4.484255      2.020074      8.789925
  H      -3.959975      3.620918      9.373275
  C      -4.143775     -4.156245      7.795528
  C      -5.564890     -3.721496      7.396999
  C      -5.646379     -3.380391      5.929977
  C      -5.876335     -4.369558      4.961703
  C      -5.920271     -4.049205      3.600541
  C      -5.708167     -2.737608      3.178143
  C      -5.448581     -1.740879      4.128732
  C      -5.224169     -0.345810      3.650887
  O      -5.752212      0.110182      2.649951
  N      -4.341012      0.442724      4.406222
  C      -3.371563      0.012688      5.212306
  C      -5.442184     -2.067997      5.496429
  C      -0.691172      8.268358      0.284528
  C      -0.816995      8.335277      1.816916
  C      -2.250972      8.194841      2.263994
  C      -3.100344      9.310924      2.325307
  C      -4.448099      9.175854      2.675233
  C      -4.975074      7.920645      2.976374
  C      -4.135149      6.797617      2.944916
  C      -4.726206      5.451719      3.226946
  O      -5.694862      5.025724      2.618733
  N      -4.114542      4.681668      4.221421
  C      -3.047732      5.044142      4.954865
  C      -2.783703      6.939433      2.584774
  C     -10.672894     -3.517979      6.706678
  C      -9.247629     -3.492783      6.128266
  C      -9.093767     -2.429070      5.069106
  C      -9.517242     -2.662963      3.750023
  C      -9.447029     -1.658733      2.778124
  C      -8.955963     -0.397695      3.109085
  C      -8.499046     -0.156403      4.413606
  C      -7.959911      1.188271      4.757527
  O      -8.420288      2.216197      4.236150
  N      -6.890202      1.219054      5.609658
  C      -6.490072      2.211403      6.353391
  C      -8.574433     -1.168585      5.381616
  H      -3.830517     -5.037666      7.217134
  H      -3.421030     -3.347156      7.601649
  H      -4.098502     -4.410990      8.864632
  H      -6.272251     -4.533956      7.623834
  H      -5.856538     -2.841618      7.991806
  H      -6.040463     -5.402586      5.280686
  H      -6.123186     -4.828114      2.862885
  H      -5.743233     -2.466271      2.122449
  H      -3.094170     -1.038409      5.369236
  H      -5.324108     -1.273145      6.236148
  H       0.359051      8.374163     -0.024380
  H      -1.067688      7.306970     -0.095408
  H      -1.274156      9.071581     -0.189097
  H      -0.212895      7.530811      2.264934
  H      -0.419085      9.299031      2.170462
  H      -2.699400     10.299667      2.086436
  H      -5.094466     10.055181      2.708767
  H      -6.027436      7.798183      3.238115
  H      -2.683139      6.075160      5.062998
  H      -2.144414      6.053197      2.519963
  H     -11.410432     -3.719508      5.916047
  H     -10.922625     -2.548242      7.162265
  H     -10.768709     -4.297775      7.476925
  H      -9.016669     -4.476727      5.689731
  H      -8.528437     -3.304197      6.940567
  H      -9.910131     -3.648253      3.482828
  H      -9.780428     -1.860653      1.758139
  H      -8.894782      0.400501      2.369016
  H      -7.189852      2.600304      7.118737
  H      -8.224903     -0.958940      6.396400
  N      -2.939514      2.443956      3.232398
  H      -2.403377      2.373586      2.360795
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5658575-UqKm/orca E -6148.953722792292
  N      -2.673798      1.015958      5.752286
  Mo     -3.821066      2.520535      4.724506
  N      -5.247943      2.756256      6.324639
  C      -4.962138      3.643666      7.459903
  C      -4.038146      2.959621      8.493248
  N      -2.717962      2.693045      7.953533
  C      -2.118856      1.384430      8.102619
  C      -1.628922      0.850873      6.733932
  C      -1.787574      3.802564      7.897734
  C      -1.334470      4.091394      6.443254
  N      -2.456955      3.976141      5.542133
  H      -0.720391      1.377738      6.411520
  H      -1.388056     -0.222526      6.819684
  H      -1.261594      1.400409      8.802476
  H      -2.869970      0.687481      8.498963
  H      -0.925623      5.112783      6.375292
  H      -0.547995      3.392300      6.127657
  H      -2.275451      4.703786      8.296852
  H      -0.891523      3.604199      8.513018
  H      -5.902170      3.934110      7.956220
  H      -4.481068      4.561411      7.098886
  H      -4.499058      2.009895      8.797045
  H      -3.990784      3.612561      9.385871
  C      -4.106454     -4.182077      7.814966
  C      -5.526365     -3.727275      7.438789
  C      -5.630032     -3.382153      5.974621
  C      -5.901550     -4.362866      5.009320
  C      -5.973173     -4.036886      3.651890
  C      -5.744877     -2.729067      3.228572
  C      -5.440440     -1.741889      4.175269
  C      -5.203110     -0.351326      3.691505
  O      -5.731075      0.115686      2.695720
  N      -4.305885      0.427899      4.445076
  C      -3.333742     -0.004301      5.244905
  C      -5.409731     -2.073225      5.540254
  C      -0.739731      8.247133      0.250936
  C      -0.855785      8.324899      1.782654
  C      -2.282134      8.167070      2.246314
  C      -3.147464      9.269962      2.306831
  C      -4.488917      9.117788      2.669780
  C      -4.994600      7.857658      2.983645
  C      -4.138479      6.747552      2.952034
  C      -4.709787      5.395661      3.243270
  O      -5.684699      4.950431      2.659591
  N      -4.075047      4.644545      4.241075
  C      -3.004912      5.018192      4.962785
  C      -2.792614      6.907362      2.583404
  C     -10.575943     -3.530759      6.652580
  C      -9.176450     -3.460772      6.019989
  C      -9.079205     -2.368286      4.984278
  C      -9.542409     -2.575904      3.675348
  C      -9.521053     -1.547082      2.728386
  C      -9.041794     -0.286130      3.074874
  C      -8.543716     -0.070708      4.367695
  C      -8.005493      1.270174      4.726851
  O      -8.487073      2.309527      4.251792
  N      -6.906288      1.281240      5.543145
  C      -6.493391      2.240666      6.318781
  C      -8.569491     -1.107738      5.310309
  H      -3.813165     -5.067358      7.232257
  H      -3.374970     -3.383928      7.609401
  H      -4.045983     -4.437847      8.882774
  H      -6.243977     -4.526722      7.679098
  H      -5.797240     -2.845047      8.039790
  H      -6.080851     -5.392775      5.328883
  H      -6.212691     -4.808575      2.918138
  H      -5.808624     -2.452728      2.175743
  H      -3.065158     -1.056320      5.410457
  H      -5.262057     -1.284884      6.281149
  H       0.305834      8.366707     -0.067550
  H      -1.104021      7.277649     -0.119845
  H      -1.337997      9.036859     -0.225972
  H      -0.234335      7.536023      2.234565
  H      -0.467889      9.296029      2.126776
  H      -2.763517     10.262526      2.057778
  H      -5.146908      9.988001      2.703100
  H      -6.042991      7.722061      3.253269
  H      -2.642585      6.050893      5.062093
  H      -2.139056      6.031828      2.521047
  H     -11.341064     -3.726832      5.887362
  H     -10.827848     -2.579330      7.143856
  H     -10.627279     -4.331976      7.404549
  H      -8.940669     -4.428450      5.549339
  H      -8.428458     -3.282283      6.808004
  H      -9.926515     -3.560874      3.395917
  H      -9.883428     -1.730829      1.715187
  H      -9.016936      0.530236      2.352963
  H      -7.190520      2.645793      7.078581
  H      -8.186060     -0.919593      6.316585
  N      -2.974714      2.412235      3.225964
  H      -2.489486      2.328879      2.325639
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5658575-UqKm/orca E -6148.959542904198
  N      -2.637959      1.009814      5.772044
  Mo     -3.764346      2.514236      4.730760
  N      -5.243276      2.758366      6.284936
  C      -4.975802      3.641002      7.429097
  C      -4.074338      2.955026      8.480480
  N      -2.738687      2.687760      7.980289
  C      -2.143711      1.376110      8.132556
  C      -1.614838      0.849373      6.776280
  C      -1.806971      3.797259      7.934279
  C      -1.314233      4.075608      6.491403
  N      -2.418206      3.966559      5.568359
  H      -0.698133      1.375690      6.479686
  H      -1.373802     -0.224679      6.860541
  H      -1.306579      1.386873      8.856602
  H      -2.905754      0.678140      8.504950
  H      -0.899165      5.094878      6.424055
  H      -0.521826      3.374846      6.198231
  H      -2.303741      4.701328      8.314838
  H      -0.927733      3.604097      8.575121
  H      -5.925538      3.935759      7.903943
  H      -4.485443      4.560627      7.083475
  H      -4.539577      2.004781      8.775247
  H      -4.049548      3.607912      9.374314
  C      -4.104430     -4.209091      7.769026
  C      -5.521462     -3.754020      7.387378
  C      -5.617908     -3.388714      5.927970
  C      -5.892624     -4.353095      4.948021
  C      -5.965098     -4.006072      3.597268
  C      -5.729219     -2.694220      3.194034
  C      -5.414430     -1.724242      4.154603
  C      -5.162054     -0.333080      3.683777
  O      -5.671605      0.151340      2.686030
  N      -4.260455      0.429275      4.452027
  C      -3.294541     -0.008599      5.251679
  C      -5.389250     -2.074927      5.513484
  C      -0.751974      8.254111      0.254433
  C      -0.874568      8.340805      1.783857
  C      -2.297577      8.161803      2.248446
  C      -3.181992      9.248970      2.300013
  C      -4.520225      9.076188      2.661915
  C      -5.004510      7.810009      2.982390
  C      -4.129108      6.715402      2.959449
  C      -4.679073      5.356870      3.255674
  O      -5.650037      4.886673      2.684535
  N      -4.027824      4.624172      4.258276
  C      -2.963314      5.006178      4.980320
  C      -2.786103      6.896608      2.594873
  C     -10.567864     -3.455769      6.736528
  C      -9.175770     -3.406774      6.088818
  C      -9.080602     -2.345023      5.022265
  C      -9.552111     -2.587320      3.723724
  C      -9.537221     -1.584644      2.750591
  C      -9.060212     -0.313655      3.060609
  C      -8.549878     -0.064737      4.341145
  C      -8.011366      1.285904      4.663589
  O      -8.502552      2.317399      4.183939
  N      -6.895100      1.312740      5.457429
  C      -6.495726      2.261014      6.249442
  C      -8.564497     -1.077523      5.308830
  H      -3.801958     -5.086265      7.178916
  H      -3.373278     -3.406965      7.578102
  H      -4.049470     -4.477257      8.833800
  H      -6.241984     -4.554496      7.615389
  H      -5.800020     -2.881000      7.998466
  H      -6.079035     -5.386131      5.251955
  H      -6.212031     -4.764989      2.853078
  H      -5.798676     -2.401159      2.146250
  H      -3.036285     -1.062670      5.421422
  H      -5.238944     -1.300884      6.268551
  H       0.291747      8.390291     -0.062503
  H      -1.097638      7.276363     -0.112148
  H      -1.362200      9.029156     -0.231115
  H      -0.238737      7.569112      2.245554
  H      -0.502521      9.319619      2.123892
  H      -2.815048     10.246230      2.045239
  H      -5.192260      9.935510      2.688858
  H      -6.051138      7.658483      3.249407
  H      -2.605040      6.040432      5.080031
  H      -2.115512      6.033798      2.540611
  H     -11.342121     -3.670860      5.985819
  H     -10.814298     -2.491265      7.204347
  H     -10.615017     -4.235691      7.510598
  H      -8.943769     -4.388121      5.646041
  H      -8.418622     -3.213023      6.863506
  H      -9.938775     -3.578866      3.473532
  H      -9.906746     -1.796592      1.745682
  H      -9.043926      0.483612      2.317227
  H      -7.200692      2.678267      6.995093
  H      -8.172567     -0.864211      6.306470
  N      -2.987928      2.402811      3.191512
  H      -2.559608      2.304442      2.263943
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5658575-UqKm/orca E -6148.964372295298
  N      -2.605692      1.000006      5.799978
  Mo     -3.717549      2.504350      4.755223
  N      -5.230491      2.760414      6.269817
  C      -4.965253      3.638872      7.417642
  C      -4.077972      2.951047      8.478540
  N      -2.734423      2.682097      8.005800
  C      -2.145368      1.368853      8.160843
  C      -1.594212      0.841688      6.814981
  C      -1.802189      3.790082      7.960946
  C      -1.283636      4.056737      6.525897
  N      -2.378024      3.951274      5.592504
  H      -0.672208      1.364165      6.531458
  H      -1.353511     -0.232228      6.902182
  H      -1.322188      1.375889      8.900443
  H      -2.916223      0.673572      8.518973
  H      -0.860869      5.072943      6.457140
  H      -0.490171      3.352446      6.248376
  H      -2.304594      4.697081      8.325770
  H      -0.934885      3.602725      8.619401
  H      -5.917185      3.941740      7.882595
  H      -4.467032      4.557825      7.080236
  H      -4.546251      2.001487      8.769963
  H      -4.066139      3.605481      9.371442
  C      -4.094972     -4.222974      7.771234
  C      -5.512587     -3.764301      7.401816
  C      -5.620060     -3.387170      5.946637
  C      -5.912856     -4.341368      4.962544
  C      -5.995261     -3.983626      3.615792
  C      -5.749397     -2.671683      3.220507
  C      -5.415666     -1.711738      4.185273
  C      -5.146919     -0.323628      3.718245
  O      -5.645109      0.172810      2.720575
  N      -4.234541      0.423690      4.489471
  C      -3.268213     -0.017738      5.279903
  C      -5.383742     -2.072127      5.540247
  C      -0.790223      8.231234      0.239361
  C      -0.910970      8.335617      1.766327
  C      -2.329031      8.141253      2.238300
  C      -3.229891      9.214826      2.278754
  C      -4.563852      9.026335      2.646778
  C      -5.027802      7.757072      2.983386
  C      -4.135445      6.676185      2.971860
  C      -4.662967      5.314643      3.286409
  O      -5.632905      4.818265      2.736572
  N      -3.989019      4.602460      4.289264
  C      -2.923189      4.990247      5.000226
  C      -2.796780      6.873552      2.602552
  C     -10.503151     -3.444949      6.707544
  C      -9.126976     -3.380016      6.031473
  C      -9.059076     -2.307337      4.974659
  C      -9.557182     -2.538551      3.684736
  C      -9.572749     -1.524672      2.724289
  C      -9.100411     -0.253114      3.039164
  C      -8.562384     -0.015032      4.309411
  C      -8.032623      1.337735      4.638266
  O      -8.540505      2.371675      4.185903
  N      -6.888375      1.364358      5.392750
  C      -6.493219      2.288245      6.209684
  C      -8.544220     -1.039691      5.263612
  H      -3.795290     -5.095853      7.173925
  H      -3.364257     -3.420976      7.581202
  H      -4.032432     -4.498429      8.833268
  H      -6.233440     -4.563674      7.630936
  H      -5.787407     -2.896573      8.022145
  H      -6.105465     -5.374550      5.260566
  H      -6.256076     -4.734733      2.868990
  H      -5.825437     -2.370811      2.175776
  H      -3.020770     -1.074102      5.453415
  H      -5.219775     -1.307475      6.301812
  H       0.250018      8.379601     -0.081969
  H      -1.121336      7.244384     -0.115110
  H      -1.412835      8.990018     -0.255403
  H      -0.261096      7.582045      2.238163
  H      -0.551348      9.323068      2.094390
  H      -2.879157     10.214005      2.010764
  H      -5.247912      9.875830      2.665631
  H      -6.071223      7.593087      3.254099
  H      -2.563701      6.024901      5.093996
  H      -2.111970      6.021927      2.557848
  H     -11.292427     -3.657175      5.972285
  H     -10.746850     -2.487843      7.190992
  H     -10.529653     -4.233030      7.473694
  H      -8.895697     -4.355557      5.575538
  H      -8.354115     -3.192320      6.791859
  H      -9.942006     -3.529618      3.431715
  H      -9.963307     -1.728642      1.726026
  H      -9.110398      0.553365      2.305740
  H      -7.201221      2.716716      6.945157
  H      -8.131052     -0.836194      6.254532
  N      -3.025756      2.380470      3.172203
  H      -2.673863      2.252104      2.217545
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5658575-UqKm/orca E -6148.968531601857
  N      -2.569015      0.995707      5.804684
  Mo     -3.660788      2.502757      4.754970
  N      -5.217652      2.754173      6.213353
  C      -4.969993      3.628881      7.367881
  C      -4.105999      2.939503      8.446603
  N      -2.749655      2.672489      8.013904
  C      -2.165753      1.358002      8.172881
  C      -1.579546      0.835475      6.840332
  C      -1.818897      3.781284      7.986048
  C      -1.263094      4.045035      6.565203
  N      -2.339196      3.943007      5.611156
  H      -0.650714      1.357563      6.580331
  H      -1.338218     -0.238007      6.930836
  H      -1.364102      1.359726      8.935917
  H      -2.947326      0.662245      8.506126
  H      -0.834600      5.059555      6.506389
  H      -0.464788      3.339731      6.306335
  H      -2.332708      4.688423      8.334379
  H      -0.969557      3.598979      8.669179
  H      -5.929783      3.933600      7.815320
  H      -4.466073      4.549921      7.044382
  H      -4.579142      1.988943      8.726808
  H      -4.118791      3.593295      9.340292
  C      -4.104529     -4.240092      7.728420
  C      -5.517134     -3.778154      7.346782
  C      -5.609860     -3.388351      5.894059
  C      -5.903666     -4.331955      4.900082
  C      -5.980260     -3.961008      3.556311
  C      -5.724486     -2.647052      3.174332
  C      -5.383880     -1.698544      4.148863
  C      -5.096541     -0.311406      3.692857
  O      -5.570513      0.195390      2.689167
  N      -4.189013      0.422749      4.484074
  C      -3.228834     -0.022082      5.273862
  C      -5.361295     -2.070968      5.500557
  C      -0.787392      8.262646      0.266893
  C      -0.923638      8.374070      1.791309
  C      -2.341508      8.156017      2.253188
  C      -3.263193      9.212407      2.279469
  C      -4.596745      9.000723      2.637210
  C      -5.039546      7.724522      2.976479
  C      -4.126251      6.660763      2.979519
  C      -4.628975      5.292333      3.298076
  O      -5.590759      4.772873      2.755995
  N      -3.941604      4.594987      4.303493
  C      -2.881686      4.985341      5.017300
  C      -2.788090      6.881632      2.621423
  C     -10.530821     -3.349658      6.815012
  C      -9.154491     -3.329681      6.138007
  C      -9.071903     -2.301420      5.039261
  C      -9.571109     -2.578816      3.758900
  C      -9.578973     -1.602494      2.760270
  C      -9.101926     -0.321624      3.027966
  C      -8.559322     -0.039422      4.286898
  C      -8.026189      1.323459      4.565922
  O      -8.543663      2.344367      4.098872
  N      -6.861626      1.374895      5.293076
  C      -6.487005      2.294480      6.119446
  C      -8.543378     -1.028499      5.278064
  H      -3.797245     -5.108503      7.128308
  H      -3.371103     -3.437385      7.552576
  H      -4.053329     -4.523508      8.789000
  H      -6.242474     -4.577183      7.563074
  H      -5.799135     -2.915756      7.971729
  H      -6.105431     -5.366203      5.188349
  H      -6.245662     -4.703214      2.802203
  H      -5.800524     -2.334922      2.132852
  H      -2.989165     -1.080719      5.446401
  H      -5.195697     -1.315840      6.271475
  H       0.252597      8.428970     -0.046532
  H      -1.096518      7.267774     -0.085159
  H      -1.419637      9.006301     -0.238700
  H      -0.262874      7.637360      2.274874
  H      -0.584147      9.369484      2.117354
  H      -2.929234     10.216647      2.008736
  H      -5.296429      9.837621      2.645767
  H      -6.082233      7.542089      3.238237
  H      -2.523340      6.020187      5.115486
  H      -2.086004      6.043704      2.587884
  H     -11.323385     -3.580567      6.088852
  H     -10.762912     -2.371238      7.260147
  H     -10.568236     -4.106321      7.611854
  H      -8.934294     -4.325975      5.723010
  H      -8.378286     -3.124382      6.890607
  H      -9.963869     -3.575813      3.544089
  H      -9.971137     -1.842224      1.770552
  H      -9.110700      0.457384      2.265261
  H      -7.207644      2.732737      6.835715
  H      -8.127433     -0.791795      6.260526
  N      -3.037647      2.376316      3.149431
  H      -2.757263      2.215255      2.176719
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5658575-UqKm/orca E -6148.972347771278
  N      -2.538741      0.987142      5.813466
  Mo     -3.618742      2.496973      4.766836
  N      -5.202502      2.745121      6.175557
  C      -4.961733      3.614921      7.334980
  C      -4.112038      2.925639      8.425319
  N      -2.746631      2.662703      8.020997
  C      -2.165859      1.347804      8.183353
  C      -1.560624      0.825229      6.859397
  C      -1.818041      3.773598      8.000229
  C      -1.237274      4.031684      6.587861
  N      -2.302888      3.930986      5.622121
  H      -0.628461      1.346774      6.610342
  H      -1.317842     -0.247137      6.955871
  H      -1.377882      1.346522      8.960584
  H      -2.953776      0.652108      8.501777
  H      -0.802105      5.043523      6.535047
  H      -0.438455      3.322217      6.342706
  H      -2.340125      4.681686      8.333820
  H      -0.981112      3.598299      8.700511
  H      -5.925319      3.921376      7.773685
  H      -4.455678      4.537568      7.019882
  H      -4.587597      1.974085      8.697936
  H      -4.143981      3.579477      9.318769
  C      -4.100972     -4.246048      7.736822
  C      -5.514033     -3.779700      7.363016
  C      -5.614063     -3.386729      5.911597
  C      -5.926287     -4.326461      4.919801
  C      -6.009517     -3.953712      3.576477
  C      -5.740750     -2.642790      3.193321
  C      -5.381104     -1.698242      4.165405
  C      -5.075161     -0.315796      3.707147
  O      -5.533019      0.189762      2.695380
  N      -4.167454      0.412690      4.503771
  C      -3.203574     -0.032172      5.285176
  C      -5.354336     -2.071474      5.516946
  C      -0.802362      8.269797      0.276849
  C      -0.944214      8.392933      1.799666
  C      -2.360449      8.160342      2.259504
  C      -3.296323      9.204477      2.274127
  C      -4.628401      8.977825      2.629228
  C      -5.055311      7.698432      2.976688
  C      -4.127731      6.647011      2.991908
  C      -4.610584      5.275282      3.321066
  O      -5.571658      4.740394      2.792176
  N      -3.906903      4.588791      4.322533
  C      -2.843914      4.977500      5.029048
  C      -2.790992      6.882981      2.636793
  C     -10.485964     -3.327628      6.819064
  C      -9.120914     -3.306062      6.119970
  C      -9.060084     -2.280051      5.017913
  C      -9.582563     -2.561209      3.747440
  C      -9.615135     -1.585425      2.748621
  C      -9.140737     -0.301515      3.007303
  C      -8.573899     -0.016209      4.254861
  C      -8.044618      1.349910      4.523403
  O      -8.580241      2.368193      4.074302
  N      -6.850145      1.407105      5.206232
  C      -6.481345      2.307636      6.051768
  C      -8.530882     -1.005294      5.245199
  H      -3.798727     -5.114130      7.133765
  H      -3.366042     -3.445394      7.558983
  H      -4.045570     -4.531412      8.796647
  H      -6.240020     -4.577282      7.582221
  H      -5.791322     -2.918454      7.991698
  H      -6.136788     -5.358504      5.209433
  H      -6.289224     -4.692338      2.824148
  H      -5.821602     -2.328861      2.152790
  H      -2.970263     -1.092534      5.456626
  H      -5.174305     -1.319672      6.287764
  H       0.236227      8.446999     -0.035216
  H      -1.097500      7.267980     -0.067251
  H      -1.442748      9.000586     -0.237096
  H      -0.274855      7.669966      2.292027
  H      -0.617814      9.395112      2.118294
  H      -2.975067     10.210887      1.996431
  H      -5.338917      9.805491      2.629280
  H      -6.096344      7.503577      3.235857
  H      -2.480983      6.010940      5.125893
  H      -2.077699      6.054485      2.612058
  H     -11.289511     -3.562244      6.106385
  H     -10.713471     -2.348667      7.265250
  H     -10.508677     -4.082362      7.618225
  H      -8.903996     -4.303069      5.704693
  H      -8.333049     -3.097313      6.859364
  H      -9.974786     -3.560061      3.540951
  H     -10.025087     -1.827607      1.766827
  H      -9.170828      0.477756      2.245412
  H      -7.208581      2.757523      6.753234
  H      -8.095013     -0.767799      6.218790
  N      -3.072665      2.357566      3.132342
  H      -2.877312      2.148988      2.148009
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5658575-UqKm/orca E -6148.975828303665
  N      -2.509619      0.979448      5.805693
  Mo     -3.580432      2.494297      4.766244
  N      -5.187562      2.726853      6.120918
  C      -4.960202      3.592297      7.286863
  C      -4.124446      2.904814      8.389652
  N      -2.749072      2.649741      8.014070
  C      -2.168412      1.335137      8.179334
  C      -1.543684      0.815343      6.862869
  C      -1.823932      3.764346      8.005868
  C      -1.217433      4.021332      6.603357
  N      -2.271024      3.922889      5.623883
  H      -0.609688      1.339331      6.625682
  H      -1.298121     -0.255598      6.964318
  H      -1.394014      1.331193      8.970090
  H      -2.960583      0.636973      8.481967
  H      -0.777116      5.031177      6.560435
  H      -0.417965      3.308245      6.371135
  H      -2.355663      4.671787      8.326302
  H      -1.000178      3.595175      8.723235
  H      -5.929986      3.894633      7.715158
  H      -4.456033      4.519156      6.981225
  H      -4.600455      1.950551      8.651968
  H      -4.179494      3.557148      9.283226
  C      -4.106058     -4.247027      7.746813
  C      -5.517114     -3.777228      7.368513
  C      -5.613641     -3.387338      5.915797
  C      -5.936881     -4.327650      4.928147
  C      -6.020197     -3.958508      3.583392
  C      -5.739252     -2.651744      3.195065
  C      -5.366556     -1.707013      4.162293
  C      -5.043041     -0.329918      3.697153
  O      -5.479422      0.164606      2.670601
  N      -4.145259      0.401399      4.503419
  C      -3.176948     -0.041759      5.278542
  C      -5.341424     -2.075897      5.515759
  C      -0.804550      8.302108      0.302003
  C      -0.953221      8.428584      1.824287
  C      -2.368947      8.182721      2.279238
  C      -3.315864      9.217042      2.287335
  C      -4.647472      8.976946      2.636635
  C      -5.062596      7.693721      2.984260
  C      -4.124052      6.652082      3.006836
  C      -4.592118      5.276270      3.337485
  O      -5.554451      4.735862      2.815881
  N      -3.876732      4.591576      4.331972
  C      -2.810588      4.975217      5.035245
  C      -2.787622      6.901542      2.657437
  C     -10.475688     -3.275551      6.863892
  C      -9.116420     -3.275341      6.152254
  C      -9.061429     -2.270740      5.030280
  C      -9.597651     -2.573785      3.770253
  C      -9.639383     -1.615676      2.754491
  C      -9.162649     -0.327375      2.986602
  C      -8.580778     -0.021590      4.222705
  C      -8.050518      1.349180      4.461915
  O      -8.601964      2.360163      4.018837
  N      -6.829959      1.417516      5.104670
  C      -6.472929      2.304024      5.965757
  C      -8.525293     -0.994142      5.228911
  H      -3.805498     -5.117518      7.146233
  H      -3.368023     -3.449294      7.569142
  H      -4.054769     -4.530084      8.807604
  H      -6.245087     -4.572986      7.587965
  H      -5.793858     -2.914236      7.995217
  H      -6.156858     -5.356589      5.222196
  H      -6.309807     -4.696646      2.834202
  H      -5.821701     -2.339699      2.154008
  H      -2.946137     -1.103509      5.445042
  H      -5.151877     -1.323466      6.283730
  H       0.233506      8.488892     -0.006712
  H      -1.088335      7.296059     -0.039545
  H      -1.450558      9.024913     -0.216367
  H      -0.278242      7.713944      2.321198
  H      -0.637885      9.434968      2.141000
  H      -3.004143     10.226377      2.008905
  H      -5.366723      9.797163      2.631983
  H      -6.102797      7.487536      3.238411
  H      -2.443199      6.006758      5.135375
  H      -2.066091      6.080135      2.636643
  H     -11.286626     -3.519171      6.162589
  H     -10.693414     -2.286582      7.292752
  H     -10.495198     -4.014716      7.677697
  H      -8.908651     -4.281549      5.754689
  H      -8.320735     -3.056325      6.880160
  H      -9.993699     -3.575511      3.585682
  H     -10.059785     -1.874071      1.781196
  H      -9.202666      0.439530      2.212607
  H      -7.209850      2.763506      6.649911
  H      -8.076647     -0.741931      6.193071
  N      -3.104239      2.345346      3.112708
  H      -2.992207      2.083211      2.127945
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5658575-UqKm/orca E -6148.978920248367
  N      -2.486011      0.971872      5.785151
  Mo     -3.552296      2.493198      4.757508
  N      -5.177877      2.702494      6.058081
  C      -4.965682      3.563636      7.231497
  C      -4.140825      2.878802      8.344533
  N      -2.756313      2.634897      7.994370
  C      -2.172302      1.321744      8.162361
  C      -1.530354      0.806599      6.851916
  C      -1.836094      3.754505      8.001209
  C      -1.205330      4.013447      6.609104
  N      -2.246881      3.918351      5.615811
  H      -0.596532      1.335515      6.625085
  H      -1.280543     -0.262763      6.956766
  H      -1.409275      1.316787      8.963977
  H      -2.965906      0.619218      8.451377
  H      -0.761310      5.021859      6.577369
  H      -0.405505      3.297219      6.388304
  H      -2.378239      4.659943      8.310256
  H      -1.025124      3.590940      8.734354
  H      -5.942387      3.857865      7.649809
  H      -4.466724      4.496225      6.934784
  H      -4.614357      1.920262      8.595698
  H      -4.219133      3.528068      9.238605
  C      -4.111923     -4.240133      7.763734
  C      -5.520732     -3.766011      7.380466
  C      -5.614596     -3.385902      5.924768
  C      -5.950921     -4.330820      4.945814
  C      -6.033155     -3.971922      3.598001
  C      -5.737809     -2.671948      3.198072
  C      -5.351848     -1.722976      4.155880
  C      -5.010855     -0.353844      3.676275
  O      -5.423544      0.120697      2.630638
  N      -4.129818      0.388504      4.491756
  C      -3.155279     -0.051173      5.260601
  C      -5.328286     -2.081029      5.512956
  C      -0.795152      8.342551      0.337268
  C      -0.949975      8.466044      1.859767
  C      -2.366417      8.212351      2.308617
  C      -3.318517      9.241958      2.315194
  C      -4.650697      8.994031      2.657546
  C      -5.061005      7.707761      2.999500
  C      -4.117479      6.670706      3.024411
  C      -4.579607      5.291714      3.350162
  O      -5.547183      4.756514      2.832468
  N      -3.856300      4.599844      4.333871
  C      -2.785881      4.976332      5.034348
  C      -2.780310      6.928007      2.681546
  C     -10.463536     -3.225387      6.918370
  C      -9.109304     -3.245495      6.196086
  C      -9.062214     -2.267520      5.050378
  C      -9.610191     -2.598296      3.802232
  C      -9.661615     -1.662642      2.765994
  C      -9.184543     -0.368913      2.966029
  C      -8.590169     -0.036704      4.189722
  C      -8.060039      1.339453      4.394495
  O      -8.626016      2.341369      3.953072
  N      -6.815395      1.419550      4.997943
  C      -6.468768      2.292914      5.873055
  C      -8.522465     -0.987807      5.215594
  H      -3.815900     -5.116235      7.168926
  H      -3.369547     -3.447390      7.581904
  H      -4.064229     -4.516371      8.826617
  H      -6.251333     -4.558283      7.604038
  H      -5.794608     -2.897920      8.001492
  H      -6.181687     -5.354848      5.249108
  H      -6.333228     -4.712688      2.855361
  H      -5.820157     -2.366921      2.154813
  H      -2.923565     -1.113913      5.419574
  H      -5.127179     -1.324254      6.273823
  H       0.243329      8.534662      0.032853
  H      -1.073061      7.335356     -0.005985
  H      -1.442922      9.063304     -0.181944
  H      -0.273488      7.753289      2.357394
  H      -0.640733      9.473595      2.178880
  H      -3.010824     10.253779      2.040782
  H      -5.374307      9.810583      2.651954
  H      -6.101344      7.494704      3.247892
  H      -2.414316      6.005822      5.139711
  H      -2.055409      6.109564      2.660336
  H     -11.280042     -3.483698      6.228772
  H     -10.675084     -2.225527      7.324692
  H     -10.477905     -3.944939      7.749790
  H      -8.907272     -4.261500      5.820997
  H      -8.307627     -3.009536      6.911893
  H     -10.007883     -3.603911      3.643516
  H     -10.090717     -1.941782      1.802153
  H      -9.234298      0.381821      2.176767
  H      -7.213651      2.760997      6.541773
  H      -8.062274     -0.716180      6.169114
  N      -3.140087      2.335141      3.088605
  H      -3.107691      2.013816      2.115247
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5658575-UqKm/orca E -6148.981454649576
  N      -2.458420      0.966684      5.765286
  Mo     -3.521612      2.491830      4.749228
  N      -5.168821      2.676312      5.997387
  C      -4.973343      3.534438      7.178023
  C      -4.158886      2.853516      8.301227
  N      -2.765251      2.621538      7.976516
  C      -2.177145      1.310596      8.147512
  C      -1.514985      0.801316      6.843751
  C      -1.850517      3.746439      8.000334
  C      -1.194011      4.008367      6.619676
  N      -2.222278      3.916074      5.611167
  H      -0.580855      1.335695      6.629591
  H      -1.260454     -0.266644      6.950736
  H      -1.426294      1.305809      8.960917
  H      -2.972100      0.603219      8.422172
  H      -0.747598      5.015857      6.599295
  H      -0.392220      3.290817      6.410597
  H      -2.404375      4.648978      8.298088
  H      -1.052718      3.588827      8.750374
  H      -5.957651      3.819825      7.585719
  H      -4.479954      4.473034      6.890480
  H      -4.629008      1.890380      8.541770
  H      -4.259984      3.500177      9.195891
  C      -4.125061     -4.226921      7.772540
  C      -5.529856     -3.748466      7.380187
  C      -5.616642     -3.378927      5.921825
  C      -5.964722     -4.328386      4.951563
  C      -6.040717     -3.980066      3.601222
  C      -5.727308     -2.687169      3.190307
  C      -5.329949     -1.734027      4.139110
  C      -4.968330     -0.373364      3.646019
  O      -5.351605      0.084015      2.579758
  N      -4.106694      0.378018      4.474571
  C      -3.128380     -0.057830      5.242538
  C      -5.313098     -2.080938      5.498889
  C      -0.799549      8.368513      0.361805
  C      -0.951126      8.488961      1.884623
  C      -2.365523      8.232592      2.337036
  C      -3.318371      9.259379      2.348409
  C      -4.649074      9.008158      2.692320
  C      -5.056889      7.721377      3.031148
  C      -4.112387      6.687127      3.052436
  C      -4.570710      5.307481      3.375415
  O      -5.545588      4.779078      2.867017
  N      -3.836371      4.608449      4.345066
  C      -2.762863      4.979277      5.038324
  C      -2.776812      6.947915      2.707586
  C     -10.460176     -3.166965      6.973624
  C      -9.110459     -3.208986      6.248509
  C      -9.064747     -2.264111      5.077075
  C      -9.618968     -2.628441      3.842397
  C      -9.672938     -1.721301      2.783701
  C      -9.193420     -0.422409      2.947921
  C      -8.592564     -0.057817      4.157665
  C      -8.060797      1.323348      4.325135
  O      -8.635019      2.313424      3.880057
  N      -6.797890      1.417726      4.894837
  C      -6.463905      2.278130      5.783532
  C      -8.520163     -0.981191      5.205243
  H      -3.831777     -5.108907      7.185233
  H      -3.377724     -3.439389      7.588037
  H      -4.083807     -4.495712      8.837344
  H      -6.264298     -4.536512      7.606553
  H      -5.802183     -2.874956      7.994012
  H      -6.208818     -5.347172      5.263691
  H      -6.349705     -4.723524      2.865203
  H      -5.804610     -2.389840      2.145241
  H      -2.892749     -1.120229      5.397823
  H      -5.101644     -1.320239      6.252894
  H       0.237380      8.562107      0.054718
  H      -1.077067      7.362466      0.018862
  H      -1.448575      9.088646     -0.154116
  H      -0.273498      7.776863      2.378693
  H      -0.642554      9.495441      2.203925
  H      -3.012893     10.271545      2.076049
  H      -5.373561      9.822590      2.690306
  H      -6.095930      7.505119      3.280207
  H      -2.390068      6.007584      5.150268
  H      -2.051987      6.131324      2.681011
  H     -11.279318     -3.443934      6.295277
  H     -10.664991     -2.155896      7.351159
  H     -10.474115     -3.862091      7.824003
  H      -8.914398     -4.235459      5.902281
  H      -8.305922     -2.952315      6.952852
  H     -10.019423     -3.637735      3.712234
  H     -10.106443     -2.025965      1.830503
  H      -9.247324      0.307341      2.141499
  H      -7.216894      2.754241      6.437004
  H      -8.052795     -0.685569      6.146806
  N      -3.166085      2.333180      3.067113
  H      -3.214654      1.961257      2.103574
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5658575-UqKm/orca E -6148.983227809672
  N      -2.440413      0.963814      5.747432
  Mo     -3.501847      2.493131      4.743937
  N      -5.167640      2.649402      5.935264
  C      -4.992383      3.502145      7.125917
  C      -4.189984      2.823674      8.258144
  N      -2.788847      2.606678      7.959095
  C      -2.193274      1.299420      8.133916
  C      -1.510565      0.799422      6.838098
  C      -1.881914      3.738218      8.005601
  C      -1.197623      4.007485      6.640382
  N      -2.208633      3.920377      5.613374
  H      -0.578670      1.341799      6.637682
  H      -1.249351     -0.266591      6.945205
  H      -1.454773      1.296021      8.957462
  H      -2.986441      0.585267      8.394091
  H      -0.750277      5.014782      6.634651
  H      -0.393507      3.289644      6.443273
  H      -2.448936      4.635999      8.292531
  H      -1.100005      3.585595      8.772898
  H      -5.984882      3.775544      7.520552
  H      -4.506101      4.448001      6.849605
  H      -4.654483      1.854540      8.485155
  H      -4.315192      3.464475      9.153344
  C      -4.102720     -4.233160      7.771511
  C      -5.508591     -3.744487      7.388790
  C      -5.605948     -3.380246      5.927567
  C      -5.980395     -4.330666      4.963153
  C      -6.068383     -3.989253      3.609963
  C      -5.739233     -2.703633      3.189570
  C      -5.314123     -1.749784      4.131028
  C      -4.932914     -0.399236      3.621076
  O      -5.292203      0.035373      2.536966
  N      -4.093384      0.367810      4.457796
  C      -3.109194     -0.061496      5.227166
  C      -5.287945     -2.088698      5.495048
  C      -0.779905      8.371878      0.391284
  C      -0.939561      8.513370      1.913615
  C      -2.355486      8.257580      2.360653
  C      -3.310563      9.283041      2.356231
  C      -4.641853      9.031836      2.695494
  C      -5.048420      7.746459      3.044310
  C      -4.102706      6.713485      3.080045
  C      -4.564496      5.334620      3.404819
  O      -5.548305      4.816162      2.901583
  N      -3.824701      4.623556      4.361546
  C      -2.749766      4.988363      5.049568
  C      -2.766054      6.974271      2.740644
  C     -10.421928     -3.116888      7.050686
  C      -9.081118     -3.184080      6.287956
  C      -9.060100     -2.260378      5.088774
  C      -9.645678     -2.643110      3.866639
  C      -9.724674     -1.751548      2.786089
  C      -9.241827     -0.449169      2.916144
  C      -8.608923     -0.067740      4.112390
  C      -8.077597      1.318449      4.246193
  O      -8.680701      2.309442      3.820270
  N      -6.789579      1.418704      4.776504
  C      -6.465079      2.261129      5.688901
  C      -8.507717     -0.977173      5.180715
  H      -3.821968     -5.120018      7.183637
  H      -3.349560     -3.452664      7.579376
  H      -4.055973     -4.498551      8.838089
  H      -6.246737     -4.527762      7.622807
  H      -5.770111     -2.866628      8.003382
  H      -6.236168     -5.344191      5.282569
  H      -6.399168     -4.732531      2.878852
  H      -5.827375     -2.410903      2.141774
  H      -2.864942     -1.122193      5.381860
  H      -5.054499     -1.326354      6.244330
  H       0.258050      8.566109      0.088543
  H      -1.051064      7.358000      0.060700
  H      -1.430233      9.082989     -0.139774
  H      -0.261383      7.808709      2.421905
  H      -0.636429      9.526741      2.221495
  H      -3.006191     10.294242      2.075298
  H      -5.368584      9.845072      2.681007
  H      -6.088439      7.529254      3.287487
  H      -2.376406      6.015556      5.169961
  H      -2.040188      6.157534      2.722842
  H     -11.261002     -3.401735      6.393119
  H     -10.617770     -2.093421      7.413888
  H     -10.417259     -3.797137      7.922124
  H      -8.893909     -4.221451      5.957476
  H      -8.257661     -2.916265      6.972379
  H     -10.051486     -3.654072      3.764344
  H     -10.183441     -2.069927      1.843564
  H      -9.320020      0.270820      2.093842
  H      -7.224131      2.739123      6.331509
  H      -8.013398     -0.668949      6.111499
  N      -3.180041      2.337683      3.058247
  H      -3.300585      1.922297      2.128976
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5658575-UqKm/orca E -6148.984773996212
  N      -2.398549      0.937255      5.717598
  Mo     -3.469180      2.472917      4.739895
  N      -5.131242      2.603432      5.898656
  C      -4.960965      3.451278      7.095653
  C      -4.156442      2.774302      8.224516
  N      -2.756076      2.568746      7.929381
  C      -2.155800      1.263150      8.103215
  C      -1.471718      0.769958      6.809240
  C      -1.853506      3.704071      7.987356
  C      -1.159655      3.981301      6.631458
  N      -2.164851      3.903450      5.598795
  H      -0.543117      1.316395      6.611303
  H      -1.208296     -0.295963      6.913167
  H      -1.419192      1.259078      8.926192
  H      -2.945371      0.545384      8.360210
  H      -0.709747      4.987297      6.635507
  H      -0.358324      3.261681      6.435179
  H      -2.425959      4.598088      8.270847
  H      -1.079737      3.552794      8.759873
  H      -5.954987      3.713931      7.489399
  H      -4.484658      4.402432      6.822473
  H      -4.612573      1.800512      8.446292
  H      -4.289589      3.409248      9.119540
  C      -4.178117     -4.179143      7.854481
  C      -5.573207     -3.703969      7.427771
  C      -5.634785     -3.370762      5.960423
  C      -5.992848     -4.336769      5.013990
  C      -6.047933     -4.022318      3.655553
  C      -5.702223     -2.749164      3.213192
  C      -5.293063     -1.780671      4.138078
  C      -4.888354     -0.445997      3.605621
  O      -5.210427     -0.040906      2.499385
  N      -4.069291      0.338166      4.445183
  C      -3.073972     -0.086462      5.207777
  C      -5.299082     -2.092710      5.505932
  C      -0.847546      8.432102      0.381142
  C      -0.981979      8.575243      1.905467
  C      -2.389519      8.300077      2.376908
  C      -3.358818      9.316420      2.387492
  C      -4.683395      9.048352      2.749337
  C      -5.069116      7.755053      3.105400
  C      -4.109735      6.730519      3.125543
  C      -4.560703      5.344315      3.451443
  O      -5.566370      4.838317      2.972870
  N      -3.801218      4.617729      4.383553
  C      -2.713936      4.976165      5.052477
  C      -2.779445      7.008246      2.763860
  C     -10.468618     -3.038010      7.009979
  C      -9.122003     -3.133031      6.289261
  C      -9.066168     -2.240082      5.082438
  C      -9.629582     -2.642995      3.866750
  C      -9.678449     -1.777324      2.776868
  C      -9.186692     -0.480560      2.890540
  C      -8.576216     -0.079694      4.081226
  C      -8.041940      1.303667      4.196258
  O      -8.633060      2.287179      3.760619
  N      -6.749940      1.404262      4.706734
  C      -6.429834      2.225863      5.636291
  C      -8.504367     -0.963728      5.159466
  H      -3.882085     -5.076152      7.293456
  H      -3.424098     -3.400470      7.663095
  H      -4.157088     -4.422758      8.925408
  H      -6.312407     -4.484785      7.660373
  H      -5.851230     -2.815427      8.015282
  H      -6.260597     -5.340823      5.350768
  H      -6.364064     -4.777006      2.937857
  H      -5.759593     -2.478007      2.160808
  H      -2.818215     -1.144710      5.361231
  H      -5.077096     -1.318532      6.239313
  H       0.184504      8.641732      0.060637
  H      -1.110216      7.410396      0.059329
  H      -1.519223      9.133684     -0.141569
  H      -0.283462      7.878757      2.404075
  H      -0.687301      9.596090      2.204589
  H      -3.070696     10.333708      2.100247
  H      -5.421902      9.854139      2.745976
  H      -6.104436      7.523873      3.364352
  H      -2.338641      6.001953      5.177325
  H      -2.043149      6.197556      2.731491
  H     -11.288663     -3.330233      6.344651
  H     -10.658382     -2.008597      7.344916
  H     -10.491748     -3.695968      7.885629
  H      -8.941284     -4.175535      5.985857
  H      -8.316361     -2.854780      6.979778
  H     -10.042353     -3.649040      3.776831
  H     -10.119534     -2.111264      1.839420
  H      -9.243161      0.220306      2.060787
  H      -7.187956      2.706657      6.275122
  H      -8.026864     -0.640304      6.084455
  N      -3.191706      2.324040      3.047449
  H      -3.385088      1.876386      2.161411
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5658575-UqKm/orca E -6148.971421700601
  N      -2.393508      0.944262      5.697202
  Mo     -3.475670      2.476565      4.730376
  N      -5.146477      2.598649      5.864734
  C      -4.985177      3.448570      7.061513
  C      -4.177580      2.777924      8.189788
  N      -2.775394      2.579413      7.898398
  C      -2.165959      1.278511      8.081695
  C      -1.471077      0.783997      6.794130
  C      -1.878746      3.719435      7.961663
  C      -1.166248      3.989938      6.612479
  N      -2.160616      3.911968      5.569047
  H      -0.544124      1.333677      6.599868
  H      -1.202960     -0.280676      6.901158
  H      -1.433282      1.283677      8.908301
  H      -2.951567      0.557318      8.339084
  H      -0.714682      4.995450      6.617382
  H      -0.362963      3.267764      6.428395
  H      -2.460866      4.613319      8.231206
  H      -1.115580      3.576254      8.748165
  H      -5.982329      3.704203      7.451479
  H      -4.516947      4.402876      6.788131
  H      -4.626115      1.801187      8.412486
  H      -4.318129      3.413297      9.083475
  C      -4.155796     -4.172866      7.852566
  C      -5.552723     -3.698045      7.430508
  C      -5.620824     -3.369789      5.961807
  C      -5.990919     -4.335421      5.018366
  C      -6.049901     -4.024512      3.658465
  C      -5.698763     -2.755242      3.211643
  C      -5.283179     -1.786683      4.133860
  C      -4.872065     -0.458662      3.595465
  O      -5.161652     -0.067603      2.475151
  N      -4.073136      0.335121      4.443948
  C      -3.075959     -0.082279      5.201580
  C      -5.280032     -2.095572      5.502844
  C      -0.811448      8.422860      0.436591
  C      -0.964464      8.535771      1.958856
  C      -2.377956      8.278741      2.411581
  C      -3.330207      9.305699      2.433483
  C      -4.659333      9.053877      2.780507
  C      -5.065666      7.766878      3.114986
  C      -4.121785      6.731885      3.127693
  C      -4.586946      5.353067      3.454639
  O      -5.605541      4.859342      2.993448
  N      -3.816511      4.621377      4.374471
  C      -2.718994      4.983224      5.029993
  C      -2.789172      6.993452      2.773888
  C     -10.437540     -3.020604      7.055442
  C      -9.097934     -3.117666      6.314190
  C      -9.062011     -2.234800      5.095153
  C      -9.640775     -2.651205      3.889317
  C      -9.702518     -1.798278      2.787726
  C      -9.206102     -0.501026      2.879144
  C      -8.583350     -0.085152      4.060160
  C      -8.050395      1.301566      4.151070
  O      -8.643750      2.276082      3.707783
  N      -6.757280      1.416213      4.653110
  C      -6.445711      2.228992      5.588284
  C      -8.500936     -0.956097      5.150759
  H      -3.862669     -5.072039      7.293030
  H      -3.401549     -3.395698      7.655377
  H      -4.129552     -4.412920      8.924614
  H      -6.292776     -4.476635      7.668052
  H      -5.828131     -2.807366      8.016819
  H      -6.262587     -5.336701      5.358707
  H      -6.373042     -4.779305      2.943180
  H      -5.754096     -2.487675      2.157579
  H      -2.814607     -1.138579      5.360074
  H      -5.046365     -1.322020      6.234989
  H       0.225345      8.616538      0.130460
  H      -1.088930      7.420166      0.088906
  H      -1.458839      9.144964     -0.073565
  H      -0.287978      7.821022      2.445944
  H      -0.656839      9.539509      2.282732
  H      -3.025110     10.318052      2.166909
  H      -5.383811      9.868184      2.786445
  H      -6.103065      7.549216      3.369064
  H      -2.345177      6.010001      5.152257
  H      -2.064942      6.176113      2.736261
  H     -11.268581     -3.320209      6.403215
  H     -10.628160     -1.989180      7.384453
  H     -10.445222     -3.671799      7.939809
  H      -8.916467     -4.162330      6.017826
  H      -8.281302     -2.832422      6.992507
  H     -10.053906     -3.659129      3.816406
  H     -10.154696     -2.143570      1.858136
  H      -9.272486      0.189503      2.039945
  H      -7.205939      2.712776      6.223517
  H      -8.011104     -0.623200      6.067589
  N      -3.269374      2.310537      3.010613
  H      -3.536355      1.816977      2.134923
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5658575-UqKm/orca E -6148.984960104798
  N      -2.385220      0.947551      5.691456
  Mo     -3.469088      2.474803      4.719194
  N      -5.163289      2.598305      5.817552
  C      -5.017701      3.455150      7.011890
  C      -4.215538      2.792489      8.149339
  N      -2.805462      2.596221      7.871275
  C      -2.189995      1.299711      8.075538
  C      -1.472796      0.798516      6.800960
  C      -1.911204      3.738725      7.941918
  C      -1.169055      3.996667      6.602896
  N      -2.146274      3.918781      5.541628
  H      -0.543821      1.349252      6.614760
  H      -1.202052     -0.265060      6.916047
  H      -1.466926      1.316896      8.914072
  H      -2.976977      0.577495      8.331029
  H      -0.713956      5.001041      6.607754
  H      -0.362728      3.270790      6.438608
  H      -2.502579      4.634803      8.190657
  H      -1.164760      3.603096      8.749452
  H      -6.022690      3.708646      7.388478
  H      -4.551614      4.410449      6.737217
  H      -4.660332      1.814330      8.373845
  H      -4.369375      3.431871      9.041209
  C      -4.121271     -4.199916      7.827975
  C      -5.523270     -3.711415      7.432558
  C      -5.613999     -3.377595      5.964509
  C      -6.016660     -4.334614      5.018577
  C      -6.087407     -4.019718      3.658397
  C      -5.717104     -2.755213      3.213483
  C      -5.277294     -1.793970      4.138884
  C      -4.849565     -0.474909      3.598202
  O      -5.112220     -0.087457      2.469371
  N      -4.065757      0.326381      4.453466
  C      -3.073827     -0.082668      5.208950
  C      -5.259937     -2.106153      5.507597
  C      -0.782428      8.439585      0.482795
  C      -0.946284      8.525752      2.002696
  C      -2.361887      8.270889      2.444000
  C      -3.307275      9.300409      2.482990
  C      -4.638270      9.052009      2.819900
  C      -5.052609      7.765736      3.128902
  C      -4.114314      6.727337      3.126558
  C      -4.588524      5.351117      3.439557
  O      -5.615490      4.870062      2.992042
  N      -3.812896      4.615187      4.350579
  C      -2.708955      4.984750      4.998954
  C      -2.781309      6.986194      2.779617
  C     -10.389350     -2.994021      7.113467
  C      -9.060366     -3.096434      6.343444
  C      -9.050291     -2.227220      5.107467
  C      -9.654294     -2.660188      3.915530
  C      -9.738318     -1.822036      2.798591
  C      -9.236427     -0.522994      2.859747
  C      -8.590781     -0.088991      4.027038
  C      -8.060806      1.303255      4.087978
  O      -8.668918      2.270053      3.646205
  N      -6.764110      1.436558      4.579220
  C      -6.461814      2.236960      5.522349
  C      -8.488620     -0.945182      5.133655
  H      -3.844706     -5.099982      7.258951
  H      -3.362734     -3.428505      7.620909
  H      -4.076257     -4.444306      8.899423
  H      -6.268636     -4.483356      7.678588
  H      -5.781983     -2.819653      8.028206
  H      -6.300735     -5.333205      5.357756
  H      -6.433172     -4.768735      2.941234
  H      -5.774526     -2.486014      2.157964
  H      -2.808790     -1.136148      5.382962
  H      -4.999376     -1.339166      6.243777
  H       0.255881      8.632552      0.185322
  H      -1.061655      7.448719      0.114233
  H      -1.420919      9.171721     -0.015136
  H      -0.279042      7.801777      2.478831
  H      -0.636009      9.518606      2.346491
  H      -2.995183     10.312005      2.237800
  H      -5.356586      9.868690      2.839552
  H      -6.090789      7.551429      3.378288
  H      -2.337692      6.013112      5.115724
  H      -2.061648      6.168834      2.728405
  H     -11.236542     -3.303719      6.479962
  H     -10.579811     -1.959305      7.434325
  H     -10.376602     -3.635551      8.010348
  H      -8.879177     -4.144903      6.056890
  H      -8.228318     -2.802420      7.004792
  H     -10.069767     -3.670660      3.866139
  H     -10.210424     -2.181223      1.880294
  H      -9.320849      0.155457      2.008127
  H      -7.225182      2.722638      6.155353
  H      -7.980111     -0.600319      6.039610
  N      -3.317102      2.265197      2.992145
  H      -3.681063      1.667365      2.156112
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5658575-UqKm/orca E -6148.987914841877
  N      -2.355830      0.951621      5.707799
  Mo     -3.444763      2.483050      4.748928
  N      -5.160009      2.575719      5.811601
  C      -5.038498      3.418998      7.021733
  C      -4.246452      2.752443      8.163548
  N      -2.830812      2.576418      7.899577
  C      -2.206831      1.284325      8.104396
  C      -1.463800      0.798871      6.835731
  C      -1.950992      3.729347      7.999464
  C      -1.180050      4.004384      6.678394
  N      -2.131717      3.928577      5.590394
  H      -0.534177      1.358889      6.671345
  H      -1.187317     -0.263456      6.946300
  H      -1.497244      1.303271      8.956072
  H      -2.992495      0.552026      8.341651
  H      -0.731604      5.010903      6.704208
  H      -0.364335      3.285792      6.525963
  H      -2.561218      4.615887      8.239114
  H      -1.220359      3.600393      8.825557
  H      -6.051729      3.655437      7.388078
  H      -4.578430      4.383862      6.764841
  H      -4.685287      1.766532      8.369550
  H      -4.418724      3.379689      9.062207
  C      -4.138560     -4.213857      7.786919
  C      -5.533306     -3.712143      7.381794
  C      -5.610073     -3.372010      5.914594
  C      -6.024122     -4.320408      4.963968
  C      -6.078738     -4.001307      3.604365
  C      -5.681025     -2.741539      3.165073
  C      -5.232631     -1.788173      4.095637
  C      -4.774379     -0.473365      3.564727
  O      -4.989192     -0.088623      2.420377
  N      -4.026561      0.329749      4.450829
  C      -3.037395     -0.078478      5.215159
  C      -5.231109     -2.104611      5.463385
  C      -0.858431      8.386337      0.387681
  C      -0.962289      8.493716      1.912869
  C      -2.362225      8.260588      2.411002
  C      -3.290712      9.300177      2.467105
  C      -4.611393      9.069563      2.849922
  C      -5.031613      7.791422      3.188199
  C      -4.108109      6.743938      3.173284
  C      -4.589357      5.375828      3.513306
  O      -5.628401      4.900526      3.082180
  N      -3.802190      4.631492      4.409189
  C      -2.701982      4.998133      5.062208
  C      -2.786160      6.984776      2.780405
  C     -10.385481     -2.922570      7.157190
  C      -9.058780     -3.046108      6.387165
  C      -9.047397     -2.207936      5.131191
  C      -9.655874     -2.666707      3.951310
  C      -9.735314     -1.855777      2.816011
  C      -9.224603     -0.558555      2.846297
  C      -8.576555     -0.099442      4.002088
  C      -8.042770      1.292032      4.035026
  O      -8.647069      2.249488      3.577852
  N      -6.746685      1.431618      4.521602
  C      -6.457303      2.219079      5.484054
  C      -8.478601     -0.928478      5.126888
  H      -3.865175     -5.114046      7.216834
  H      -3.372542     -3.447721      7.589051
  H      -4.104476     -4.462536      8.857445
  H      -6.285412     -4.480000      7.618820
  H      -5.789631     -2.820674      7.978626
  H      -6.328287     -5.315798      5.298571
  H      -6.431995     -4.743539      2.883416
  H      -5.722596     -2.470438      2.110439
  H      -2.763833     -1.130414      5.383486
  H      -4.961200     -1.343280      6.202581
  H       0.168471      8.561588      0.048116
  H      -1.165223      7.395388      0.047441
  H      -1.503220      9.119826     -0.099586
  H      -0.289059      7.767915      2.376998
  H      -0.626685      9.486492      2.228399
  H      -2.974772     10.305160      2.196195
  H      -5.317941      9.893391      2.880555
  H      -6.062486      7.590586      3.470993
  H      -2.340800      6.027298      5.197819
  H      -2.081562      6.159202      2.713597
  H     -11.235525     -3.247287      6.534052
  H     -10.570090     -1.880098      7.451959
  H     -10.372804     -3.540541      8.069541
  H      -8.883153     -4.101431      6.126005
  H      -8.224322     -2.736353      7.038801
  H     -10.077729     -3.675785      3.925933
  H     -10.210380     -2.234634      1.907368
  H      -9.306380      0.099650      1.980409
  H      -7.230890      2.694347      6.110420
  H      -7.966624     -0.564177      6.022997
  N      -3.286798      2.312156      3.027304
  H      -3.653407      1.757401      2.213518
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5658575-UqKm/orca E -6148.988242345586
  N      -2.304692      0.936233      5.696382
  Mo     -3.427059      2.471449      4.774858
  N      -5.108515      2.551084      5.880111
  C      -4.971127      3.380565      7.097232
  C      -4.151316      2.707521      8.208015
  N      -2.750798      2.544099      7.896250
  C      -2.113975      1.255756      8.086133
  C      -1.398322      0.778616      6.806435
  C      -1.879540      3.704756      7.989943
  C      -1.137258      3.997058      6.666355
  N      -2.097276      3.920930      5.591217
  H      -0.476403      1.340919      6.629303
  H      -1.119675     -0.284169      6.905813
  H      -1.389328      1.279171      8.917259
  H      -2.885079      0.517899      8.338631
  H      -0.697028      5.006982      6.696409
  H      -0.322100      3.289070      6.493886
  H      -2.489324      4.582350      8.244391
  H      -1.137119      3.578893      8.796733
  H      -5.973327      3.604122      7.487350
  H      -4.524232      4.351656      6.841472
  H      -4.578146      1.716734      8.413711
  H      -4.297832      3.322365      9.114852
  C      -4.208804     -4.144709      7.843107
  C      -5.599487     -3.682383      7.393409
  C      -5.640520     -3.357311      5.922873
  C      -6.018321     -4.314782      4.975659
  C      -6.044416     -4.005880      3.614692
  C      -5.649494     -2.747547      3.170545
  C      -5.227487     -1.786313      4.098708
  C      -4.751171     -0.474976      3.573956
  O      -4.955664     -0.081058      2.429599
  N      -4.003802      0.320324      4.468841
  C      -2.993792     -0.092230      5.212497
  C      -5.260991     -2.092335      5.466915
  C      -0.886726      8.325119      0.401251
  C      -1.025300      8.543654      1.921711
  C      -2.432033      8.281597      2.397277
  C      -3.405290      9.300726      2.368423
  C      -4.728752      9.045052      2.738510
  C      -5.109734      7.761663      3.141392
  C      -4.147023      6.734790      3.198046
  C      -4.605996      5.360866      3.568050
  O      -5.647376      4.869379      3.148941
  N      -3.798985      4.618658      4.452812
  C      -2.690529      4.989221      5.089276
  C      -2.817898      6.999146      2.828459
  C     -10.476480     -2.911556      7.064301
  C      -9.132863     -3.050851      6.338078
  C      -9.071650     -2.196985      5.097734
  C      -9.654486     -2.629646      3.897422
  C      -9.699561     -1.798640      2.774058
  C      -9.182253     -0.506502      2.837254
  C      -8.553833     -0.076249      4.013964
  C      -8.015800      1.311753      4.082647
  O      -8.629900      2.291121      3.645353
  N      -6.705912      1.423454      4.572461
  C      -6.403104      2.191021      5.560050
  C      -8.486778     -0.926967      5.126645
  H      -3.898753     -5.043283      7.293516
  H      -3.457520     -3.362778      7.655758
  H      -4.199870     -4.380569      8.916053
  H      -6.338781     -4.463764      7.620825
  H      -5.890906     -2.791932      7.970127
  H      -6.321405     -5.308769      5.313120
  H      -6.371847     -4.755187      2.896812
  H      -5.665441     -2.486305      2.114862
  H      -2.710265     -1.142901      5.370305
  H      -5.019874     -1.325190      6.200741
  H       0.144872      8.530534      0.077823
  H      -1.137035      7.280158      0.122105
  H      -1.568264      8.997294     -0.161783
  H      -0.319127      7.873060      2.459424
  H      -0.739425      9.585116      2.177771
  H      -3.119759     10.310133      2.044845
  H      -5.470420      9.852216      2.703544
  H      -6.144998      7.539035      3.405556
  H      -2.337457      6.021313      5.226281
  H      -2.078152      6.185417      2.823514
  H     -11.304001     -3.213517      6.411385
  H     -10.656116     -1.866374      7.367464
  H     -10.502744     -3.541427      7.965143
  H      -8.964227     -4.107936      6.067434
  H      -8.320173     -2.764234      7.018288
  H     -10.087136     -3.632131      3.846743
  H     -10.157097     -2.156225      1.849969
  H      -9.240272      0.168687      1.981051
  H      -7.169419      2.641519      6.207797
  H      -7.995988     -0.582072      6.040789
  N      -3.273852      2.340758      3.048716
  H      -3.608449      1.847672      2.221770
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5658575-UqKm/orca E -6148.990368252389
  N      -2.307421      0.944230      5.713269
  Mo     -3.428796      2.472851      4.776940
  N      -5.134348      2.557269      5.854159
  C      -5.021709      3.397242      7.066334
  C      -4.209983      2.734763      8.192582
  N      -2.802315      2.569494      7.889357
  C      -2.164246      1.285211      8.108406
  C      -1.421182      0.797168      6.845239
  C      -1.934916      3.732671      7.991795
  C      -1.158455      4.010509      6.680382
  N      -2.094281      3.928478      5.581328
  H      -0.494486      1.358527      6.680959
  H      -1.142297     -0.263875      6.958879
  H      -1.452876      1.320518      8.955404
  H      -2.940445      0.548916      8.356143
  H      -0.717194      5.020375      6.710893
  H      -0.337558      3.298614      6.533635
  H      -2.556235      4.612662      8.219720
  H      -1.211464      3.617130      8.822333
  H      -6.034288      3.617244      7.441044
  H      -4.576874      4.368302      6.807115
  H      -4.636167      1.744961      8.402273
  H      -4.365755      3.354965      9.096343
  C      -4.194999     -4.198757      7.800598
  C      -5.586718     -3.726713      7.361499
  C      -5.632908     -3.381740      5.895317
  C      -6.023110     -4.323615      4.935877
  C      -6.047274     -3.998691      3.577481
  C      -5.640863     -2.739365      3.148533
  C      -5.214605     -1.791522      4.089853
  C      -4.732414     -0.480168      3.580541
  O      -4.919068     -0.082618      2.436372
  N      -4.003246      0.318140      4.487223
  C      -2.995309     -0.088117      5.233152
  C      -5.246379     -2.113837      5.455009
  C      -0.909727      8.346190      0.358486
  C      -1.002621      8.492309      1.883615
  C      -2.400490      8.253754      2.394747
  C      -3.343998      9.291439      2.429986
  C      -4.663145      9.057064      2.826951
  C      -5.067524      7.777557      3.198399
  C      -4.130908      6.732604      3.200120
  C      -4.606642      5.366487      3.565688
  O      -5.665306      4.899346      3.172074
  N      -3.799537      4.617970      4.441462
  C      -2.693613      4.993261      5.078407
  C      -2.808601      6.975887      2.797205
  C     -10.416133     -2.868362      7.130629
  C      -9.090987     -3.023305      6.368691
  C      -9.055026     -2.188720      5.116480
  C      -9.672144     -2.635095      3.936769
  C      -9.731830     -1.825412      2.802310
  C      -9.192192     -0.541863      2.832699
  C      -8.535806     -0.095460      3.989399
  C      -7.991839      1.291192      4.026543
  O      -8.588518      2.250317      3.555510
  N      -6.699929      1.423444      4.533137
  C      -6.421751      2.192525      5.516210
  C      -8.456654     -0.924228      5.114300
  H      -3.888539     -5.090836      7.237689
  H      -3.442743     -3.416468      7.621629
  H      -4.181736     -4.449308      8.870323
  H      -6.326808     -4.509234      7.579875
  H      -5.875383     -2.843186      7.951627
  H      -6.333673     -5.319007      5.261334
  H      -6.381825     -4.737093      2.849815
  H      -5.648927     -2.467448      2.093828
  H      -2.709853     -1.136688      5.405096
  H      -4.998318     -1.357423      6.199189
  H       0.116424      8.529622      0.009194
  H      -1.204744      7.335337      0.041773
  H      -1.574743      9.061885     -0.144592
  H      -0.310047      7.782675      2.362461
  H      -0.676980      9.502952      2.174172
  H      -3.039964     10.297876      2.132506
  H      -5.381620      9.878831      2.840685
  H      -6.098582      7.572865      3.489541
  H      -2.347478      6.027474      5.217210
  H      -2.091533      6.150494      2.747912
  H     -11.269033     -3.175595      6.504205
  H     -10.578198     -1.822142      7.425670
  H     -10.421925     -3.483252      8.040366
  H      -8.939563     -4.081562      6.105909
  H      -8.252714     -2.733279      7.024234
  H     -10.117731     -3.632372      3.910688
  H     -10.214739     -2.194275      1.894154
  H      -9.260912      0.116785      1.967176
  H      -7.202699      2.639802      6.152668
  H      -7.942371     -0.568111      6.012219
  N      -3.268452      2.324186      3.068666
  H      -3.625068      1.809371      2.262370
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5658575-UqKm/orca E -6141.549414045013
  N      -2.276447      0.956839      5.744421
  Mo     -3.421767      2.483866      4.833858
  N      -5.125726      2.554795      5.904898
  C      -5.015944      3.386968      7.121774
  C      -4.191946      2.724251      8.234836
  N      -2.787885      2.572832      7.910938
  C      -2.136780      1.295419      8.136009
  C      -1.389165      0.813067      6.874735
  C      -1.929318      3.743296      8.020562
  C      -1.144675      4.024504      6.717045
  N      -2.072859      3.941868      5.611763
  H      -0.465617      1.379923      6.711734
  H      -1.105208     -0.247074      6.987267
  H      -1.427335      1.341452      8.983593
  H      -2.905907      0.551827      8.385138
  H      -0.706846      5.035643      6.753534
  H      -0.321084      3.316205      6.574617
  H      -2.558644      4.618363      8.240862
  H      -1.213416      3.635396      8.857541
  H      -6.027866      3.595235      7.501729
  H      -4.580977      4.364552      6.866520
  H      -4.608410      1.729193      8.441184
  H      -4.341825      3.336482      9.144355
  C      -4.174620     -4.217341      7.822432
  C      -5.565309     -3.728042      7.391099
  C      -5.613237     -3.377038      5.925855
  C      -6.024941     -4.309369      4.960645
  C      -6.046674     -3.979312      3.602580
  C      -5.622300     -2.723540      3.179486
  C      -5.185783     -1.782824      4.127123
  C      -4.702919     -0.471889      3.626781
  O      -4.877732     -0.072376      2.482505
  N      -3.989005      0.325479      4.546105
  C      -2.969831     -0.077342      5.275288
  C      -5.210404     -2.111409      5.491713
  C      -1.048017      8.242398      0.225021
  C      -1.050389      8.394308      1.750550
  C      -2.420726      8.198526      2.343721
  C      -3.324378      9.257046      2.422706
  C      -4.623984      9.060306      2.891153
  C      -5.046691      7.798117      3.292851
  C      -4.145688      6.732930      3.256484
  C      -4.637214      5.383962      3.659316
  O      -5.719207      4.930294      3.310221
  N      -3.806259      4.628986      4.509016
  C      -2.690184      5.005959      5.128678
  C      -2.845188      6.939347      2.779562
  C     -10.434301     -2.899147      7.008215
  C      -9.102520     -3.030414      6.261391
  C      -9.057920     -2.160876      5.032796
  C      -9.661841     -2.575903      3.840206
  C      -9.713294     -1.737132      2.726129
  C      -9.172725     -0.457240      2.789843
  C      -8.528090     -0.042059      3.959390
  C      -7.980633      1.340710      4.028280
  O      -8.565214      2.313106      3.565907
  N      -6.690003      1.457146      4.541397
  C      -6.413138      2.199194      5.549420
  C      -8.462789     -0.898026      5.064753
  H      -3.879939     -5.111832      7.254002
  H      -3.412902     -3.441862      7.643568
  H      -4.159159     -4.471508      8.891699
  H      -6.316060     -4.503442      7.607803
  H      -5.842801     -2.842575      7.987177
  H      -6.351174     -5.302128      5.281292
  H      -6.396032     -4.711210      2.870185
  H      -5.625223     -2.448991      2.124370
  H      -2.676549     -1.124140      5.444687
  H      -4.946216     -1.360384      6.241006
  H      -0.041855      8.393129     -0.184212
  H      -1.391045      7.245815     -0.063243
  H      -1.712009      8.972867     -0.246272
  H      -0.360286      7.669958      2.197434
  H      -0.678425      9.391152      2.011372
  H      -3.006774     10.249753      2.100768
  H      -5.312266      9.897945      2.937270
  H      -6.062966      7.623229      3.640103
  H      -2.351366      6.041484      5.273548
  H      -2.162011      6.099222      2.694726
  H     -11.272095     -3.189517      6.364965
  H     -10.608676     -1.860748      7.327346
  H     -10.446995     -3.540617      7.900156
  H      -8.940600     -4.081592      5.974291
  H      -8.278160     -2.759693      6.932868
  H     -10.104200     -3.571712      3.787636
  H     -10.184999     -2.082168      1.807734
  H      -9.230418      0.221645      1.940133
  H      -7.196402      2.634037      6.190356
  H      -7.959196     -0.566588      5.973591
  N      -3.312300      2.328784      3.110786
  H      -3.717694      1.783246      2.320726
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5658575-UqKm/orca E -6148.989452373064
  N      -2.244432      0.968155      5.775231
  Mo     -3.412285      2.494115      4.890725
  N      -5.114989      2.551815      5.954995
  C      -5.008105      3.375736      7.176764
  C      -4.172604      2.712419      8.276585
  N      -2.772622      2.574418      7.932276
  C      -2.109380      1.303640      8.163532
  C      -1.356881      0.826833      6.904446
  C      -1.922564      3.751724      8.049697
  C      -1.129011      4.036264      6.754600
  N      -2.048671      3.953653      5.642281
  H      -0.435992      1.398579      6.743344
  H      -1.068688     -0.232647      7.015842
  H      -1.402407      1.359797      9.012116
  H      -2.871993      0.553206      8.413530
  H      -0.694290      5.048483      6.797530
  H      -0.302963      3.331274      6.616923
  H      -2.559563      4.621967      8.262148
  H      -1.214794      3.651019      8.893375
  H      -6.019286      3.572531      7.561618
  H      -4.582583      4.359670      6.925948
  H      -4.579822      1.712331      8.479239
  H      -4.316373      3.316579      9.191826
  C      -4.166564     -4.230533      7.846524
  C      -5.554527     -3.723813      7.418855
  C      -5.600011     -3.368418      5.954263
  C      -6.031194     -4.291414      4.983621
  C      -6.046303     -3.957661      3.625770
  C      -5.601941     -2.706505      3.208180
  C      -5.157273     -1.772511      4.161937
  C      -4.671330     -0.462736      3.671025
  O      -4.831875     -0.060924      2.526443
  N      -3.973264      0.332558      4.604097
  C      -2.943669     -0.067456      5.316795
  C      -5.178673     -2.106172      5.525863
  C      -1.198875      8.137967      0.097266
  C      -1.109774      8.293152      1.617911
  C      -2.446263      8.140466      2.292092
  C      -3.306727      9.219057      2.412457
  C      -4.581760      9.060386      2.951783
  C      -5.020865      7.816621      3.385316
  C      -4.158132      6.731866      3.312920
  C      -4.663129      5.401042      3.754328
  O      -5.766757      4.961603      3.451395
  N      -3.809261      4.639248      4.577093
  C      -2.683160      5.017277      5.179546
  C      -2.884708      6.901086      2.762831
  C     -10.444161     -2.928698      6.884707
  C      -9.106041     -3.035559      6.153310
  C      -9.054223     -2.131557      4.949264
  C      -9.644920     -2.515520      3.744921
  C      -9.689389     -1.648234      2.651901
  C      -9.149145     -0.372283      2.748497
  C      -8.516279      0.012025      3.929756
  C      -7.966409      1.390669      4.029955
  O      -8.539598      2.375823      3.576771
  N      -6.677146      1.491893      4.549290
  C      -6.402212      2.206044      5.581699
  C      -8.463635     -0.870607      5.014910
  H      -3.882707     -5.128090      7.274462
  H      -3.394600     -3.462523      7.668682
  H      -4.151826     -4.487127      8.915560
  H      -6.316911     -4.491205      7.632940
  H      -5.821805     -2.835725      8.019029
  H      -6.374658     -5.280694      5.299767
  H      -6.408568     -4.683337      2.888861
  H      -5.595573     -2.431194      2.153546
  H      -2.643214     -1.112637      5.483500
  H      -4.899756     -1.360325      6.279863
  H      -0.217374      8.255816     -0.371064
  H      -1.588021      7.157514     -0.159435
  H      -1.859658      8.883309     -0.342456
  H      -0.424242      7.554055      2.033132
  H      -0.693375      9.274385      1.845950
  H      -2.977198     10.197197      2.064875
  H      -5.237409      9.913318      3.028483
  H      -6.018397      7.671850      3.788156
  H      -2.351028      6.053720      5.331115
  H      -2.238192      6.046943      2.644541
  H     -11.266681     -3.202324      6.225576
  H     -10.631913     -1.898976      7.227603
  H     -10.462705     -3.596382      7.758052
  H      -8.932565     -4.078846      5.842182
  H      -8.295666     -2.784054      6.839704
  H     -10.083020     -3.509655      3.666171
  H     -10.149826     -1.969707      1.724148
  H      -9.196721      0.326343      1.915086
  H      -7.187922      2.628139      6.226837
  H      -7.970760     -0.563634      5.933732
  N      -3.354812      2.332069      3.154369
  H      -3.808990      1.755036      2.384572
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5658575-UqKm/orca E -6148.989228543497
  N      -2.284083      0.948395      5.752121
  Mo     -3.414471      2.482463      4.827118
  N      -5.148135      2.554077      5.855295
  C      -5.073215      3.388350      7.074234
  C      -4.266189      2.726739      8.204420
  N      -2.854078      2.573983      7.895819
  C      -2.208750      1.296455      8.151248
  C      -1.429022      0.803351      6.911789
  C      -1.999919      3.746852      8.029505
  C      -1.169543      4.022539      6.748817
  N      -2.061243      3.939795      5.610046
  H      -0.498131      1.364689      6.771664
  H      -1.154435     -0.257344      7.037147
  H      -1.520564      1.347829      9.018644
  H      -2.986098      0.557065      8.385981
  H      -0.730261      5.033181      6.797196
  H      -0.341033      3.309909      6.635193
  H      -2.641749      4.623360      8.221646
  H      -1.312340      3.644941      8.895722
  H      -6.097118      3.589087      7.434739
  H      -4.641571      4.367287      6.824140
  H      -4.684073      1.731582      8.402501
  H      -4.430776      3.336604      9.114471
  C      -4.249663     -4.291913      7.694031
  C      -5.633044     -3.805689      7.247935
  C      -5.655347     -3.418577      5.791351
  C      -6.047615     -4.322281      4.801455
  C      -6.040734     -3.959248      3.451986
  C      -5.603577     -2.697940      3.064375
  C      -5.184369     -1.783820      4.038516
  C      -4.674072     -0.465831      3.578603
  O      -4.797639     -0.048320      2.427694
  N      -3.989668      0.323460      4.531461
  C      -2.977850     -0.083183      5.276669
  C      -5.242785     -2.146720      5.393146
  C      -0.980768      8.279999      0.260644
  C      -1.012948      8.448981      1.787190
  C      -2.394652      8.230488      2.354873
  C      -3.335037      9.286504      2.410065
  C      -4.644086      9.073577      2.857466
  C      -5.044452      7.800616      3.260090
  C      -4.111406      6.739111      3.243516
  C      -4.601117      5.388881      3.644284
  O      -5.675923      4.944050      3.285052
  N      -3.783725      4.628385      4.494736
  C      -2.677664      5.005320      5.126279
  C      -2.797800      6.957530      2.789208
  C     -10.358723     -2.754748      7.241412
  C      -9.029786     -2.919113      6.478147
  C      -9.000789     -2.143647      5.184805
  C      -9.612783     -2.650582      4.021347
  C      -9.670810     -1.892742      2.849039
  C      -9.133764     -0.602151      2.821393
  C      -8.484615     -0.096583      3.963092
  C      -7.945564      1.294801      3.952413
  O      -8.530681      2.227610      3.436151
  N      -6.671148      1.450592      4.481334
  C      -6.427328      2.205482      5.470604
  C      -8.408899     -0.872650      5.126460
  H      -3.936467     -5.167760      7.112579
  H      -3.495967     -3.506482      7.547471
  H      -4.251585     -4.570622      8.756834
  H      -6.375157     -4.591437      7.432572
  H      -5.928047     -2.939344      7.857498
  H      -6.381268     -5.319074      5.093716
  H      -6.374399     -4.668620      2.700822
  H      -5.580199     -2.400087      2.015996
  H      -2.688387     -1.130539      5.454812
  H      -4.990415     -1.420599      6.160842
  H       0.035605      8.452732     -0.130702
  H      -1.297193      7.260249     -0.033204
  H      -1.662354      8.998218     -0.227496
  H      -0.303185      7.737057      2.250124
  H      -0.668595      9.466296      2.054129
  H      -3.032914     10.287501      2.087690
  H      -5.359650      9.908400      2.886345
  H      -6.069764      7.609215      3.590873
  H      -2.343699      6.042682      5.278433
  H      -2.084735      6.115057      2.724055
  H     -11.218075     -3.108132      6.632973
  H     -10.535807     -1.699390      7.483698
  H     -10.352150     -3.326077      8.182147
  H      -8.860850     -3.985736      6.268580
  H      -8.190328     -2.581728      7.119805
  H     -10.053827     -3.654101      4.039986
  H     -10.149570     -2.308391      1.953480
  H      -9.200219      0.016493      1.924632
  H      -7.227873      2.636833      6.097281
  H      -7.899573     -0.470392      6.012079
  N      -3.289133      2.333334      3.131612
  H      -3.672177      1.816608      2.369460
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5658575-UqKm/orca E -6148.990861913095
  N      -2.262605      0.953172      5.761620
  Mo     -3.406982      2.477149      4.836195
  N      -5.142550      2.550005      5.870796
  C      -5.066409      3.386477      7.087660
  C      -4.251980      2.730784      8.215367
  N      -2.840149      2.583752      7.897052
  C      -2.186200      1.311986      8.158339
  C      -1.403498      0.818309      6.919620
  C      -1.991660      3.761464      8.026154
  C      -1.163714      4.035027      6.743574
  N      -2.056143      3.943414      5.605936
  H      -0.475259      1.384441      6.776031
  H      -1.121849     -0.240132      7.048361
  H      -1.497678      1.373049      9.025809
  H      -2.959629      0.568690      8.397199
  H      -0.729770      5.047680      6.787843
  H      -0.331399      3.326843      6.631784
  H      -2.637873      4.635419      8.214982
  H      -1.302900      3.666814      8.892910
  H      -6.090082      3.585028      7.450937
  H      -4.637443      4.366642      6.834829
  H      -4.665316      1.734166      8.417271
  H      -4.413285      3.342215      9.126302
  C      -4.228236     -4.305956      7.716571
  C      -5.609762     -3.821354      7.263441
  C      -5.625051     -3.433189      5.808034
  C      -6.010460     -4.338430      4.817044
  C      -5.993386     -3.976783      3.468748
  C      -5.555987     -2.714529      3.083162
  C      -5.148456     -1.797475      4.058364
  C      -4.647976     -0.476809      3.599814
  O      -4.775238     -0.058695      2.450031
  N      -3.968208      0.315370      4.551985
  C      -2.953000     -0.083686      5.292379
  C      -5.213387     -2.159422      5.411746
  C      -0.994457      8.244033      0.265531
  C      -1.031005      8.426062      1.790324
  C      -2.413586      8.210950      2.354050
  C      -3.352062      9.265055      2.400518
  C      -4.661397      9.053915      2.845056
  C      -5.063037      7.783699      3.252871
  C      -4.131239      6.723868      3.244333
  C      -4.617033      5.373531      3.650116
  O      -5.694134      4.922939      3.300505
  N      -3.789467      4.618270      4.496799
  C      -2.682725      5.003427      5.123422
  C      -2.817641      6.941695      2.793846
  C     -10.359697     -2.756221      7.208661
  C      -9.048689     -2.925728      6.413073
  C      -9.036194     -2.122196      5.138297
  C      -9.686722     -2.591613      3.978233
  C      -9.759873     -1.808849      2.824834
  C      -9.197726     -0.530968      2.813604
  C      -8.512326     -0.061438      3.951647
  C      -7.954156      1.321431      3.958189
  O      -8.538941      2.268722      3.463668
  N      -6.675518      1.461659      4.484823
  C      -6.422992      2.203461      5.485899
  C      -8.423271     -0.861891      5.096265
  H      -3.910578     -5.181209      7.136324
  H      -3.474735     -3.519438      7.574329
  H      -4.235130     -4.585685      8.778309
  H      -6.351704     -4.608885      7.443881
  H      -5.909811     -2.955782      7.871872
  H      -6.344257     -5.336140      5.108019
  H      -6.319542     -4.688374      2.716521
  H      -5.523205     -2.417930      2.035714
  H      -2.657684     -1.128413      5.473904
  H      -4.968082     -1.431099      6.180140
  H       0.021849      8.414043     -0.123319
  H      -1.308387      7.223068     -0.020714
  H      -1.675076      8.956683     -0.230479
  H      -0.323266      7.719015      2.261533
  H      -0.688216      9.444714      2.049721
  H      -3.049218     10.263679      2.074141
  H      -5.375361      9.887414      2.867351
  H      -6.088152      7.594378      3.581032
  H      -2.355947      6.043065      5.273037
  H      -2.105691      6.101721      2.735926
  H     -11.238224     -3.081484      6.609923
  H     -10.513768     -1.705530      7.480969
  H     -10.342279     -3.347363      8.135513
  H      -8.903380     -3.988380      6.172746
  H      -8.188196     -2.618499      7.044803
  H     -10.146229     -3.585501      3.984060
  H     -10.268317     -2.195440      1.931569
  H      -9.274418      0.106481      1.932265
  H      -7.221776      2.631607      6.116848
  H      -7.886328     -0.487981      5.979689
  N      -3.284320      2.322788      3.137038
  H      -3.678742      1.792229      2.370278
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5658575-UqKm/orca E -6148.992106409656
  N      -2.260752      0.962532      5.745297
  Mo     -3.410403      2.489251      4.829763
  N      -5.140807      2.560985      5.871339
  C      -5.063934      3.399138      7.086748
  C      -4.243084      2.744839      8.209312
  N      -2.834987      2.594083      7.878312
  C      -2.182746      1.321409      8.141283
  C      -1.401562      0.826578      6.902518
  C      -1.981952      3.769207      8.006968
  C      -1.154306      4.039754      6.724512
  N      -2.048358      3.951495      5.588259
  H      -0.471936      1.390958      6.758143
  H      -1.121846     -0.232424      7.031391
  H      -1.493510      1.382288      9.008365
  H      -2.957432      0.579132      8.381824
  H      -0.717288      5.051479      6.767915
  H      -0.324453      3.329656      6.611866
  H      -2.624663      4.644910      8.195012
  H      -1.293782      3.672395      8.872925
  H      -6.086324      3.593940      7.453252
  H      -4.638573      4.381110      6.832448
  H      -4.656603      1.748966      8.415817
  H      -4.395391      3.356674      9.120488
  C      -4.292638     -4.290448      7.713907
  C      -5.666575     -3.787375      7.251753
  C      -5.669514     -3.402769      5.795432
  C      -6.066193     -4.306434      4.802445
  C      -6.040673     -3.947633      3.453203
  C      -5.585293     -2.689913      3.068382
  C      -5.166388     -1.775129      4.045786
  C      -4.655514     -0.458152      3.589653
  O      -4.782073     -0.035832      2.442312
  N      -3.975011      0.329462      4.546158
  C      -2.955544     -0.072997      5.278211
  C      -5.237424     -2.133798      5.399710
  C      -0.975941      8.232044      0.288279
  C      -1.022979      8.420081      1.812265
  C      -2.409093      8.213892      2.366678
  C      -3.339754      9.269728      2.404936
  C      -4.651316      9.065664      2.842552
  C      -5.061877      7.799938      3.251545
  C      -4.137585      6.738012      3.250203
  C      -4.627299      5.389655      3.657492
  O      -5.712155      4.944198      3.321119
  N      -3.792641      4.630423      4.495684
  C      -2.680388      5.013052      5.115784
  C      -2.822134      6.949990      2.807250
  C     -10.340519     -2.803339      7.214254
  C      -9.019885     -2.961218      6.441471
  C      -8.998937     -2.160283      5.163829
  C      -9.632229     -2.640061      4.003093
  C      -9.701495     -1.862390      2.844904
  C      -9.152404     -0.578894      2.830106
  C      -8.483040     -0.098365      3.968316
  C      -7.938195      1.291037      3.964774
  O      -8.528508      2.227916      3.456071
  N      -6.660996      1.449854      4.493433
  C      -6.416823      2.199486      5.491813
  C      -8.397696     -0.894245      5.118200
  H      -3.983398     -5.172695      7.136795
  H      -3.525967     -3.513884      7.574236
  H      -4.309012     -4.567418      8.776581
  H      -6.422916     -4.564627      7.429134
  H      -5.958737     -2.915182      7.857352
  H      -6.416652     -5.300463      5.092997
  H      -6.376897     -4.658049      2.699113
  H      -5.548298     -2.394912      2.019978
  H      -2.660806     -1.118414      5.457586
  H      -4.984456     -1.404754      6.169394
  H       0.042649      8.394773     -0.093633
  H      -1.292000      7.214008      0.003382
  H      -1.648592      8.944835     -0.214723
  H      -0.323717      7.712514      2.290618
  H      -0.677281      9.436145      2.070200
  H      -3.030036     10.265132      2.078328
  H      -5.359260      9.900946      2.858670
  H      -6.088380      7.617027      3.574320
  H      -2.353351      6.051949      5.267833
  H      -2.115472      6.109748      2.757075
  H     -11.201301     -3.138766      6.605713
  H     -10.509032     -1.752361      7.478520
  H     -10.331768     -3.392493      8.143226
  H      -8.861866     -4.024297      6.208480
  H      -8.175067     -2.645864      7.081682
  H     -10.082367     -3.638470      4.011509
  H     -10.196288     -2.257431      1.951401
  H      -9.225631      0.053938      1.944678
  H      -7.216959      2.618662      6.125753
  H      -7.874735     -0.512189      6.002139
  N      -3.300151      2.331192      3.125821
  H      -3.706418      1.790888      2.356482
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5658575-UqKm/orca E -6148.992846423655
  N      -2.260407      0.959666      5.730154
  Mo     -3.420469      2.484023      4.823774
  N      -5.140566      2.558719      5.872311
  C      -5.058612      3.399312      7.084854
  C      -4.228376      2.749572      8.201072
  N      -2.825959      2.597578      7.856195
  C      -2.170378      1.327232      8.122252
  C      -1.396325      0.828175      6.882901
  C      -1.973113      3.773355      7.978511
  C      -1.150497      4.038677      6.693456
  N      -2.047879      3.947503      5.561371
  H      -0.469359      1.392811      6.731045
  H      -1.114053     -0.229436      7.015054
  H      -1.477112      1.392465      8.983649
  H      -2.941450      0.585478      8.370322
  H      -0.712572      5.050361      6.732104
  H      -0.322849      3.326942      6.580103
  H      -2.614946      4.649533      8.164484
  H      -1.283132      3.679497      8.841481
  H      -6.077832      3.591293      7.457592
  H      -4.638666      4.381900      6.825807
  H      -4.638990      1.754471      8.414808
  H      -4.371543      3.363531      9.109976
  C      -4.182428     -4.291649      7.726066
  C      -5.573848     -3.793783      7.306395
  C      -5.624703     -3.410851      5.847449
  C      -6.047166     -4.318203      4.862505
  C      -6.063888     -3.962582      3.508539
  C      -5.625289     -2.704796      3.109793
  C      -5.179947     -1.786643      4.078773
  C      -4.677391     -0.472289      3.608777
  O      -4.821098     -0.059080      2.463000
  N      -3.989752      0.321228      4.553584
  C      -2.959036     -0.077401      5.273759
  C      -5.210159     -2.141373      5.438441
  C      -0.952703      8.232056      0.330678
  C      -1.023059      8.414929      1.853903
  C      -2.416863      8.210853      2.386783
  C      -3.345425      9.265255      2.412826
  C      -4.661993      9.061991      2.833159
  C      -5.078472      7.797877      3.238080
  C      -4.156389      6.737145      3.248272
  C      -4.645758      5.388437      3.656475
  O      -5.738699      4.947941      3.333064
  N      -3.804663      4.626857      4.487699
  C      -2.686039      5.008852      5.096464
  C      -2.836508      6.949066      2.821429
  C     -10.407669     -2.786493      7.158943
  C      -9.084189     -2.961817      6.402043
  C      -9.039747     -2.153447      5.132452
  C      -9.668924     -2.617207      3.966439
  C      -9.719744     -1.832080      2.814517
  C      -9.157468     -0.556278      2.812709
  C      -8.491793     -0.091643      3.956222
  C      -7.939906      1.294376      3.962056
  O      -8.518755      2.235446      3.447986
  N      -6.662810      1.446853      4.492930
  C      -6.416396      2.193645      5.496294
  C      -8.422459     -0.896401      5.099478
  H      -3.887898     -5.173660      7.138568
  H      -3.422041     -3.512957      7.563516
  H      -4.165510     -4.567898      8.790703
  H      -6.322277     -4.574301      7.506617
  H      -5.851750     -2.922108      7.922197
  H      -6.383167     -5.312836      5.163305
  H      -6.417714     -4.676747      2.761019
  H      -5.617036     -2.414624      2.059288
  H      -2.661419     -1.121976      5.453828
  H      -4.936507     -1.408883      6.202631
  H       0.071208      8.391148     -0.035339
  H      -1.267255      7.218873      0.037096
  H      -1.614468      8.947570     -0.177318
  H      -0.333751      7.704971      2.337363
  H      -0.679423      9.427230      2.120356
  H      -3.031010     10.259689      2.090965
  H      -5.368444      9.896431      2.839993
  H      -6.107985      7.616381      3.549085
  H      -2.357608      6.047675      5.245578
  H      -2.130055      6.110687      2.783820
  H     -11.261789     -3.104945      6.540024
  H     -10.563269     -1.733338      7.428964
  H     -10.417756     -3.381112      8.082361
  H      -8.940493     -4.026606      6.162579
  H      -8.245096     -2.663632      7.051418
  H     -10.131329     -3.608661      3.965112
  H     -10.212189     -2.214200      1.917073
  H      -9.218886      0.083766      1.932887
  H      -7.216081      2.612493      6.130666
  H      -7.902879     -0.526723      5.987848
  N      -3.320623      2.320447      3.113602
  H      -3.734867      1.779393      2.348336
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5658575-UqKm/orca E -6148.993489275785
  N      -2.257828      0.956038      5.731496
  Mo     -3.425228      2.483072      4.836003
  N      -5.137792      2.568076      5.894968
  C      -5.047867      3.409758      7.104953
  C      -4.208294      2.760795      8.212912
  N      -2.812959      2.601506      7.845942
  C      -2.159191      1.331229      8.118804
  C      -1.391226      0.826052      6.880764
  C      -1.953336      3.773652      7.963563
  C      -1.132885      4.030240      6.677641
  N      -2.033132      3.940679      5.548689
  H      -0.463715      1.387234      6.723032
  H      -1.110830     -0.231304      7.016995
  H      -1.463763      1.399386      8.976831
  H      -2.930514      0.592303      8.373212
  H      -0.689604      5.040095      6.711880
  H      -0.310290      3.314542      6.564324
  H      -2.589149      4.653026      8.146127
  H      -1.263791      3.678510      8.824043
  H      -6.063326      3.600931      7.484532
  H      -4.629872      4.392681      6.842029
  H      -4.620592      1.768265      8.435622
  H      -4.334419      3.376593      9.120990
  C      -4.218166     -4.243635      7.787583
  C      -5.608149     -3.797131      7.320305
  C      -5.625552     -3.418985      5.860846
  C      -5.987424     -4.338627      4.873647
  C      -5.976520     -3.986783      3.520254
  C      -5.569221     -2.720136      3.124593
  C      -5.177931     -1.791071      4.096016
  C      -4.690319     -0.471824      3.631158
  O      -4.825183     -0.063472      2.483083
  N      -4.002407      0.320121      4.576770
  C      -2.963544     -0.079928      5.284114
  C      -5.237353     -2.141943      5.454322
  C      -0.990539      8.217475      0.296996
  C      -1.035374      8.389032      1.820384
  C      -2.422307      8.197453      2.376019
  C      -3.335104      9.255359      2.416013
  C      -4.646441      9.061983      2.855763
  C      -5.071183      7.803283      3.267400
  C      -4.163340      6.738660      3.265583
  C      -4.655448      5.393393      3.681997
  O      -5.762120      4.963272      3.385920
  N      -3.804172      4.626751      4.499671
  C      -2.677886      5.003987      5.097014
  C      -2.849986      6.942122      2.818005
  C     -10.389196     -2.832919      7.114953
  C      -9.076884     -3.002091      6.335038
  C      -9.046965     -2.155963      5.088135
  C      -9.699350     -2.580064      3.921507
  C      -9.764978     -1.762922      2.790657
  C      -9.195046     -0.493667      2.812926
  C      -8.506544     -0.067669      3.956636
  C      -7.953819      1.316423      3.984109
  O      -8.536645      2.268065      3.481012
  N      -6.668258      1.461196      4.509838
  C      -6.414056      2.199042      5.523439
  C      -8.421175     -0.905584      5.078230
  H      -3.874757     -5.115536      7.215301
  H      -3.481968     -3.440865      7.644998
  H      -4.226836     -4.517117      8.852232
  H      -6.332500     -4.601856      7.501643
  H      -5.936075     -2.935547      7.921420
  H      -6.299283     -5.339773      5.172480
  H      -6.282479     -4.711339      2.770887
  H      -5.539412     -2.430390      2.074380
  H      -2.666591     -1.124985      5.463811
  H      -5.009624     -1.400610      6.217936
  H       0.027838      8.365320     -0.085727
  H      -1.322068      7.215321      0.005946
  H      -1.648074      8.941429     -0.195096
  H      -0.350885      7.670669      2.287895
  H      -0.675093      9.391408      2.083530
  H      -3.015078     10.245942      2.088506
  H      -5.341464      9.899383      2.872239
  H      -6.096263      7.630886      3.593581
  H      -2.347389      6.041556      5.247819
  H      -2.156196      6.102689      2.769464
  H     -11.250936     -3.122310      6.497992
  H     -10.532620     -1.785326      7.419954
  H     -10.391677     -3.455010      8.021739
  H      -8.947227     -4.061425      6.060272
  H      -8.227537     -2.734928      6.981019
  H     -10.168635     -3.565925      3.901875
  H     -10.275279     -2.114260      1.892830
  H      -9.268812      0.171755      1.951130
  H      -7.211483      2.612898      6.163123
  H      -7.884306     -0.566535      5.967565
  N      -3.330563      2.309484      3.122740
  H      -3.754121      1.761434      2.356628
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5658575-UqKm/orca E -6148.993993529791
  N      -2.225545      0.951489      5.754217
  Mo     -3.402024      2.473023      4.852384
  N      -5.127718      2.574273      5.920323
  C      -5.041252      3.422538      7.124748
  C      -4.195394      2.778909      8.232869
  N      -2.799659      2.613267      7.845467
  C      -2.144490      1.346325      8.137934
  C      -1.364096      0.832394      6.908899
  C      -1.935582      3.784362      7.963166
  C      -1.107062      4.029709      6.680177
  N      -2.002151      3.933479      5.546233
  H      -0.433586      1.392427      6.752775
  H      -1.083334     -0.223903      7.055147
  H      -1.455471      1.426104      9.003027
  H      -2.918797      0.607807      8.393955
  H      -0.664069      5.039621      6.709295
  H      -0.282703      3.315584      6.575507
  H      -2.570190      4.665875      8.134836
  H      -1.251868      3.692313      8.829475
  H      -6.058510      3.613210      7.503593
  H      -4.621891      4.405654      6.857342
  H      -4.610584      1.788784      8.465362
  H      -4.307588      3.399687      9.142401
  C      -4.232349     -4.270466      7.795681
  C      -5.616605     -3.793542      7.333174
  C      -5.629991     -3.413334      5.874897
  C      -6.015438     -4.328670      4.883993
  C      -5.996927     -3.978330      3.530996
  C      -5.561800     -2.716603      3.139001
  C      -5.152866     -1.790730      4.114682
  C      -4.655269     -0.472894      3.656728
  O      -4.796176     -0.050989      2.513521
  N      -3.969081      0.312599      4.609267
  C      -2.931052     -0.086769      5.311460
  C      -5.215874     -2.139793      5.471997
  C      -1.021813      8.200985      0.283311
  C      -1.061945      8.404778      1.803511
  C      -2.446778      8.198146      2.365398
  C      -3.374257      9.242580      2.388040
  C      -4.684293      9.034224      2.830727
  C      -5.092289      7.772484      3.259858
  C      -4.169858      6.720631      3.274693
  C      -4.647594      5.369583      3.693388
  O      -5.753498      4.929057      3.409890
  N      -3.783834      4.608427      4.503509
  C      -2.659237      4.991835      5.100836
  C      -2.857520      6.940460      2.825967
  C     -10.369912     -2.854705      7.082184
  C      -9.078198     -3.030633      6.267888
  C      -9.062263     -2.152901      5.041593
  C      -9.751612     -2.537878      3.882675
  C      -9.827233     -1.696345      2.770607
  C      -9.229479     -0.441264      2.806115
  C      -8.507001     -0.052104      3.942161
  C      -7.934630      1.323826      3.982425
  O      -8.505381      2.284269      3.476387
  N      -6.656691      1.461834      4.527586
  C      -6.401460      2.196457      5.547259
  C      -8.413604     -0.914366      5.044554
  H      -3.907791     -5.150107      7.219824
  H      -3.477106     -3.481532      7.653321
  H      -4.243809     -4.545410      8.859615
  H      -6.360846     -4.584923      7.513572
  H      -5.926491     -2.925096      7.938269
  H      -6.350568     -5.326398      5.180339
  H      -6.320692     -4.700947      2.778029
  H      -5.529356     -2.427737      2.088234
  H      -2.634609     -1.130663      5.498201
  H      -4.974047     -1.398418      6.237997
  H      -0.006406      8.364567     -0.105376
  H      -1.331993      7.182771      0.016507
  H      -1.701016      8.900324     -0.224113
  H      -0.361269      7.707343      2.287027
  H      -0.717312      9.420974      2.042347
  H      -3.068594     10.235416      2.044062
  H      -5.391117      9.861198      2.832437
  H      -6.116899      7.589214      3.584052
  H      -2.338518      6.031331      5.255945
  H      -2.153744      6.112208      2.784355
  H     -11.249945     -3.111961      6.477304
  H     -10.485265     -1.813058      7.419110
  H     -10.364083     -3.498654      7.974295
  H      -8.978550     -4.084497      5.960379
  H      -8.208215     -2.800075      6.900855
  H     -10.241193     -3.513175      3.852911
  H     -10.365345     -2.017828      1.878418
  H      -9.308513      0.242272      1.960138
  H      -7.204670      2.602546      6.187135
  H      -7.850895     -0.604848      5.928728
  N      -3.280098      2.288201      3.145309
  H      -3.699254      1.737173      2.361085
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5658575-UqKm/orca E -6148.994291794396
  N      -2.207468      0.951210      5.731479
  Mo     -3.396523      2.468699      4.840304
  N      -5.125662      2.564474      5.893784
  C      -5.046250      3.414431      7.096852
  C      -4.195563      2.778959      8.203859
  N      -2.801646      2.617777      7.809327
  C      -2.141590      1.355253      8.112758
  C      -1.352141      0.838858      6.890978
  C      -1.942317      3.792746      7.931208
  C      -1.103245      4.032646      6.654950
  N      -1.989201      3.931283      5.513587
  H      -0.422796      1.401093      6.737466
  H      -1.068087     -0.215802      7.043903
  H      -1.458928      1.442824      8.981341
  H      -2.913742      0.614471      8.367342
  H      -0.661705      5.042787      6.684447
  H      -0.277759      3.318875      6.559784
  H      -2.582060      4.672941      8.090908
  H      -1.267410      3.707957      8.805162
  H      -6.064523      3.596860      7.475464
  H      -4.635346      4.400646      6.828631
  H      -4.605708      1.787930      8.440931
  H      -4.305997      3.401931      9.111673
  C      -4.253002     -4.268890      7.800599
  C      -5.630655     -3.786298      7.324032
  C      -5.629909     -3.413056      5.865215
  C      -6.016682     -4.330734      4.876807
  C      -5.986460     -3.986931      3.523149
  C      -5.540762     -2.729051      3.128379
  C      -5.133245     -1.800800      4.101792
  C      -4.629873     -0.485914      3.642792
  O      -4.750739     -0.073782      2.493688
  N      -3.959492      0.303305      4.602767
  C      -2.915169     -0.090060      5.299304
  C      -5.203741     -2.143981      5.459366
  C      -0.961826      8.195193      0.373852
  C      -1.058036      8.420568      1.889766
  C      -2.458796      8.205178      2.402962
  C      -3.399235      9.239682      2.384993
  C      -4.720289      9.021513      2.786636
  C      -5.126072      7.759872      3.215940
  C      -4.191875      6.717971      3.270801
  C      -4.662249      5.365607      3.694459
  O      -5.767530      4.918936      3.417550
  N      -3.786395      4.604834      4.493116
  C      -2.658389      4.989283      5.081860
  C      -2.868944      6.947622      2.859716
  C     -10.332147     -2.825501      7.131896
  C      -9.061189     -3.018611      6.287456
  C      -9.066117     -2.146638      5.058082
  C      -9.790765     -2.528785      3.919321
  C      -9.882004     -1.694591      2.805142
  C      -9.264262     -0.449700      2.819430
  C      -8.509758     -0.062130      3.935435
  C      -7.925168      1.308311      3.953275
  O      -8.491511      2.261669      3.437721
  N      -6.647085      1.454840      4.492642
  C      -6.397668      2.184507      5.514530
  C      -8.401825     -0.916864      5.039627
  H      -3.928495     -5.152987      7.231222
  H      -3.491582     -3.484317      7.661795
  H      -4.275887     -4.539441      8.864858
  H      -6.380749     -4.573899      7.500784
  H      -5.941902     -2.913894      7.922937
  H      -6.361181     -5.325318      5.175584
  H      -6.310027     -4.711629      2.771746
  H      -5.500447     -2.444366      2.076923
  H      -2.614524     -1.132441      5.486108
  H      -4.961758     -1.399582      6.222608
  H       0.064424      8.366290      0.020242
  H      -1.248046      7.168495      0.107670
  H      -1.634172      8.878761     -0.164703
  H      -0.365181      7.737195      2.404874
  H      -0.734557      9.444560      2.128889
  H      -3.094983     10.232506      2.043227
  H      -5.436655      9.840849      2.757348
  H      -6.157802      7.569370      3.510485
  H      -2.341404      6.029247      5.241241
  H      -2.153622      6.126903      2.849251
  H     -11.230561     -3.076395      6.549119
  H     -10.425560     -1.783104      7.467226
  H     -10.312216     -3.463695      8.026735
  H      -8.984105     -4.072790      5.980323
  H      -8.171332     -2.795732      6.897828
  H     -10.294591     -3.496573      3.906449
  H     -10.446888     -2.013718      1.928435
  H      -9.354667      0.228731      1.972814
  H      -7.203612      2.590346      6.150387
  H      -7.812512     -0.609947      5.907524
  N      -3.308381      2.279518      3.122979
  H      -3.758080      1.724632      2.352257
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5658575-UqKm/orca E -6148.994629535527
  N      -2.218886      0.958306      5.713750
  Mo     -3.412217      2.480182      4.830764
  N      -5.150778      2.575811      5.870732
  C      -5.082793      3.424457      7.075366
  C      -4.232571      2.790065      8.182994
  N      -2.839179      2.626931      7.779074
  C      -2.181063      1.364152      8.094239
  C      -1.375677      0.847771      6.882588
  C      -1.977310      3.800699      7.916131
  C      -1.121554      4.036331      6.651802
  N      -1.995142      3.937957      5.499106
  H      -0.444561      1.410184      6.739243
  H      -1.092727     -0.206565      7.040082
  H      -1.511237      1.454876      8.972603
  H      -2.956099      0.622305      8.338659
  H      -0.677334      5.044812      6.686730
  H      -0.297008      3.321035      6.565762
  H      -2.617326      4.682589      8.065133
  H      -1.316190      3.714344      8.800658
  H      -6.103997      3.599083      7.450254
  H      -4.675787      4.413655      6.811559
  H      -4.644045      1.799858      8.422002
  H      -4.335925      3.413845      9.091830
  C      -4.201366     -4.278214      7.742981
  C      -5.590170     -3.815194      7.280652
  C      -5.606882     -3.425885      5.824375
  C      -5.985273     -4.337510      4.827590
  C      -5.966759     -3.980195      3.475234
  C      -5.540159     -2.714236      3.090506
  C      -5.141521     -1.791726      4.072462
  C      -4.645457     -0.470541      3.624725
  O      -4.772224     -0.051108      2.479261
  N      -3.976597      0.314467      4.590908
  C      -2.927794     -0.081376      5.281386
  C      -5.202513     -2.148535      5.428580
  C      -0.875910      8.155642      0.451165
  C      -1.025957      8.408208      1.960563
  C      -2.440743      8.200610      2.426525
  C      -3.382762      9.233548      2.362744
  C      -4.713475      9.020252      2.724797
  C      -5.128099      7.766770      3.161577
  C      -4.194003      6.726951      3.261960
  C      -4.673065      5.384268      3.698751
  O      -5.771433      4.934784      3.412949
  N      -3.795847      4.618657      4.488751
  C      -2.670082      4.998225      5.080906
  C      -2.861817      6.950412      2.884876
  C     -10.306818     -2.791767      7.203310
  C      -9.045643     -2.996800      6.356429
  C      -9.061807     -2.149620      5.111441
  C      -9.814189     -2.546481      3.995496
  C      -9.929170     -1.726592      2.871295
  C      -9.305770     -0.482119      2.853209
  C      -8.520721     -0.082247      3.945487
  C      -7.934995      1.288049      3.932656
  O      -8.522721      2.236289      3.415665
  N      -6.653594      1.451216      4.468472
  C      -6.415555      2.182538      5.488775
  C      -8.391022     -0.922371      5.058809
  H      -3.864956     -5.148472      7.160642
  H      -3.455951     -3.479672      7.609660
  H      -4.212730     -4.562329      8.804761
  H      -6.322995     -4.617438      7.452698
  H      -5.913898     -2.956549      7.892224
  H      -6.311022     -5.338839      5.118454
  H      -6.278528     -4.701533      2.717552
  H      -5.504426     -2.420073      2.041833
  H      -2.627723     -1.124140      5.465557
  H      -4.966010     -1.409097      6.198083
  H       0.159893      8.320956      0.131794
  H      -1.150142      7.123774      0.190030
  H      -1.530020      8.828273     -0.121180
  H      -0.350958      7.734403      2.509941
  H      -0.712935      9.436664      2.196005
  H      -3.071031     10.220227      2.018713
  H      -5.430699      9.837976      2.659870
  H      -6.166339      7.580528      3.428628
  H      -2.356635      6.037260      5.254766
  H      -2.143507      6.129981      2.906311
  H     -11.208399     -3.060402      6.635939
  H     -10.395750     -1.744099      7.512180
  H     -10.280344     -3.408436      8.111005
  H      -8.973907     -4.055962      6.072519
  H      -8.153031     -2.757505      6.951263
  H     -10.326709     -3.511535      4.010179
  H     -10.520280     -2.054678      2.013327
  H      -9.415359      0.187228      2.000212
  H      -7.224020      2.578014      6.124695
  H      -7.781558     -0.604453      5.908302
  N      -3.311406      2.295187      3.121144
  H      -3.762886      1.746691      2.351969
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5658575-UqKm/orca E -6148.995293843018
  N      -2.208460      0.934849      5.706003
  Mo     -3.401090      2.467089      4.832022
  N      -5.147654      2.574687      5.850790
  C      -5.089482      3.424367      7.054298
  C      -4.242276      2.790408      8.163349
  N      -2.853589      2.615361      7.746031
  C      -2.203279      1.350985      8.082345
  C      -1.383017      0.824871      6.887484
  C      -1.983582      3.783986      7.899298
  C      -1.103566      4.006056      6.650629
  N      -1.960023      3.912070      5.483297
  H      -0.447507      1.380082      6.754680
  H      -1.109111     -0.229842      7.056244
  H      -1.549593      1.445578      8.970387
  H      -2.983294      0.613468      8.317396
  H      -0.650464      5.010833      6.689344
  H      -0.284430      3.283011      6.579752
  H      -2.620043      4.672018      8.030332
  H      -1.343011      3.694890      8.798208
  H      -6.112304      3.595321      7.424485
  H      -4.683789      4.413552      6.792042
  H      -4.659263      1.804933      8.410194
  H      -4.331093      3.418584      9.068673
  C      -4.201342     -4.276339      7.752321
  C      -5.593250     -3.835593      7.279320
  C      -5.605591     -3.444806      5.822019
  C      -5.964426     -4.359454      4.822405
  C      -5.945679     -4.000208      3.469547
  C      -5.535033     -2.729129      3.087340
  C      -5.148929     -1.805037      4.071511
  C      -4.650095     -0.481952      3.626429
  O      -4.773586     -0.064811      2.479839
  N      -3.980925      0.300478      4.596567
  C      -2.926106     -0.100265      5.280868
  C      -5.214953     -2.163700      5.428332
  C      -0.862461      8.217696      0.471651
  C      -1.035982      8.468176      1.978623
  C      -2.453678      8.232945      2.430350
  C      -3.417648      9.247926      2.355474
  C      -4.748046      9.007740      2.709683
  C      -5.140296      7.747606      3.153543
  C      -4.186196      6.725169      3.264786
  C      -4.650260      5.378486      3.710751
  O      -5.757679      4.930829      3.449182
  N      -3.764255      4.609833      4.489233
  C      -2.637778      4.978686      5.082977
  C      -2.855643      6.973512      2.887154
  C     -10.298360     -2.723657      7.248446
  C      -9.055441     -2.973282      6.382840
  C      -9.070377     -2.141273      5.123724
  C      -9.845880     -2.537817      4.022868
  C      -9.957924     -1.729130      2.886759
  C      -9.311430     -0.494493      2.843950
  C      -8.505779     -0.094908      3.921721
  C      -7.901842      1.267551      3.884344
  O      -8.444297      2.203231      3.309723
  N      -6.635342      1.434216      4.442952
  C      -6.409611      2.174901      5.459208
  C      -8.376459     -0.926422      5.044182
  H      -3.846397     -5.138740      7.170678
  H      -3.468646     -3.466189      7.627669
  H      -4.218043     -4.563320      8.814021
  H      -6.312704     -4.649823      7.444032
  H      -5.936196     -2.984612      7.890094
  H      -6.276713     -5.364448      5.111164
  H      -6.240968     -4.724054      2.709991
  H      -5.500698     -2.432174      2.038871
  H      -2.632264     -1.145366      5.463292
  H      -4.991213     -1.422616      6.198034
  H       0.174653      8.405052      0.163357
  H      -1.111797      7.178429      0.211078
  H      -1.523970      8.874906     -0.109434
  H      -0.354131      7.807772      2.536828
  H      -0.744921      9.503646      2.214564
  H      -3.122870     10.240730      2.010212
  H      -5.483389      9.811008      2.634543
  H      -6.177342      7.541236      3.418826
  H      -2.323522      6.014784      5.276055
  H      -2.119046      6.165261      2.907702
  H     -11.215207     -2.980175      6.699014
  H     -10.357764     -1.665563      7.542824
  H     -10.271184     -3.328495      8.167817
  H      -9.013123     -4.041343      6.113184
  H      -8.150065     -2.744888      6.960790
  H     -10.378757     -3.493443      4.059178
  H     -10.569170     -2.055677      2.041324
  H      -9.420675      0.169952      1.984368
  H      -7.226134      2.573675      6.083559
  H      -7.747794     -0.610485      5.880886
  N      -3.295197      2.275546      3.125166
  H      -3.747836      1.738558      2.357813
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5658575-UqKm/orca E -6148.995649752029
  N      -2.191447      0.918342      5.703639
  Mo     -3.387011      2.454722      4.832477
  N      -5.146522      2.574765      5.826259
  C      -5.100318      3.427959      7.027058
  C      -4.257977      2.797469      8.141307
  N      -2.871153      2.612489      7.715127
  C      -2.227090      1.349131      8.076021
  C      -1.386198      0.814080      6.900638
  C      -1.997029      3.778494      7.882681
  C      -1.091428      3.987109      6.650715
  N      -1.927536      3.892308      5.467009
  H      -0.446912      1.364901      6.780487
  H      -1.118690     -0.239933      7.082582
  H      -1.592517      1.450648      8.976760
  H      -3.012304      0.614216      8.299520
  H      -0.632887      4.989428      6.692129
  H      -0.275310      3.258734      6.598186
  H      -2.632304      4.670832      7.993179
  H      -1.378576      3.690518      8.797097
  H      -6.126486      3.596646      7.389880
  H      -4.694839      4.416519      6.764696
  H      -4.679540      1.816256      8.395873
  H      -4.337114      3.431556      9.042795
  C      -4.216800     -4.289948      7.761227
  C      -5.604646     -3.846057      7.278538
  C      -5.606674     -3.457472      5.821159
  C      -5.962590     -4.374557      4.821835
  C      -5.933153     -4.019047      3.469236
  C      -5.515592     -2.748587      3.087057
  C      -5.132958     -1.821984      4.070501
  C      -4.628321     -0.499100      3.625768
  O      -4.734386     -0.088004      2.474597
  N      -3.970164      0.284887      4.602104
  C      -2.914182     -0.115329      5.286724
  C      -5.208260     -2.177627      5.427174
  C      -0.856093      8.258700      0.489015
  C      -1.044714      8.508639      1.992783
  C      -2.462974      8.252098      2.437711
  C      -3.442181      9.251548      2.354740
  C      -4.771533      8.990591      2.703124
  C      -5.147484      7.726266      3.150014
  C      -4.179366      6.718420      3.268031
  C      -4.631537      5.369600      3.718623
  O      -5.747736      4.927191      3.482829
  N      -3.736337      4.599549      4.485002
  C      -2.610126      4.962345      5.080110
  C      -2.849849      6.986977      2.895769
  C     -10.253211     -2.685355      7.285072
  C      -9.041748     -2.962185      6.380931
  C      -9.076737     -2.130114      5.123337
  C      -9.882120     -2.516143      4.043682
  C     -10.003180     -1.710328      2.909145
  C      -9.340754     -0.486359      2.849497
  C      -8.509630     -0.095148      3.906866
  C      -7.894400      1.259831      3.850308
  O      -8.429398      2.191788      3.256459
  N      -6.627829      1.429908      4.411549
  C      -6.407403      2.172770      5.426438
  C      -8.367674     -0.926950      5.025567
  H      -3.860196     -5.153813      7.182333
  H      -3.480792     -3.481176      7.641861
  H      -4.242520     -4.576052      8.822520
  H      -6.326672     -4.659969      7.438931
  H      -5.949779     -2.993915      7.886528
  H      -6.281060     -5.379016      5.110605
  H      -6.226705     -4.745045      2.709470
  H      -5.477252     -2.453050      2.038107
  H      -2.623900     -1.161367      5.470747
  H      -4.985861     -1.434237      6.195058
  H       0.180694      8.465301      0.185825
  H      -1.084523      7.214077      0.232801
  H      -1.525546      8.900999     -0.098583
  H      -0.356983      7.860720      2.557506
  H      -0.770713      9.548832      2.225438
  H      -3.160461     10.248300      2.006734
  H      -5.519386      9.781284      2.620508
  H      -6.183087      7.504064      3.412870
  H      -2.298050      5.996443      5.289237
  H      -2.100832      6.190152      2.916013
  H     -11.193468     -2.921951      6.764588
  H     -10.280905     -1.626433      7.581340
  H     -10.209885     -3.290361      8.203349
  H      -9.030078     -4.030072      6.109977
  H      -8.113519     -2.752129      6.931193
  H     -10.427023     -3.462911      4.094542
  H     -10.634295     -2.030063      2.079746
  H      -9.455703      0.177644      1.993016
  H      -7.228185      2.575529      6.043350
  H      -7.715787     -0.620044      5.844929
  N      -3.273267      2.258244      3.126697
  H      -3.726917      1.735016      2.359529
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5658575-UqKm/orca E -6148.995885563104
  N      -2.181787      0.915193      5.704086
  Mo     -3.385676      2.456605      4.844401
  N      -5.153392      2.582108      5.820569
  C      -5.115830      3.434113      7.022621
  C      -4.275301      2.801263      8.135909
  N      -2.890220      2.611567      7.697347
  C      -2.250277      1.347902      8.072782
  C      -1.391276      0.813000      6.911560
  C      -2.011835      3.775290      7.879890
  C      -1.089015      3.979412      6.662507
  N      -1.910846      3.887391      5.467546
  H      -0.449788      1.362895      6.803907
  H      -1.128038     -0.241219      7.099156
  H      -1.633558      1.452795      8.985342
  H      -3.039258      0.611818      8.281792
  H      -0.627221      4.979940      6.709873
  H      -0.275560      3.249044      6.619935
  H      -2.643782      4.669924      7.979543
  H      -1.411050      3.684101      8.803908
  H      -6.143715      3.598758      7.381613
  H      -4.710892      4.424460      6.764372
  H      -4.700375      1.821476      8.391926
  H      -4.344046      3.435570      9.038286
  C      -4.204515     -4.303748      7.749544
  C      -5.593227     -3.861681      7.266725
  C      -5.593963     -3.467295      5.811015
  C      -5.942120     -4.383000      4.807551
  C      -5.906419     -4.023646      3.456531
  C      -5.492147     -2.749805      3.080207
  C      -5.119324     -1.824224      4.067645
  C      -4.619794     -0.497175      3.629296
  O      -4.723783     -0.082345      2.479503
  N      -3.966837      0.284862      4.611232
  C      -2.908175     -0.116800      5.290804
  C      -5.198630     -2.184552      5.422676
  C      -0.849161      8.214936      0.505352
  C      -1.054762      8.513133      1.999941
  C      -2.472911      8.251747      2.439669
  C      -3.459272      9.238956      2.324515
  C      -4.787569      8.972527      2.667626
  C      -5.155938      7.714936      3.137851
  C      -4.181754      6.718214      3.283878
  C      -4.631618      5.376231      3.750270
  O      -5.749706      4.933690      3.527612
  N      -3.725973      4.603318      4.500558
  C      -2.598398      4.960452      5.095366
  C      -2.852110      6.992552      2.922897
  C     -10.201580     -2.667465      7.310049
  C      -9.020909     -2.955576      6.367819
  C      -9.081773     -2.113133      5.117012
  C      -9.922798     -2.480376      4.058535
  C     -10.063973     -1.666417      2.931216
  C      -9.385170     -0.453364      2.858398
  C      -8.520730     -0.079236      3.895046
  C      -7.887450      1.265495      3.823787
  O      -8.393216      2.189922      3.198382
  N      -6.628143      1.432976      4.398576
  C      -6.413095      2.178673      5.413034
  C      -8.361251     -0.918994      5.006398
  H      -3.844533     -5.164086      7.167129
  H      -3.470389     -3.492018      7.635504
  H      -4.231516     -4.594527      8.809450
  H      -6.313164     -4.678833      7.422317
  H      -5.941430     -3.013021      7.877977
  H      -6.257549     -5.390095      5.091804
  H      -6.192823     -4.749044      2.693320
  H      -5.449910     -2.450661      2.032682
  H      -2.619783     -1.164159      5.470386
  H      -4.980304     -1.442362      6.193076
  H       0.186172      8.431119      0.205084
  H      -1.056341      7.156380      0.284748
  H      -1.524797      8.824861     -0.114094
  H      -0.364880      7.893080      2.596632
  H      -0.796354      9.565447      2.199432
  H      -3.184047     10.230572      1.954717
  H      -5.541173      9.753090      2.560166
  H      -6.190634      7.487752      3.394937
  H      -2.289140      5.992021      5.321009
  H      -2.097767      6.204064      2.961798
  H     -11.159981     -2.884109      6.815978
  H     -10.205986     -1.610610      7.614793
  H     -10.140114     -3.281684      8.221924
  H      -9.031888     -4.021119      6.089575
  H      -8.073676     -2.764056      6.892234
  H     -10.479152     -3.418841      4.120883
  H     -10.722517     -1.972087      2.118473
  H      -9.511994      0.217344      2.008499
  H      -7.237290      2.583587      6.024375
  H      -7.680852     -0.627570      5.808283
  N      -3.264093      2.261618      3.139285
  H      -3.716742      1.743756      2.367638
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5658575-UqKm/orca E -6148.996140661326
  N      -2.158816      0.905126      5.701883
  Mo     -3.372558      2.446988      4.846747
  N      -5.150119      2.577092      5.797495
  C      -5.124655      3.429531      7.000583
  C      -4.289326      2.795916      8.117000
  N      -2.901598      2.604651      7.676751
  C      -2.263352      1.341895      8.066106
  C      -1.383672      0.808335      6.920922
  C      -2.022864      3.769407      7.871144
  C      -1.081668      3.969426      6.668298
  N      -1.889338      3.875957      5.462918
  H      -0.441601      1.359157      6.826710
  H      -1.123064     -0.245565      7.114844
  H      -1.667455      1.451233      8.991210
  H      -3.054092      0.603242      8.258379
  H      -0.619601      4.969533      6.720220
  H      -0.268734      3.238304      6.637951
  H      -2.654416      4.665511      7.958453
  H      -1.441201      3.678200      8.806586
  H      -6.155424      3.590825      7.352411
  H      -4.720607      4.421447      6.746775
  H      -4.716172      1.816289      8.371133
  H      -4.355917      3.430775      9.019812
  C      -4.205726     -4.327756      7.756139
  C      -5.589212     -3.872336      7.269888
  C      -5.581225     -3.481541      5.814355
  C      -5.928117     -4.399852      4.812423
  C      -5.881912     -4.044980      3.461999
  C      -5.460351     -2.772406      3.085121
  C      -5.090710     -1.843628      4.071018
  C      -4.592731     -0.515148      3.630347
  O      -4.700582     -0.099328      2.481652
  N      -3.944364      0.270832      4.612308
  C      -2.885809     -0.127717      5.292493
  C      -5.178435     -2.200414      5.425362
  C      -0.846113      8.231875      0.529146
  C      -1.072875      8.543012      2.016344
  C      -2.490979      8.262703      2.447218
  C      -3.491522      9.234375      2.318973
  C      -4.818836      8.950375      2.654599
  C      -5.171704      7.690638      3.130231
  C      -4.183106      6.708117      3.287712
  C      -4.622742      5.365222      3.760963
  O      -5.744878      4.921485      3.557459
  N      -3.705662      4.593723      4.498868
  C      -2.578488      4.949899      5.094865
  C      -2.854787      7.000394      2.935802
  C     -10.169798     -2.620713      7.330156
  C      -9.016862     -2.928615      6.364521
  C      -9.093416     -2.088764      5.114248
  C      -9.969993     -2.442801      4.078184
  C     -10.129680     -1.627206      2.954162
  C      -9.429884     -0.428194      2.860401
  C      -8.529326     -0.066936      3.874101
  C      -7.867839      1.262553      3.777864
  O      -8.352936      2.185743      3.131475
  N      -6.616631      1.423961      4.368547
  C      -6.409026      2.176266      5.379670
  C      -8.357072     -0.906047      4.984157
  H      -3.853025     -5.193045      7.176158
  H      -3.462842     -3.522610      7.642571
  H      -4.238504     -4.615618      8.816031
  H      -6.318343     -4.682686      7.425625
  H      -5.928699     -3.018272      7.878447
  H      -6.249555     -5.405698      5.097176
  H      -6.167711     -4.772211      2.699917
  H      -5.410774     -2.476358      2.037395
  H      -2.598522     -1.175990      5.468620
  H      -4.959787     -1.456963      6.194122
  H       0.188100      8.463424      0.235878
  H      -1.032986      7.168713      0.320336
  H      -1.523813      8.822419     -0.104372
  H      -0.379913      7.942171      2.627363
  H      -0.834214      9.601088      2.205537
  H      -3.227917     10.227149      1.942754
  H      -5.583690      9.718592      2.537678
  H      -6.204456      7.448297      3.383134
  H      -2.273198      5.980115      5.331956
  H      -2.088384      6.224391      2.984689
  H     -11.140253     -2.820677      6.857900
  H     -10.152091     -1.563335      7.632544
  H     -10.099458     -3.236546      8.238467
  H      -9.048115     -3.994883      6.090578
  H      -8.056869     -2.750104      6.867469
  H     -10.542186     -3.370348      4.158512
  H     -10.818067     -1.922015      2.159818
  H      -9.565811      0.243588      2.012464
  H      -7.237496      2.590806      5.979893
  H      -7.649796     -0.624749      5.767728
  N      -3.245746      2.250029      3.140248
  H      -3.691882      1.734263      2.361657
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5658575-UqKm/orca E -6148.996436611332
  N      -2.162950      0.902498      5.705632
  Mo     -3.380394      2.450151      4.852414
  N      -5.168894      2.588263      5.771057
  C      -5.153698      3.439055      6.977837
  C      -4.331571      2.796598      8.099439
  N      -2.938934      2.600266      7.668279
  C      -2.309046      1.333929      8.066376
  C      -1.406692      0.804916      6.938259
  C      -2.056031      3.762329      7.877258
  C      -1.094695      3.961218      6.690258
  N      -1.889549      3.872621      5.475373
  H      -0.462390      1.354541      6.862549
  H      -1.152893     -0.250407      7.134304
  H      -1.738420      1.440116      9.007357
  H      -3.105051      0.594976      8.234322
  H      -0.630662      4.960066      6.750100
  H      -0.283426      3.227706      6.670509
  H      -2.684361      4.661566      7.956232
  H      -1.495580      3.665000      8.824760
  H      -6.187657      3.602477      7.318952
  H      -4.744780      4.431048      6.732053
  H      -4.764046      1.817285      8.344357
  H      -4.400115      3.428148      9.004270
  C      -4.167473     -4.370740      7.722108
  C      -5.551590     -3.903853      7.248691
  C      -5.549254     -3.504813      5.795474
  C      -5.891312     -4.419244      4.788886
  C      -5.847545     -4.056592      3.440142
  C      -5.434060     -2.780030      3.070408
  C      -5.071671     -1.854224      4.061431
  C      -4.590220     -0.518494      3.624907
  O      -4.701170     -0.099017      2.477768
  N      -3.942739      0.270804      4.605998
  C      -2.890423     -0.128754      5.292134
  C      -5.155832     -2.219481      5.413814
  C      -0.816309      8.197095      0.554584
  C      -1.071264      8.551679      2.027154
  C      -2.490296      8.264982      2.446618
  C      -3.496540      9.227797      2.298921
  C      -4.823854      8.940298      2.627937
  C      -5.170592      7.684669      3.114486
  C      -4.175585      6.709122      3.288256
  C      -4.616794      5.371109      3.772078
  O      -5.742166      4.930630      3.582065
  N      -3.695088      4.597726      4.500391
  C      -2.569725      4.949933      5.102182
  C      -2.847739      7.006068      2.945499
  C     -10.109324     -2.579336      7.389184
  C      -8.993239     -2.894242      6.381097
  C      -9.104781     -2.055713      5.132706
  C     -10.003737     -2.412861      4.117619
  C     -10.184292     -1.603249      2.994010
  C      -9.480210     -0.409469      2.876076
  C      -8.559991     -0.042899      3.869195
  C      -7.881749      1.275405      3.741039
  O      -8.343789      2.187208      3.061081
  N      -6.631908      1.432415      4.344175
  C      -6.428522      2.199074      5.342681
  C      -8.370578     -0.874195      4.981739
  H      -3.823531     -5.234232      7.134795
  H      -3.421738     -3.568708      7.607935
  H      -4.193825     -4.664204      8.780703
  H      -6.284873     -4.709536      7.405607
  H      -5.879038     -3.050185      7.863858
  H      -6.205769     -5.427970      5.067920
  H      -6.130492     -4.780304      2.674474
  H      -5.382209     -2.479570      2.024916
  H      -2.608365     -1.179993      5.460592
  H      -4.937790     -1.481065      6.187595
  H       0.217108      8.438560      0.269506
  H      -0.981854      7.124634      0.376164
  H      -1.492371      8.756445     -0.109149
  H      -0.380146      7.980476      2.668227
  H      -0.851685      9.618614      2.189019
  H      -3.235872     10.216131      1.912599
  H      -5.593019      9.702009      2.498931
  H      -6.202028      7.436420      3.363050
  H      -2.264061      5.977972      5.347385
  H      -2.075748      6.237736      3.012122
  H     -11.101193     -2.767900      6.952730
  H     -10.075970     -1.522572      7.691675
  H     -10.010328     -3.199625      8.292597
  H      -9.034781     -3.961094      6.110670
  H      -8.013705     -2.722980      6.852333
  H     -10.573354     -3.340229      4.215563
  H     -10.886546     -1.903161      2.215523
  H      -9.623972      0.254845      2.024901
  H      -7.256726      2.634056      5.928584
  H      -7.648966     -0.588922      5.748493
  N      -3.245845      2.251762      3.146723
  H      -3.673695      1.732418      2.354879
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5658575-UqKm/orca E -6148.996683278574
  N      -2.153619      0.904001      5.701638
  Mo     -3.382457      2.452031      4.856218
  N      -5.177018      2.581057      5.748963
  C      -5.174916      3.426943      6.961680
  C      -4.359741      2.780282      8.083726
  N      -2.965252      2.589445      7.661047
  C      -2.335951      1.323052      8.061075
  C      -1.413883      0.804418      6.944617
  C      -2.087670      3.752802      7.887421
  C      -1.112720      3.961317      6.714004
  N      -1.893754      3.876279      5.490330
  H      -0.471575      1.358563      6.884844
  H      -1.158878     -0.251125      7.138362
  H      -1.784097      1.425921      9.012817
  H      -3.132116      0.580901      8.209592
  H      -0.654378      4.961640      6.785286
  H      -0.298617      3.231164      6.699949
  H      -2.720071      4.649402      7.964295
  H      -1.541353      3.651216      8.842592
  H      -6.211628      3.584472      7.295132
  H      -4.768906      4.421896      6.724843
  H      -4.789489      1.797522      8.317245
  H      -4.435532      3.405502      8.991518
  C      -4.163062     -4.400246      7.704309
  C      -5.540996     -3.914508      7.231944
  C      -5.533091     -3.514763      5.779102
  C      -5.873687     -4.427756      4.771022
  C      -5.828803     -4.062968      3.422515
  C      -5.414530     -2.786490      3.054983
  C      -5.051553     -1.862329      4.048103
  C      -4.572651     -0.525404      3.612534
  O      -4.690519     -0.103593      2.467913
  N      -3.927747      0.268233      4.592409
  C      -2.875058     -0.128816      5.279695
  C      -5.138788     -2.229195      5.399841
  C      -0.814329      8.169079      0.562207
  C      -1.076458      8.551885      2.025534
  C      -2.494322      8.266378      2.448568
  C      -3.499191      9.229006      2.303405
  C      -4.825252      8.945081      2.639248
  C      -5.171005      7.691907      3.129505
  C      -4.176761      6.715401      3.299480
  C      -4.619939      5.380169      3.790617
  O      -5.748995      4.944378      3.612033
  N      -3.693848      4.602397      4.508342
  C      -2.570349      4.954349      5.113931
  C      -2.850987      7.009760      2.949688
  C     -10.068996     -2.503264      7.435627
  C      -8.978873     -2.850328      6.411867
  C      -9.101042     -2.033790      5.152984
  C     -10.017303     -2.400117      4.155006
  C     -10.206134     -1.608003      3.021858
  C      -9.491263     -0.424120      2.874314
  C      -8.554004     -0.048707      3.850166
  C      -7.860727      1.258125      3.688617
  O      -8.301339      2.155330      2.976398
  N      -6.620295      1.416356      4.311037
  C      -6.431924      2.196366      5.303739
  C      -8.356810     -0.862074      4.974073
  H      -3.830453     -5.267796      7.116787
  H      -3.407862     -3.607575      7.589453
  H      -4.191920     -4.693724      8.762808
  H      -6.285031     -4.709636      7.389896
  H      -5.855079     -3.055992      7.846883
  H      -6.190360     -5.436301      5.048124
  H      -6.113828     -4.784651      2.655569
  H      -5.360910     -2.485793      2.010051
  H      -2.590131     -1.180608      5.437781
  H      -4.923078     -1.492922      6.175634
  H       0.217435      8.412767      0.274354
  H      -0.971316      7.092889      0.404707
  H      -1.491252      8.709834     -0.114346
  H      -0.384128      7.998755      2.679021
  H      -0.864722      9.622148      2.167746
  H      -3.237531     10.214685      1.914310
  H      -5.593585      9.707309      2.513987
  H      -6.200561      7.444203      3.384035
  H      -2.266748      5.982102      5.362550
  H      -2.079444      6.242358      3.017370
  H     -11.073235     -2.684184      7.022282
  H     -10.014334     -1.442638      7.720082
  H      -9.961571     -3.109568      8.344988
  H      -9.038020     -3.921129      6.160624
  H      -7.987254     -2.684002      6.861511
  H     -10.594209     -3.320435      4.275312
  H     -10.923211     -1.914487      2.257685
  H      -9.639791      0.227104      2.013455
  H      -7.265515      2.645650      5.868953
  H      -7.622998     -0.568468      5.727857
  N      -3.251356      2.267435      3.148899
  H      -3.659334      1.749238      2.347227
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5658575-UqKm/orca E -6148.996974919523
  N      -2.154323      0.898827      5.695638
  Mo     -3.389086      2.449886      4.850793
  N      -5.198719      2.579520      5.703357
  C      -5.213624      3.423606      6.918442
  C      -4.414258      2.770278      8.046790
  N      -3.016540      2.576771      7.638884
  C      -2.397191      1.308683      8.050822
  C      -1.445680      0.795632      6.957262
  C      -2.140772      3.737191      7.888590
  C      -1.140765      3.950083      6.735951
  N      -1.896983      3.871079      5.496333
  H      -0.502565      1.350523      6.922112
  H      -1.194289     -0.260178      7.153816
  H      -1.872854      1.406111      9.018972
  H      -3.198801      0.567853      8.173528
  H      -0.685448      4.950908      6.820894
  H      -0.325621      3.220119      6.736279
  H      -2.774747      4.634079      7.956520
  H      -1.616355      3.629211      8.855971
  H      -6.255612      3.580193      7.236719
  H      -4.804522      4.418739      6.689306
  H      -4.847112      1.786537      8.268370
  H      -4.499551      3.389114      8.957092
  C      -4.142763     -4.436990      7.664669
  C      -5.516124     -3.927809      7.202637
  C      -5.511550     -3.527272      5.749114
  C      -5.849773     -4.439464      4.739615
  C      -5.805175     -4.073020      3.390563
  C      -5.393076     -2.796610      3.024104
  C      -5.033331     -1.873246      4.019055
  C      -4.554163     -0.536784      3.585337
  O      -4.657793     -0.119349      2.437195
  N      -3.918208      0.261556      4.568147
  C      -2.869378     -0.134554      5.261009
  C      -5.121041     -2.240905      5.370886
  C      -0.787959      8.147560      0.595812
  C      -1.066236      8.566436      2.045194
  C      -2.485130      8.279568      2.465363
  C      -3.489333      9.242754      2.323743
  C      -4.816137      8.960096      2.659800
  C      -5.161824      7.705959      3.145836
  C      -4.168329      6.727548      3.310560
  C      -4.614246      5.390821      3.797536
  O      -5.750071      4.966797      3.636142
  N      -3.687111      4.603709      4.501973
  C      -2.566403      4.952152      5.113992
  C      -2.842227      7.021803      2.960381
  C     -10.008455     -2.407033      7.522565
  C      -8.945979     -2.786295      6.486183
  C      -9.091303     -2.006338      5.206865
  C     -10.025481     -2.399445      4.235848
  C     -10.234609     -1.638499      3.083523
  C      -9.515783     -0.463401      2.885473
  C      -8.559121     -0.063622      3.833315
  C      -7.851284      1.227737      3.613068
  O      -8.262172      2.088577      2.843710
  N      -6.621166      1.402149      4.257144
  C      -6.449108      2.207766      5.230647
  C      -8.346627     -0.842372      4.979882
  H      -3.828495     -5.309812      7.074532
  H      -3.376042     -3.656859      7.543403
  H      -4.167391     -4.730473      8.723938
  H      -6.273235     -4.708682      7.366608
  H      -5.810308     -3.063559      7.819762
  H      -6.163305     -5.448529      5.015779
  H      -6.087823     -4.793793      2.622862
  H      -5.337975     -2.496353      1.979016
  H      -2.584428     -1.187800      5.410457
  H      -4.907720     -1.506147      6.149275
  H       0.243319      8.394126      0.309043
  H      -0.932098      7.066971      0.464067
  H      -1.464761      8.663092     -0.098314
  H      -0.372829      8.038236      2.716412
  H      -0.866991      9.641296      2.162551
  H      -3.225863     10.228635      1.937747
  H      -5.584307      9.723463      2.538134
  H      -6.191350      7.457074      3.400206
  H      -2.261332      5.979520      5.362639
  H      -2.070099      6.254614      3.027411
  H     -11.020732     -2.594834      7.138772
  H      -9.941278     -1.339456      7.773445
  H      -9.883674     -2.987876      8.446000
  H      -9.014870     -3.863914      6.269432
  H      -7.945417     -2.612303      6.906669
  H     -10.602639     -3.314604      4.393334
  H     -10.968135     -1.964063      2.342251
  H      -9.675807      0.162090      2.005800
  H      -7.290566      2.687789      5.758931
  H      -7.598589     -0.528421      5.712197
  N      -3.262432      2.272848      3.144050
  H      -3.644524      1.755975      2.329670
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5658575-UqKm/orca E -6148.997265004121
  N      -2.142100      0.897379      5.687020
  Mo     -3.390580      2.447802      4.849446
  N      -5.213795      2.567834      5.665760
  C      -5.251767      3.406709      6.884508
  C      -4.462426      2.748629      8.015117
  N      -3.061136      2.559850      7.616353
  C      -2.446129      1.291301      8.036690
  C      -1.464553      0.790066      6.965233
  C      -2.191186      3.720335      7.891219
  C      -1.169086      3.942672      6.760389
  N      -1.898697      3.870149      5.504975
  H      -0.523937      1.350185      6.956070
  H      -1.211443     -0.265239      7.162257
  H      -1.948223      1.383679      9.018888
  H      -3.248755      0.547675      8.133567
  H      -0.720216      4.944991      6.861843
  H      -0.351431      3.215998      6.773044
  H      -2.828425      4.615278      7.952798
  H      -1.685652      3.606383      8.867415
  H      -6.299271      3.553052      7.188929
  H      -4.846395      4.405948      6.666170
  H      -4.894522      1.761498      8.223380
  H      -4.557714      3.358226      8.930517
  C      -4.143025     -4.468441      7.629717
  C      -5.507428     -3.929999      7.174071
  C      -5.501351     -3.530047      5.719744
  C      -5.839509     -4.441722      4.709373
  C      -5.790144     -4.076062      3.359730
  C      -5.372396     -2.801699      2.993384
  C      -5.012880     -1.878864      3.989420
  C      -4.524212     -0.545562      3.557956
  O      -4.617077     -0.130108      2.408081
  N      -3.897114      0.255175      4.545364
  C      -2.846652     -0.138264      5.237420
  C      -5.106665     -2.244742      5.341556
  C      -0.781558      8.111017      0.624545
  C      -1.069102      8.574992      2.058145
  C      -2.487577      8.290357      2.482432
  C      -3.490032      9.255735      2.345757
  C      -4.816531      8.976327      2.687143
  C      -5.162454      7.722363      3.173610
  C      -4.171193      6.741154      3.332923
  C      -4.617825      5.404049      3.820437
  O      -5.758018      4.986386      3.672100
  N      -3.685870      4.606280      4.506293
  C      -2.567916      4.952596      5.123346
  C      -2.845649      7.032414      2.976151
  C      -9.941648     -2.279059      7.610804
  C      -8.922503     -2.720304      6.553189
  C      -9.083614     -1.978236      5.252932
  C     -10.037512     -2.389882      4.309221
  C     -10.248785     -1.667144      3.133654
  C      -9.511632     -0.512528      2.884051
  C      -8.538527     -0.093904      3.805627
  C      -7.808347      1.174848      3.528694
  O      -8.184388      1.996915      2.701766
  N      -6.597382      1.369428      4.203020
  C      -6.452353      2.200529      5.159808
  C      -8.324868     -0.833704      4.976330
  H      -3.850187     -5.348527      7.039004
  H      -3.360571     -3.705190      7.502917
  H      -4.167845     -4.760675      8.689689
  H      -6.281436     -4.692875      7.342972
  H      -5.779614     -3.058776      7.791691
  H      -6.155993     -5.449873      4.985312
  H      -6.071856     -4.796579      2.591499
  H      -5.313460     -2.503370      1.947669
  H      -2.556103     -1.191425      5.376084
  H      -4.895286     -1.510371      6.121371
  H       0.248442      8.356172      0.333179
  H      -0.915217      7.026129      0.526575
  H      -1.460637      8.597104     -0.087013
  H      -0.372500      8.075822      2.747366
  H      -0.880337      9.654370      2.141925
  H      -3.225208     10.241441      1.959743
  H      -5.583570      9.741715      2.569050
  H      -6.191525      7.475249      3.432223
  H      -2.264421      5.980066      5.373610
  H      -2.074626      6.263283      3.038818
  H     -10.971635     -2.452344      7.264801
  H      -9.835719     -1.205842      7.826934
  H      -9.802100     -2.832917      8.549648
  H      -9.027581     -3.802643      6.372422
  H      -7.903808     -2.560054      6.936717
  H     -10.625830     -3.291119      4.504093
  H     -10.996230     -2.007064      2.413867
  H      -9.669643      0.081214      1.983499
  H      -7.305120      2.702906      5.646025
  H      -7.562905     -0.505751      5.687623
  N      -3.269481      2.286751      3.142697
  H      -3.622403      1.775476      2.314009
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5658575-UqKm/orca E -6148.997558637850
  N      -2.123304      0.899251      5.683013
  Mo     -3.386427      2.442553      4.847137
  N      -5.223904      2.552251      5.634820
  C      -5.286746      3.386981      6.854341
  C      -4.502780      2.729421      7.988155
  N      -3.096885      2.547889      7.596235
  C      -2.480996      1.281400      8.025694
  C      -1.472503      0.792087      6.974717
  C      -2.235114      3.711569      7.889191
  C      -1.194932      3.941144      6.776850
  N      -1.900347      3.871638      5.508039
  H      -0.536738      1.360064      6.988171
  H      -1.213114     -0.261200      7.174332
  H      -2.004461      1.372784      9.018340
  H      -3.280911      0.532597      8.102894
  H      -0.753538      4.945535      6.891463
  H      -0.373777      3.218797      6.801798
  H      -2.876891      4.604091      7.943197
  H      -1.743175      3.596060      8.872034
  H      -6.339710      3.519194      7.146200
  H      -4.889144      4.391341      6.644825
  H      -4.931899      1.739124      8.187967
  H      -4.607655      3.332204      8.907167
  C      -4.156548     -4.501247      7.604620
  C      -5.507283     -3.927314      7.152442
  C      -5.495223     -3.528741      5.697857
  C      -5.837911     -4.440025      4.687718
  C      -5.778860     -4.078169      3.337743
  C      -5.346595     -2.808246      2.970279
  C      -4.984304     -1.885179      3.965879
  C      -4.480638     -0.557427      3.535134
  O      -4.551765     -0.148555      2.380761
  N      -3.866021      0.245560      4.528808
  C      -2.813865     -0.141191      5.220459
  C      -5.087530     -2.246627      5.318528
  C      -0.789930      8.074714      0.643512
  C      -1.075490      8.577580      2.064478
  C      -2.492268      8.297642      2.499848
  C      -3.490086      9.270411      2.381385
  C      -4.815700      8.995904      2.732496
  C      -5.164903      7.739429      3.211309
  C      -4.178763      6.751151      3.353757
  C      -4.625073      5.411869      3.836067
  O      -5.768336      4.998717      3.695319
  N      -3.688903      4.604682      4.506107
  C      -2.574991      4.952371      5.127989
  C      -2.854023      7.037085      2.985951
  C      -9.882440     -2.161522      7.673331
  C      -8.905125     -2.667086      6.604584
  C      -9.075436     -1.958205      5.287374
  C     -10.050952     -2.377115      4.369468
  C     -10.265860     -1.683657      3.176357
  C      -9.510262     -0.551376      2.883759
  C      -8.517963     -0.125338      3.780899
  C      -7.768414      1.121521      3.459059
  O      -8.110547      1.902675      2.579727
  N      -6.571399      1.335868      4.156125
  C      -6.448648      2.188770      5.096141
  C      -8.301654     -0.835581      4.969357
  H      -3.888821     -5.390105      7.014761
  H      -3.354118     -3.759589      7.473409
  H      -4.185606     -4.791341      8.664846
  H      -6.301740     -4.668634      7.324860
  H      -5.754949     -3.048409      7.769686
  H      -6.164985     -5.445430      4.964345
  H      -6.063218     -4.799115      2.569382
  H      -5.281519     -2.513463      1.923562
  H      -2.513629     -1.192330      5.353848
  H      -4.874789     -1.511519      6.098023
  H       0.238299      8.317506      0.341473
  H      -0.915659      6.985699      0.576819
  H      -1.477104      8.534897     -0.078257
  H      -0.372457      8.102565      2.764794
  H      -0.892837      9.660139      2.116774
  H      -3.222542     10.258610      2.002694
  H      -5.578796      9.767182      2.627622
  H      -6.193611      7.497332      3.478096
  H      -2.275255      5.981296      5.376987
  H      -2.087595      6.261784      3.032786
  H     -10.925195     -2.314769      7.358263
  H      -9.735349     -1.086404      7.855936
  H      -9.734960     -2.689489      8.625499
  H      -9.051620     -3.749784      6.457173
  H      -7.872341     -2.527414      6.956205
  H     -10.653897     -3.260745      4.595926
  H     -11.031145     -2.027433      2.477207
  H      -9.670566      0.018842      1.967982
  H      -7.310379      2.710607      5.542604
  H      -7.524323     -0.502921      5.661443
  N      -3.266695      2.294376      3.141213
  H      -3.589521      1.790939      2.298232
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5658575-UqKm/orca E -6148.997863423869
  N      -2.094142      0.904694      5.681832
  Mo     -3.374483      2.435184      4.848119
  N      -5.224997      2.528244      5.617398
  C      -5.315098      3.356254      6.837496
  C      -4.526972      2.704632      7.971982
  N      -3.116970      2.536278      7.579898
  C      -2.493377      1.274929      8.017410
  C      -1.462366      0.800363      6.982526
  C      -2.265522      3.706277      7.885068
  C      -1.212409      3.944116      6.786960
  N      -1.899065      3.875860      5.508011
  H      -0.533685      1.379285      7.014507
  H      -1.192148     -0.249524      7.185158
  H      -2.032374      1.369386      9.017501
  H      -3.286564      0.517071      8.080766
  H      -0.778983      4.950955      6.912930
  H      -0.386693      3.227882      6.821283
  H      -2.913403      4.594571      7.932553
  H      -1.781158      3.592279      8.872038
  H      -6.372754      3.465074      7.121564
  H      -4.933732      4.369325      6.637204
  H      -4.948482      1.710189      8.168813
  H      -4.637644      3.301906      8.893811
  C      -4.166975     -4.525144      7.597025
  C      -5.503016     -3.914165      7.152005
  C      -5.489187     -3.518222      5.697037
  C      -5.841483     -4.430074      4.690178
  C      -5.775062     -4.075652      3.339100
  C      -5.326773     -2.812196      2.966442
  C      -4.956539     -1.887874      3.958271
  C      -4.431742     -0.569441      3.524194
  O      -4.478408     -0.170558      2.364903
  N      -3.826194      0.234222      4.523078
  C      -2.769202     -0.142675      5.209883
  C      -5.065496     -2.241907      5.312669
  C      -0.833335      8.024984      0.639509
  C      -1.095183      8.567818      2.051264
  C      -2.505527      8.299142      2.515234
  C      -3.494714      9.284902      2.429494
  C      -4.816440      9.018998      2.803116
  C      -5.170745      7.759246      3.273245
  C      -4.193193      6.759438      3.385796
  C      -4.637795      5.417154      3.857981
  O      -5.784043      5.008990      3.724173
  N      -3.696114      4.600972      4.510626
  C      -2.585532      4.952099      5.133692
  C      -2.872038      7.035592      2.995520
  C      -9.844460     -2.060271      7.701568
  C      -8.913184     -2.628716      6.620878
  C      -9.084901     -1.936442      5.293133
  C     -10.080602     -2.344839      4.394309
  C     -10.285696     -1.670979      3.187856
  C      -9.500681     -0.567696      2.864913
  C      -8.492036     -0.149878      3.745354
  C      -7.705790      1.064987      3.389987
  O      -8.008758      1.812587      2.466967
  N      -6.531016      1.295706      4.114958
  C      -6.432818      2.166231      5.042716
  C      -8.287182     -0.840438      4.946719
  H      -3.928415     -5.422995      7.008252
  H      -3.343894     -3.807968      7.458431
  H      -4.198104     -4.811970      8.657754
  H      -6.317666     -4.632286      7.330474
  H      -5.723163     -3.027914      7.769262
  H      -6.179638     -5.431022      4.970645
  H      -6.063138     -4.798437      2.573300
  H      -5.256390     -2.522840      1.917708
  H      -2.454774     -1.190058      5.342186
  H      -4.844081     -1.505041      6.088805
  H       0.190444      8.257770      0.314279
  H      -0.958953      6.933538      0.606575
  H      -1.534848      8.463234     -0.083565
  H      -0.379587      8.113548      2.754373
  H      -0.912240      9.652083      2.067976
  H      -3.224661     10.276594      2.058177
  H      -5.572628      9.799974      2.720531
  H      -6.197710      7.526777      3.556458
  H      -2.291211      5.983035      5.381024
  H      -2.115071      6.249405      3.014929
  H     -10.898999     -2.179731      7.413648
  H      -9.648545     -0.989171      7.859317
  H      -9.693368     -2.572877      8.663216
  H      -9.112450     -3.705264      6.496893
  H      -7.867586     -2.525999      6.944733
  H     -10.705620     -3.206765      4.641815
  H     -11.065038     -2.006661      2.502613
  H      -9.650813     -0.016611      1.937228
  H      -7.305372      2.702895      5.448661
  H      -7.493016     -0.519546      5.624082
  N      -3.255239      2.295249      3.141951
  H      -3.548930      1.800921      2.285054
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5658575-UqKm/orca E -6148.998084196592
  N      -2.058114      0.917052      5.682904
  Mo     -3.354596      2.428325      4.846780
  N      -5.212343      2.502683      5.608048
  C      -5.325040      3.326253      6.826549
  C      -4.527957      2.688100      7.962969
  N      -3.114347      2.536075      7.570532
  C      -2.476263      1.282858      8.013675
  C      -1.432202      0.821685      6.986602
  C      -2.275818      3.715779      7.878085
  C      -1.220046      3.961603      6.785900
  N      -1.899989      3.888065      5.503766
  H      -0.511910      1.412415      7.027257
  H      -1.148568     -0.224076      7.192218
  H      -2.022652      1.385988      9.016117
  H      -3.258635      0.513754      8.072793
  H      -0.796197      4.971867      6.916300
  H      -0.387762      3.254241      6.823942
  H      -2.931740      4.598064      7.920769
  H      -1.793211      3.608229      8.866459
  H      -6.385474      3.411104      7.107957
  H      -4.964243      4.347885      6.631426
  H      -4.937754      1.689662      8.164036
  H      -4.643437      3.286806      8.883552
  C      -4.209698     -4.550516      7.604969
  C      -5.525534     -3.903697      7.152401
  C      -5.493632     -3.508727      5.698478
  C      -5.857154     -4.417829      4.692362
  C      -5.776805     -4.069254      3.341782
  C      -5.304090     -2.813799      2.968566
  C      -4.922721     -1.891735      3.958894
  C      -4.375265     -0.582919      3.521099
  O      -4.399715     -0.193617      2.358395
  N      -3.778486      0.222477      4.524458
  C      -2.717886     -0.139820      5.209519
  C      -5.043863     -2.240451      5.313504
  C      -0.876835      7.987152      0.635207
  C      -1.119262      8.546533      2.044452
  C      -2.524942      8.289688      2.527128
  C      -3.504620      9.288520      2.472520
  C      -4.823380      9.030593      2.861686
  C      -5.185407      7.767677      3.318713
  C      -4.216176      6.756661      3.403802
  C      -4.658952      5.412101      3.868235
  O      -5.805670      5.001978      3.734148
  N      -3.709835      4.594444      4.511726
  C      -2.602681      4.955494      5.133999
  C      -2.898151      7.023437      2.997340
  C      -9.821181     -2.000343      7.706293
  C      -8.921043     -2.610855      6.620750
  C      -9.090140     -1.925083      5.288017
  C     -10.101311     -2.318622      4.400490
  C     -10.300865     -1.650775      3.188460
  C      -9.496312     -0.566936      2.850309
  C      -8.473838     -0.161975      3.721172
  C      -7.668442      1.035484      3.352269
  O      -7.944191      1.759827      2.401719
  N      -6.496204      1.268960      4.084996
  C      -6.408264      2.143043      5.010244
  C      -8.275004     -0.847555      4.927431
  H      -3.992656     -5.455157      7.018348
  H      -3.365857     -3.856741      7.470751
  H      -4.255414     -4.835826      8.664934
  H      -6.360102     -4.600784      7.326119
  H      -5.726195     -3.012079      7.768573
  H      -6.216055     -5.412330      4.973249
  H      -6.073465     -4.790435      2.576196
  H      -5.224399     -2.527592      1.919566
  H      -2.386678     -1.181296      5.347193
  H      -4.811076     -1.504611      6.087254
  H       0.144944      8.207890      0.296386
  H      -1.009902      6.896314      0.615677
  H      -1.584172      8.421726     -0.083821
  H      -0.397809      8.096698      2.744325
  H      -0.930524      9.629921      2.045627
  H      -3.230592     10.283743      2.113078
  H      -5.571623      9.821608      2.801096
  H      -6.211042      7.544906      3.614554
  H      -2.318562      5.989399      5.381621
  H      -2.150536      6.226935      2.995972
  H     -10.881420     -2.092517      7.432546
  H      -9.593324     -0.933048      7.849651
  H      -9.671364     -2.505981      8.672457
  H      -9.157045     -3.681163      6.509944
  H      -7.869054     -2.537588      6.929876
  H     -10.742984     -3.164508      4.659097
  H     -11.093124     -1.974011      2.511662
  H      -9.643304     -0.021437      1.918063
  H      -7.284921      2.686562      5.397147
  H      -7.469248     -0.540084      5.596422
  N      -3.228604      2.294224      3.141413
  H      -3.503622      1.806277      2.276256
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5658575-UqKm/orca E -6148.998317962836
  N      -2.022476      0.923520      5.687757
  Mo     -3.332035      2.419352      4.851145
  N      -5.200391      2.471984      5.591564
  C      -5.344393      3.288074      6.810098
  C      -4.540526      2.664273      7.950548
  N      -3.122540      2.528487      7.559025
  C      -2.475827      1.281700      8.012510
  C      -1.411890      0.833636      7.000080
  C      -2.296362      3.716425      7.876463
  C      -1.227587      3.969752      6.797596
  N      -1.894661      3.893199      5.507116
  H      -0.497461      1.432285      7.057013
  H      -1.122131     -0.209663      7.209509
  H      -2.040165      1.391746      9.022911
  H      -3.249884      0.502637      8.058198
  H      -0.811141      4.982462      6.934876
  H      -0.390056      3.269201      6.844473
  H      -2.959919      4.593341      7.908116
  H      -1.827125      3.613561      8.872520
  H      -6.408597      3.342475      7.085883
  H      -5.009130      4.320587      6.624412
  H      -4.938501      1.662016      8.156547
  H      -4.659773      3.265472      8.868839
  C      -4.217167     -4.571719      7.607683
  C      -5.518110     -3.893623      7.159375
  C      -5.482200     -3.498985      5.705572
  C      -5.861149     -4.403998      4.701723
  C      -5.778474     -4.059552      3.350106
  C      -5.289315     -2.811700      2.974080
  C      -4.893021     -1.894186      3.961854
  C      -4.324301     -0.596238      3.519340
  O      -4.318051     -0.218867      2.353030
  N      -3.733681      0.209151      4.528482
  C      -2.671511     -0.141308      5.213927
  C      -5.013873     -2.239837      5.317634
  C      -0.938059      7.936583      0.617807
  C      -1.155519      8.527920      2.018904
  C      -2.551183      8.279742      2.533056
  C      -3.522339      9.288406      2.515737
  C      -4.832851      9.036586      2.934774
  C      -5.196699      7.771363      3.385117
  C      -4.234277      6.751375      3.434785
  C      -4.674050      5.405170      3.893123
  O      -5.822949      4.997346      3.769670
  N      -3.716333      4.586033      4.522629
  C      -2.612579      4.953572      5.145188
  C      -2.924676      7.011331      3.000023
  C      -9.791871     -1.910909      7.703452
  C      -8.940318     -2.576732      6.613047
  C      -9.100970     -1.899110      5.275851
  C     -10.137258     -2.264440      4.406395
  C     -10.327336     -1.602774      3.189760
  C      -9.489314     -0.552498      2.829527
  C      -8.443184     -0.172485      3.683900
  C      -7.602640      0.992352      3.292130
  O      -7.843549      1.689817      2.311103
  N      -6.445295      1.232882      4.041617
  C      -6.380687      2.111904      4.963926
  C      -8.254328     -0.853053      4.894752
  H      -4.024031     -5.480865      7.020399
  H      -3.357222     -3.899174      7.471456
  H      -4.267304     -4.856123      8.667828
  H      -6.367554     -4.571426      7.334625
  H      -5.696366     -2.998571      7.777055
  H      -6.233492     -5.392054      4.985028
  H      -6.085812     -4.777519      2.586355
  H      -5.206027     -2.526903      1.924247
  H      -2.326921     -1.178163      5.357143
  H      -4.761078     -1.507720      6.088253
  H       0.077142      8.153161      0.255548
  H      -1.067413      6.843541      0.627438
  H      -1.661009      8.352018     -0.099944
  H      -0.421028      8.094945      2.718031
  H      -0.967980      9.612050      1.990603
  H      -3.249205     10.286263      2.162168
  H      -5.573941      9.835560      2.902278
  H      -6.217068      7.555926      3.702894
  H      -2.339733      5.988040      5.403244
  H      -2.186921      6.206925      2.972295
  H     -10.859488     -1.958413      7.449693
  H      -9.515920     -0.853350      7.825963
  H      -9.648196     -2.409188      8.672833
  H      -9.229254     -3.634728      6.520834
  H      -7.880810     -2.549748      6.902979
  H     -10.805995     -3.083477      4.682075
  H     -11.139853     -1.903869      2.526701
  H      -9.628486     -0.013034      1.892730
  H      -7.265449      2.659431      5.326212
  H      -7.429274     -0.569259      5.549308
  N      -3.200405      2.285732      3.144453
  H      -3.457799      1.806950      2.268401
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5658575-UqKm/orca E -6148.992882789201
  N      -1.974961      0.932321      5.689237
  Mo     -3.304644      2.406525      4.852923
  N      -5.179565      2.431890      5.571738
  C      -5.351688      3.239852      6.791412
  C      -4.538622      2.634458      7.934760
  N      -3.117543      2.521186      7.544122
  C      -2.455929      1.284493      8.007360
  C      -1.374634      0.852245      7.007608
  C      -2.311087      3.721208      7.871075
  C      -1.235755      3.989436      6.803791
  N      -1.893862      3.903208      5.508205
  H      -0.468876      1.461541      7.075273
  H      -1.075553     -0.188013      7.219662
  H      -2.038805      1.404563      9.023526
  H      -3.217177      0.493184      8.041319
  H      -0.834236      5.007252      6.945452
  H      -0.388652      3.301606      6.855717
  H      -2.987617      4.588064      7.892863
  H      -1.856463      3.625843      8.873958
  H      -6.417375      3.262867      7.064645
  H      -5.045963      4.282757      6.613234
  H      -4.918899      1.626803      8.146500
  H      -4.663495      3.240236      8.848850
  C      -4.240639     -4.604038      7.618603
  C      -5.521608     -3.888011      7.170357
  C      -5.474684     -3.495111      5.716226
  C      -5.876955     -4.392490      4.714119
  C      -5.788768     -4.052345      3.361933
  C      -5.272865     -2.815822      2.984391
  C      -4.853322     -1.906503      3.970151
  C      -4.261437     -0.621139      3.521373
  O      -4.233453     -0.254350      2.353735
  N      -3.676509      0.188822      4.532932
  C      -2.611760     -0.143716      5.220501
  C      -4.977238     -2.248742      5.326438
  C      -0.990801      7.903178      0.618472
  C      -1.200010      8.507714      2.014176
  C      -2.589773      8.262773      2.544307
  C      -3.556822      9.276445      2.555950
  C      -4.861565      9.025806      2.993000
  C      -5.224772      7.757385      3.432999
  C      -4.264186      6.732609      3.454774
  C      -4.698667      5.384023      3.910537
  O      -5.846452      4.972337      3.794625
  N      -3.729467      4.569871      4.529017
  C      -2.631097      4.951959      5.151910
  C      -2.960933      6.991446      3.003380
  C      -9.757516     -1.814108      7.703546
  C      -8.960378     -2.528974      6.602840
  C      -9.116389     -1.857685      5.261107
  C     -10.174077     -2.197423      4.408032
  C     -10.355324     -1.541920      3.186477
  C      -9.486682     -0.524793      2.803918
  C      -8.419680     -0.168276      3.642789
  C      -7.541530      0.959295      3.226085
  O      -7.745060      1.628509      2.217407
  N      -6.393843      1.198857      3.989754
  C      -6.347976      2.074883      4.917833
  C      -8.240764     -0.842622      4.859125
  H      -4.074446     -5.518084      7.030737
  H      -3.361372     -3.956765      7.483381
  H      -4.299704     -4.886927      8.678862
  H      -6.389394     -4.542456      7.344802
  H      -5.673890     -2.988535      7.788582
  H      -6.272647     -5.370812      4.999136
  H      -6.115357     -4.763127      2.599873
  H      -5.185116     -2.532582      1.934616
  H      -2.250108     -1.173741      5.370699
  H      -4.700652     -1.523346      6.094211
  H       0.021791      8.115126      0.248258
  H      -1.121667      6.811894      0.638302
  H      -1.715156      8.313548     -0.098145
  H      -0.460384      8.082459      2.711060
  H      -1.014349      9.591094      1.974717
  H      -3.285975     10.276972      2.209919
  H      -5.599078      9.829544      2.983508
  H      -6.240956      7.543668      3.764544
  H      -2.376781      5.988257      5.422354
  H      -2.226965      6.183302      2.961873
  H     -10.832445     -1.813890      7.473346
  H      -9.435645     -0.767555      7.805098
  H      -9.615988     -2.309350      8.675623
  H      -9.297783     -3.574105      6.530051
  H      -7.894781     -2.549216      6.872696
  H     -10.864759     -2.992237      4.701231
  H     -11.183327     -1.824675      2.535779
  H      -9.615329      0.007162      1.861575
  H      -7.238688      2.622600      5.265152
  H      -7.397003     -0.581505      5.499208
  N      -3.161484      2.277346      3.146904
  H      -3.401743      1.807563      2.261401
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5658575-UqKm/orca E -6148.998506479317
  N      -1.930650      0.940853      5.692625
  Mo     -3.280142      2.394520      4.856844
  N      -5.161830      2.394464      5.551980
  C      -5.361836      3.194185      6.772291
  C      -4.541527      2.605884      7.918745
  N      -3.117679      2.513452      7.528943
  C      -2.443307      1.286349      8.003142
  C      -1.343431      0.869638      7.018186
  C      -2.330345      3.724482      7.866675
  C      -1.246672      4.006604      6.812767
  N      -1.893066      3.911751      5.510721
  H      -0.446289      1.488984      7.098118
  H      -1.035981     -0.167642      7.233444
  H      -2.046669      1.415164      9.025641
  H      -3.192352      0.483750      8.023906
  H      -0.859495      5.028994      6.959455
  H      -0.391018      3.330654      6.871524
  H      -3.018709      4.581859      7.877608
  H      -1.891989      3.635580      8.876798
  H      -6.428460      3.187466      7.041774
  H      -5.084055      4.246054      6.601318
  H      -4.905520      1.593476      8.135237
  H      -4.671978      3.215438      8.829140
  C      -4.259610     -4.636780      7.626401
  C      -5.520653     -3.884740      7.179364
  C      -5.463991     -3.492820      5.725149
  C      -5.887247     -4.382138      4.724045
  C      -5.793938     -4.045216      3.371473
  C      -5.253916     -2.819315      2.993308
  C      -4.813803     -1.918468      3.977892
  C      -4.201064     -0.644628      3.524589
  O      -4.152078     -0.287765      2.356066
  N      -3.622692      0.169888      4.538831
  C      -2.555611     -0.145641      5.228249
  C      -4.940532     -2.258415      5.334441
  C      -1.039558      7.864799      0.620455
  C      -1.243325      8.487345      2.008155
  C      -2.627384      8.245289      2.553106
  C      -3.590759      9.262716      2.589422
  C      -4.889772      9.013072      3.043434
  C      -5.251733      7.742436      3.476323
  C      -4.292800      6.714011      3.474174
  C      -4.721886      5.363818      3.929693
  O      -5.869034      4.948903      3.823690
  N      -3.741370      4.554272      4.536312
  C      -2.648301      4.949538      5.159753
  C      -2.995808      6.971887      3.006986
  C      -9.709655     -1.721969      7.704868
  C      -8.976258     -2.483028      6.590235
  C      -9.131270     -1.814229      5.246443
  C     -10.212311     -2.123261      4.411844
  C     -10.387256     -1.470843      3.187501
  C      -9.488558     -0.488942      2.782752
  C      -8.398745     -0.160881      3.604171
  C      -7.484383      0.927729      3.163313
  O      -7.651894      1.566511      2.128665
  N      -6.345588      1.167058      3.940035
  C      -6.317881      2.041112      4.872168
  C      -8.227353     -0.831900      4.823860
  H      -4.119580     -5.554407      7.037370
  H      -3.362680     -4.014095      7.491975
  H      -4.326539     -4.918645      8.686624
  H      -6.405355     -4.516324      7.353126
  H      -5.647611     -2.982112      7.798728
  H      -6.303876     -5.351288      5.010029
  H      -6.137607     -4.748633      2.610485
  H      -5.161676     -2.537121      1.943781
  H      -2.178168     -1.169113      5.384373
  H      -4.642540     -1.540233      6.100146
  H      -0.029689      8.073002      0.242612
  H      -1.169242      6.774985      0.654511
  H      -1.765796      8.265582     -0.097383
  H      -0.498540      8.073826      2.705264
  H      -1.061624      9.570110      1.953773
  H      -3.322414     10.265142      2.248538
  H      -5.624075      9.820487      3.053583
  H      -6.263668      7.530120      3.820952
  H      -2.411333      5.987069      5.441933
  H      -2.265057      6.160772      2.953900
  H     -10.789825     -1.669415      7.501967
  H      -9.338520     -0.690300      7.786702
  H      -9.567934     -2.217010      8.677603
  H      -9.364665     -3.511423      6.535945
  H      -7.904915     -2.554971      6.834931
  H     -10.924658     -2.892329      4.722272
  H     -11.232588     -1.731154      2.550787
  H      -9.608972      0.037794      1.836532
  H      -7.213742      2.590290      5.203552
  H      -7.364192     -0.597143      5.448088
  N      -3.127099      2.269470      3.151565
  H      -3.350385      1.808707      2.257091
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5658575-UqKm/orca E -6148.998677612532
  N      -1.945621      0.939893      5.704408
  Mo     -3.283879      2.399256      4.862751
  N      -5.163082      2.399780      5.564245
  C      -5.354429      3.201811      6.785734
  C      -4.540053      2.610163      7.935414
  N      -3.114399      2.515579      7.555230
  C      -2.441786      1.285399      8.021169
  C      -1.350091      0.866333      7.026403
  C      -2.325852      3.725762      7.888014
  C      -1.247543      4.009828      6.827131
  N      -1.900633      3.913940      5.528357
  H      -0.450474      1.484508      7.098271
  H      -1.043572     -0.172159      7.237291
  H      -2.036945      1.410147      9.041321
  H      -3.194034      0.485301      8.046291
  H      -0.859728      5.032664      6.969751
  H      -0.391358      3.332735      6.881190
  H      -3.015309      4.582684      7.902173
  H      -1.883381      3.637657      8.896548
  H      -6.421845      3.204823      7.054772
  H      -5.067696      4.250832      6.611841
  H      -4.907042      1.598064      8.149056
  H      -4.677038      3.219763      8.845282
  C      -4.258360     -4.635839      7.610835
  C      -5.526544     -3.894110      7.165696
  C      -5.472350     -3.496002      5.712388
  C      -5.897823     -4.378777      4.707145
  C      -5.807573     -4.033666      3.355772
  C      -5.267983     -2.806560      2.983057
  C      -4.825706     -1.912205      3.972143
  C      -4.213979     -0.636364      3.525615
  O      -4.163995     -0.273822      2.358315
  N      -3.636026      0.175923      4.542167
  C      -2.573635     -0.144008      5.238313
  C      -4.949916     -2.259457      5.327275
  C      -1.038104      7.877768      0.595318
  C      -1.235443      8.485333      1.990661
  C      -2.619165      8.241973      2.537270
  C      -3.582787      9.258083      2.568460
  C      -4.881281      9.009903      3.024606
  C      -5.241995      7.740292      3.462466
  C      -4.283254      6.712550      3.464055
  C      -4.714828      5.362405      3.921871
  O      -5.859680      4.944499      3.805600
  N      -3.740137      4.556665      4.541370
  C      -2.649403      4.953016      5.169731
  C      -2.986362      6.970042      2.996174
  C      -9.718989     -1.734265      7.701520
  C      -8.966346     -2.487433      6.595575
  C      -9.117151     -1.824276      5.250727
  C     -10.188016     -2.147910      4.407071
  C     -10.363827     -1.496658      3.183270
  C      -9.475764     -0.502313      2.787280
  C      -8.395639     -0.161441      3.617002
  C      -7.498686      0.945395      3.185759
  O      -7.686254      1.601529      2.165855
  N      -6.352609      1.179686      3.955438
  C      -6.323718      2.042886      4.896226
  C      -8.222082     -0.831336      4.836214
  H      -4.109373     -5.549277      7.017657
  H      -3.367942     -4.003608      7.479595
  H      -4.322678     -4.922944      8.670023
  H      -6.404693     -4.534806      7.336534
  H      -5.662397     -2.994984      7.788063
  H      -6.314366     -5.348855      4.989018
  H      -6.154678     -4.731265      2.591728
  H      -5.178201     -2.518661      1.934954
  H      -2.201194     -1.168934      5.396552
  H      -4.651690     -1.545946      6.097531
  H      -0.028163      8.087286      0.217820
  H      -1.172883      6.787791      0.616587
  H      -1.763860      8.291054     -0.117483
  H      -0.490058      8.060469      2.681326
  H      -1.049585      9.568333      1.949526
  H      -3.314692     10.258939      2.222173
  H      -5.615673      9.816781      3.032797
  H      -6.253601      7.527107      3.807082
  H      -2.413171      5.990820      5.450838
  H      -2.255336      6.159918      2.946677
  H     -10.797371     -1.693650      7.486866
  H      -9.359315     -0.698340      7.785883
  H      -9.582975     -2.225886      8.674934
  H      -9.339879     -3.521448      6.538807
  H      -7.895511     -2.545511      6.850635
  H     -10.892623     -2.925468      4.712325
  H     -11.202742     -1.766812      2.540230
  H      -9.598625      0.027006      1.842417
  H      -7.220470      2.578816      5.244353
  H      -7.368263     -0.582527      5.468179
  N      -3.127058      2.272144      3.157060
  H      -3.355314      1.809184      2.263830
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5658575-UqKm/orca E -6148.998844187928
  N      -1.952014      0.935093      5.711548
  Mo     -3.284222      2.401097      4.868016
  N      -5.164414      2.402489      5.567491
  C      -5.349447      3.208543      6.788724
  C      -4.542310      2.611947      7.939408
  N      -3.117175      2.513796      7.562872
  C      -2.449203      1.281814      8.029274
  C      -1.358337      0.859598      7.034187
  C      -2.330732      3.723014      7.900164
  C      -1.249404      4.009295      6.841807
  N      -1.897300      3.911825      5.540578
  H      -0.457652      1.478090      7.101263
  H      -1.052419     -0.179115      7.244709
  H      -2.043824      1.402842      9.049881
  H      -3.205378      0.485131      8.053963
  H      -0.863393      5.033243      6.982558
  H      -0.393378      3.330722      6.898427
  H      -3.022270      4.578961      7.910755
  H      -1.893226      3.635517      8.911062
  H      -6.417855      3.222841      7.054617
  H      -5.051154      4.253547      6.610225
  H      -4.913224      1.600122      8.148358
  H      -4.684145      3.218791      8.850138
  C      -4.253140     -4.634179      7.585162
  C      -5.529132     -3.902552      7.144608
  C      -5.480345     -3.499648      5.691830
  C      -5.912175     -4.374328      4.683031
  C      -5.824095     -4.021638      3.332660
  C      -5.279125     -2.795950      2.964441
  C      -4.831536     -1.909266      3.957881
  C      -4.215098     -0.633621      3.521035
  O      -4.159484     -0.266080      2.354744
  N      -3.643367      0.177222      4.542448
  C      -2.583117     -0.146402      5.243142
  C      -4.955313     -2.262170      5.311532
  C      -1.020606      7.901846      0.596235
  C      -1.229144      8.498014      1.994848
  C      -2.615950      8.243648      2.530768
  C      -3.588586      9.249854      2.540713
  C      -4.889656      8.995235      2.986697
  C      -5.242303      7.726205      3.432790
  C      -4.276002      6.707291      3.453486
  C      -4.703987      5.356377      3.917538
  O      -5.847901      4.935250      3.802343
  N      -3.730907      4.555034      4.543819
  C      -2.642985      4.952669      5.177955
  C      -2.976201      6.972629      2.996238
  C      -9.723277     -1.719869      7.717644
  C      -8.963068     -2.477405      6.622034
  C      -9.108847     -1.826420      5.271698
  C     -10.173359     -2.163233      4.423916
  C     -10.348309     -1.521000      3.195595
  C      -9.464209     -0.523452      2.798593
  C      -8.389975     -0.171574      3.631416
  C      -7.501925      0.942311      3.195154
  O      -7.698288      1.596900      2.177431
  N      -6.352241      1.183173      3.961923
  C      -6.327482      2.037342      4.909356
  C      -8.217040     -0.831809      4.855593
  H      -4.097475     -5.543913      6.987953
  H      -3.369103     -3.993001      7.454015
  H      -4.312204     -4.925556      8.643625
  H      -6.401594     -4.550787      7.315224
  H      -5.671709     -3.006095      7.769196
  H      -6.332400     -5.343773      4.961612
  H      -6.177916     -4.712583      2.565775
  H      -5.192023     -2.503405      1.917294
  H      -2.216247     -1.173293      5.401987
  H      -4.658134     -1.553183      6.086559
  H      -0.008820      8.120595      0.226905
  H      -1.150227      6.810194      0.607587
  H      -1.744459      8.318015     -0.118825
  H      -0.485111      8.070926      2.686308
  H      -1.048581      9.582508      1.965083
  H      -3.324679     10.249026      2.187132
  H      -5.631005      9.795036      2.981025
  H      -6.255137      7.504730      3.768943
  H      -2.410255      5.990974      5.459352
  H      -2.237156      6.169900      2.959916
  H     -10.799392     -1.683193      7.495817
  H      -9.362925     -0.683045      7.796615
  H      -9.593243     -2.203647      8.695344
  H      -9.331157     -3.514294      6.571047
  H      -7.895953     -2.528709      6.884183
  H     -10.875029     -2.942272      4.732029
  H     -11.183742     -1.799702      2.550574
  H      -9.586192      0.001927      1.851222
  H      -7.228409      2.557115      5.270678
  H      -7.369452     -0.571101      5.491320
  N      -3.123058      2.272892      3.163679
  H      -3.352148      1.811105      2.269901
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5658575-UqKm/orca E -6148.998995501929
  N      -1.945017      0.938247      5.724558
  Mo     -3.275961      2.401497      4.877905
  N      -5.157923      2.387182      5.575121
  C      -5.345438      3.191090      6.798429
  C      -4.541484      2.593769      7.950654
  N      -3.113399      2.507001      7.583978
  C      -2.437412      1.277917      8.044633
  C      -1.347794      0.863984      7.045051
  C      -2.338336      3.722154      7.923437
  C      -1.259028      4.021220      6.866288
  N      -1.904213      3.919405      5.564470
  H      -0.452358      1.491035      7.106756
  H      -1.031518     -0.172107      7.252559
  H      -2.028142      1.397457      9.063488
  H      -3.189032      0.477175      8.070796
  H      -0.882746      5.048721      7.007471
  H      -0.397855      3.348861      6.922506
  H      -3.037784      4.571523      7.933596
  H      -1.900830      3.638302      8.934014
  H      -6.414843      3.205279      7.060267
  H      -5.045659      4.235798      6.619874
  H      -4.908038      1.578405      8.151334
  H      -4.696969      3.193992      8.863718
  C      -4.273850     -4.647146      7.554160
  C      -5.546728     -3.905262      7.121156
  C      -5.498454     -3.494308      5.670359
  C      -5.950739     -4.352600      4.656970
  C      -5.860342     -3.991597      3.308583
  C      -5.292495     -2.774626      2.946600
  C      -4.826685     -1.903073      3.945190
  C      -4.191836     -0.634209      3.518419
  O      -4.115664     -0.268197      2.352085
  N      -3.628612      0.175102      4.545984
  C      -2.569743     -0.145060      5.250822
  C      -4.952612     -2.262813      5.296886
  C      -1.041933      7.906500      0.578336
  C      -1.239588      8.490265      1.983818
  C      -2.624223      8.233548      2.525220
  C      -3.599787      9.237095      2.529037
  C      -4.900859      8.981773      2.975361
  C      -5.249461      7.713021      3.426814
  C      -4.280811      6.697138      3.454027
  C      -4.705580      5.345274      3.919131
  O      -5.846431      4.919188      3.796831
  N      -3.733369      4.549751      4.553167
  C      -2.652632      4.956002      5.195110
  C      -2.980491      6.963471      2.997190
  C      -9.716696     -1.660923      7.730608
  C      -8.960480     -2.444379      6.650565
  C      -9.094905     -1.815590      5.288290
  C     -10.148792     -2.170395      4.434475
  C     -10.313330     -1.548647      3.194041
  C      -9.428885     -0.553203      2.791050
  C      -8.365147     -0.184895      3.629534
  C      -7.477063      0.926931      3.183627
  O      -7.673054      1.572833      2.161318
  N      -6.329171      1.176883      3.952736
  C      -6.317225      2.015713      4.914750
  C      -8.201948     -0.825007      4.865698
  H      -4.126025     -5.554111      6.950614
  H      -3.386430     -4.010423      7.423870
  H      -4.331351     -4.944478      8.611028
  H      -6.423053     -4.548784      7.290141
  H      -5.682541     -3.010967      7.750610
  H      -6.388930     -5.315552      4.930843
  H      -6.231161     -4.669551      2.538070
  H      -5.204684     -2.476514      1.900892
  H      -2.199667     -1.170388      5.412627
  H      -4.643766     -1.564305      6.077511
  H      -0.030503      8.122528      0.206306
  H      -1.178922      6.815775      0.579012
  H      -1.766365      8.334796     -0.129111
  H      -0.491805      8.055002      2.666177
  H      -1.056990      9.574649      1.963775
  H      -3.338121     10.235312      2.169578
  H      -5.644643      9.779601      2.964909
  H      -6.262329      7.488781      3.761843
  H      -2.429527      5.997168      5.473278
  H      -2.239385      6.162120      2.964442
  H     -10.791094     -1.616087      7.503205
  H      -9.342196     -0.627752      7.794040
  H      -9.596347     -2.129016      8.717474
  H      -9.338234     -3.478611      6.615332
  H      -7.896187     -2.501266      6.918682
  H     -10.850517     -2.947197      4.748377
  H     -11.140672     -1.840695      2.544887
  H      -9.542607     -0.042079      1.834793
  H      -7.226380      2.514642      5.285248
  H      -7.362120     -0.551238      5.506414
  N      -3.106204      2.276381      3.174812
  H      -3.325428      1.818799      2.276874
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5658575-UqKm/orca E -6148.999219158317
  N      -1.911803      0.944833      5.742240
  Mo     -3.250251      2.396486      4.894826
  N      -5.138492      2.349894      5.576585
  C      -5.344885      3.147758      6.801232
  C      -4.542721      2.555001      7.956229
  N      -3.110689      2.493020      7.600190
  C      -2.418368      1.273028      8.061165
  C      -1.319313      0.877114      7.064925
  C      -2.361332      3.721064      7.950953
  C      -1.275767      4.041733      6.906450
  N      -1.905189      3.930806      5.597066
  H      -0.435543      1.520948      7.127463
  H      -0.984402     -0.152939      7.272476
  H      -2.014292      1.395215      9.081751
  H      -3.158267      0.461378      8.082820
  H      -0.918862      5.075431      7.052310
  H      -0.404897      3.382541      6.970753
  H      -3.076148      4.557488      7.951570
  H      -1.934666      3.644833      8.966486
  H      -6.416647      3.149388      7.053429
  H      -5.053872      4.195652      6.626126
  H      -4.896566      1.532859      8.145885
  H      -4.717759      3.144619      8.872585
  C      -4.318089     -4.679555      7.501645
  C      -5.578098     -3.907779      7.082869
  C      -5.526928     -3.481637      5.636443
  C      -6.018105     -4.308420      4.615660
  C      -5.919713     -3.935005      3.270926
  C      -5.305875     -2.737633      2.919752
  C      -4.804496     -1.895592      3.926606
  C      -4.128088     -0.644076      3.515185
  O      -4.009677     -0.285892      2.349717
  N      -3.582480      0.163237      4.554525
  C      -2.522371     -0.144941      5.262264
  C      -4.937399     -2.266085      5.274577
  C      -1.087891      7.905066      0.562616
  C      -1.274834      8.476562      1.974725
  C      -2.655731      8.213315      2.522533
  C      -3.638947      9.209827      2.518325
  C      -4.938754      8.948967      2.965767
  C      -5.277496      7.680438      3.426074
  C      -4.301655      6.672407      3.462363
  C      -4.715092      5.319360      3.933742
  O      -5.852189      4.882718      3.811464
  N      -3.735470      4.534604      4.570246
  C      -2.666721      4.956981      5.222720
  C      -3.002131      6.944181      3.004645
  C      -9.686185     -1.520827      7.753623
  C      -8.965970     -2.371186      6.699916
  C      -9.077342     -1.783266      5.317128
  C     -10.126600     -2.151162      4.463443
  C     -10.270258     -1.566938      3.202058
  C      -9.369601     -0.594337      2.778671
  C      -8.310939     -0.212738      3.617104
  C      -7.408724      0.878235      3.143961
  O      -7.586606      1.488714      2.097804
  N      -6.267719      1.151788      3.918990
  C      -6.284794      1.964454      4.903167
  C      -8.167638     -0.817105      4.873920
  H      -4.192071     -5.581795      6.886026
  H      -3.418759     -4.059030      7.374232
  H      -4.376633     -4.988146      8.555223
  H      -6.466555     -4.535761      7.247764
  H      -5.694423     -3.017679      7.722522
  H      -6.492748     -5.256243      4.881371
  H      -6.320950     -4.588299      2.494562
  H      -5.211916     -2.430566      1.876710
  H      -2.141449     -1.165494      5.429704
  H      -4.601275     -1.588787      6.063048
  H      -0.077402      8.119753      0.186931
  H      -1.230223      6.814934      0.553801
  H      -1.814427      8.343406     -0.136603
  H      -0.521235      8.036270      2.647249
  H      -1.093983      9.561407      1.962924
  H      -3.384069     10.207358      2.151408
  H      -5.688354      9.741336      2.948779
  H      -6.288963      7.449932      3.761777
  H      -2.464660      6.002032      5.502060
  H      -2.255239      6.147442      2.977969
  H     -10.757567     -1.436774      7.524925
  H      -9.264068     -0.504353      7.783402
  H      -9.584863     -1.960481      8.755934
  H      -9.386995     -3.389251      6.698511
  H      -7.907287     -2.462939      6.971945
  H     -10.841237     -2.908764      4.794968
  H     -11.094475     -1.868398      2.553733
  H      -9.466512     -0.110247      1.806604
  H      -7.209794      2.427007      5.282223
  H      -7.330634     -0.535873      5.514883
  N      -3.063993      2.276813      3.193749
  H      -3.261485      1.829361      2.286379
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5658575-UqKm/orca E -6148.999436588745
  N      -1.878546      0.950953      5.756301
  Mo     -3.226686      2.389753      4.910384
  N      -5.119999      2.313486      5.576703
  C      -5.345876      3.102666      6.803490
  C      -4.542285      2.514416      7.959569
  N      -3.107321      2.478364      7.611296
  C      -2.396769      1.269041      8.073488
  C      -1.289284      0.891117      7.080490
  C      -2.383172      3.718859      7.972265
  C      -1.292352      4.059776      6.940400
  N      -1.907341      3.940449      5.624462
  H      -0.417060      1.550024      7.144944
  H      -0.937029     -0.132857      7.288877
  H      -1.997876      1.396422      9.095079
  H      -3.123193      0.445752      8.092184
  H      -0.953925      5.098798      7.091630
  H      -0.412322      3.414165      7.012449
  H      -3.112061      4.542623      7.964619
  H      -1.966681      3.648923      8.992045
  H      -6.419054      3.089135      7.047785
  H      -5.066916      4.154833      6.634333
  H      -4.881460      1.485472      8.138908
  H      -4.733109      3.093089      8.879549
  C      -4.357343     -4.714238      7.457318
  C      -5.603149     -3.910780      7.055917
  C      -5.551028     -3.469129      5.614258
  C      -6.080481     -4.264681      4.588139
  C      -5.977028     -3.880153      3.246779
  C      -5.321045     -2.703050      2.904255
  C      -4.784717     -1.890103      3.917107
  C      -4.069642     -0.656853      3.516641
  O      -3.910909     -0.310432      2.352495
  N      -3.537937      0.149364      4.564546
  C      -2.475255     -0.145617      5.272468
  C      -4.921485     -2.270742      5.261662
  C      -1.134878      7.902823      0.550297
  C      -1.312095      8.461313      1.968855
  C      -2.689460      8.192320      2.521957
  C      -3.679846      9.182418      2.512734
  C      -4.977952      8.915671      2.961712
  C      -5.307788      7.647474      3.428917
  C      -4.324851      6.646645      3.471123
  C      -4.727264      5.293159      3.948311
  O      -5.861080      4.847384      3.828952
  N      -3.739441      4.518578      4.585092
  C      -2.681769      4.955796      5.245879
  C      -3.026630      6.923993      3.012136
  C      -9.652280     -1.386185      7.766273
  C      -8.970638     -2.296309      6.736429
  C      -9.062436     -1.744882      5.336542
  C     -10.108598     -2.122696      4.484201
  C     -10.232929     -1.573069      3.204802
  C      -9.315752     -0.624460      2.762431
  C      -8.260264     -0.232119      3.599804
  C      -7.339996      0.833254      3.101641
  O      -7.496019      1.406139      2.031287
  N      -6.208562      1.130719      3.882611
  C      -6.253067      1.915865      4.888847
  C      -8.136640     -0.802732      4.874611
  H      -4.255629     -5.611313      6.829715
  H      -3.445483     -4.111914      7.331000
  H      -4.415838     -5.034028      8.507487
  H      -6.503821     -4.521976      7.218633
  H      -5.697125     -3.025841      7.706554
  H      -6.589110     -5.196543      4.847219
  H      -6.408437     -4.508811      2.465977
  H      -5.222247     -2.387803      1.863663
  H      -2.082320     -1.160973      5.444189
  H      -4.556030     -1.615294      6.055489
  H      -0.125516      8.116755      0.170942
  H      -1.281719      6.813333      0.532238
  H      -1.863719      8.350408     -0.140357
  H      -0.553819      8.015583      2.631963
  H      -1.132363      9.546373      1.965131
  H      -3.431603     10.179565      2.140417
  H      -5.732937      9.702898      2.940234
  H      -6.317552      7.411584      3.766270
  H      -2.498733      6.004001      5.526541
  H      -2.274229      6.131885      2.990318
  H     -10.719512     -1.262791      7.537226
  H      -9.186710     -0.388858      7.766071
  H      -9.566886     -1.801024      8.781304
  H      -9.433855     -3.295012      6.765267
  H      -7.917534     -2.423972      7.011673
  H     -10.835870     -2.861130      4.831379
  H     -11.054912     -1.882040      2.557792
  H      -9.396351     -0.167013      1.776060
  H      -7.192137      2.343343      5.275148
  H      -7.300641     -0.517596      5.514735
  N      -3.023776      2.274515      3.211440
  H      -3.198597      1.836744      2.295405
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5658575-UqKm/orca E -6148.999661034593
  N      -1.840765      0.956720      5.769571
  Mo     -3.201238      2.381130      4.926770
  N      -5.099895      2.275265      5.574778
  C      -5.348316      3.053927      6.803583
  C      -4.541977      2.471731      7.960598
  N      -3.104578      2.462141      7.618795
  C      -2.375978      1.264075      8.084089
  C      -1.257656      0.904775      7.096686
  C      -2.405915      3.714559      7.990954
  C      -1.308404      4.075069      6.973551
  N      -1.906873      3.948319      5.650114
  H      -0.396708      1.577685      7.166116
  H      -0.889615     -0.113297      7.306633
  H      -1.985225      1.397432      9.107853
  H      -3.088418      0.428792      8.098226
  H      -0.988214      5.118849      7.131049
  H      -0.419631      3.443079      7.054696
  H      -3.148327      4.525717      7.974092
  H      -2.001660      3.650058      9.015778
  H      -6.422680      3.021503      7.039823
  H      -5.085255      4.111387      6.641871
  H      -4.865042      1.436114      8.130741
  H      -4.746886      3.039957      8.883945
  C      -4.397234     -4.747029      7.417724
  C      -5.626554     -3.910793      7.033310
  C      -5.572262     -3.453961      5.596616
  C      -6.138971     -4.217362      4.566117
  C      -6.031172     -3.822127      3.228071
  C      -5.334468     -2.666574      2.893322
  C      -4.763071     -1.884194      3.911263
  C      -4.008398     -0.671758      3.520313
  O      -3.810084     -0.339117      2.358534
  N      -3.489467      0.133672      4.575964
  C      -2.423248     -0.147093      5.282576
  C      -4.903473     -2.274575      5.252366
  C      -1.187867      7.895295      0.537040
  C      -1.354867      8.445164      1.960239
  C      -2.727680      8.170573      2.521050
  C      -3.725115      9.154178      2.509673
  C      -5.020190      8.881154      2.963529
  C      -5.340188      7.613299      3.438258
  C      -4.349992      6.619608      3.483336
  C      -4.740431      5.265855      3.967551
  O      -5.871303      4.811018      3.854769
  N      -3.742528      4.501113      4.601353
  C      -2.695193      4.952423      5.268921
  C      -3.054561      6.902956      3.019700
  C      -9.611692     -1.250663      7.771465
  C      -8.977188     -2.219716      6.764991
  C      -9.049391     -1.702642      5.350688
  C     -10.096354     -2.083440      4.501274
  C     -10.201297     -1.566521      3.206349
  C      -9.263829     -0.647073      2.745776
  C      -8.207696     -0.250104      3.580571
  C      -7.265848      0.785005      3.058133
  O      -7.396352      1.315400      1.962715
  N      -6.145260      1.107630      3.844874
  C      -6.217920      1.865667      4.870727
  C      -8.103664     -0.789249      4.870964
  H      -4.320379     -5.638546      6.778872
  H      -3.472483     -4.164486      7.292542
  H      -4.456928     -5.077658      8.464414
  H      -6.539911     -4.503448      7.194127
  H      -5.696899     -3.031624      7.694706
  H      -6.680270     -5.132201      4.819182
  H      -6.491668     -4.425319      2.443740
  H      -5.230898     -2.343225      1.855114
  H      -2.017008     -1.156747      5.457376
  H      -4.506906     -1.642655      6.050451
  H      -0.180620      8.109001      0.152224
  H      -1.337315      6.806369      0.513620
  H      -1.920313      8.348375     -0.145719
  H      -0.591052      7.997103      2.614904
  H      -1.177295      9.530535      1.960726
  H      -3.484615     10.151040      2.131469
  H      -5.780592      9.663227      2.939757
  H      -6.347339      7.372311      3.779834
  H      -2.530822      6.002997      5.552391
  H      -2.296701      6.115709      3.000918
  H     -10.672233     -1.081255      7.541331
  H      -9.098566     -0.277448      7.744559
  H      -9.543329     -1.642844      8.796971
  H      -9.487505     -3.193669      6.821758
  H      -7.931865     -2.389565      7.043475
  H     -10.839343     -2.798804      4.863165
  H     -11.024064     -1.877717      2.561743
  H      -9.328230     -0.215239      1.746801
  H      -7.170206      2.259500      5.260864
  H      -7.265972     -0.505634      5.509263
  N      -2.983997      2.270518      3.229539
  H      -3.136190      1.843393      2.304853
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5658575-UqKm/orca E -6148.999871813934
  N      -1.801585      0.962777      5.783024
  Mo     -3.175743      2.371674      4.943702
  N      -5.079054      2.237022      5.573743
  C      -5.349680      3.004437      6.804487
  C      -4.539284      2.429475      7.962097
  N      -3.100130      2.446153      7.625742
  C      -2.353444      1.259909      8.094754
  C      -1.224692      0.918911      7.113035
  C      -2.426634      3.709905      8.008150
  C      -1.323575      4.089518      7.004509
  N      -1.906148      3.955604      5.674211
  H      -0.374806      1.605001      7.187445
  H      -0.841688     -0.093249      7.324818
  H      -1.970941      1.399929      9.120470
  H      -3.051598      0.412844      8.105110
  H      -1.021440      5.137704      7.167824
  H      -0.426361      3.471156      7.094277
  H      -3.182030      4.508511      7.982720
  H      -2.034136      3.650349      9.037601
  H      -6.424608      2.951881      7.033585
  H      -5.104337      4.067215      6.650035
  H      -4.845418      1.387560      8.124307
  H      -4.756992      2.987953      8.888337
  C      -4.439892     -4.777906      7.382258
  C      -5.651371     -3.909633      7.013309
  C      -5.592890     -3.437582      5.581862
  C      -6.195533     -4.167159      4.547196
  C      -6.082966     -3.760871      3.212759
  C      -5.346226     -2.628195      2.885881
  C      -4.740742     -1.878143      3.908670
  C      -3.947506     -0.687774      3.526959
  O      -3.710985     -0.370329      2.368440
  N      -3.440052      0.117367      4.589226
  C      -2.369723     -0.148498      5.293695
  C      -4.885236     -2.278628      5.246074
  C      -1.244232      7.884509      0.521991
  C      -1.400066      8.427544      1.949095
  C      -2.767732      8.147651      2.519204
  C      -3.771587      9.125220      2.508232
  C      -5.062916      8.846307      2.969079
  C      -5.373086      7.578714      3.450732
  C      -4.376112      6.591597      3.496037
  C      -4.754401      5.237656      3.987669
  O      -5.882444      4.773984      3.883005
  N      -3.745963      4.482806      4.617644
  C      -2.708531      4.948088      5.290780
  C      -3.084222      6.880666      3.025741
  C      -9.568746     -1.121953      7.770199
  C      -8.984029     -2.144704      6.786600
  C      -9.037154     -1.659600      5.360048
  C     -10.085320     -2.040739      4.512851
  C     -10.171163     -1.554130      3.204631
  C      -9.213236     -0.664334      2.728713
  C      -8.155896     -0.265393      3.561564
  C      -7.191288      0.737989      3.017702
  O      -7.295587      1.225101      1.899443
  N      -6.082103      1.085370      3.809883
  C      -6.181809      1.816364      4.853747
  C      -8.071192     -0.775559      4.865298
  H      -4.386399     -5.663249      6.732680
  H      -3.502743     -4.215200      7.259321
  H      -4.502516     -5.119291      8.425266
  H      -6.577173     -4.483321      7.171475
  H      -5.698829     -3.036956      7.685239
  H      -6.768998     -5.063871      4.794105
  H      -6.571832     -4.337093      2.425133
  H      -5.238032     -2.296146      1.850347
  H      -1.949500     -1.152023      5.470977
  H      -4.457470     -1.672206      6.048066
  H      -0.239691      8.098782      0.130404
  H      -1.395094      6.795815      0.494844
  H      -1.981569      8.341387     -0.152757
  H      -0.630087      7.978180      2.595275
  H      -1.224862      9.513292      1.952384
  H      -3.538906     10.121841      2.124697
  H      -5.828196      9.623686      2.945327
  H      -6.377130      7.333144      3.798189
  H      -2.562284      6.000706      5.576784
  H      -2.321370      6.098029      3.008265
  H     -10.620061     -0.905645      7.537211
  H      -9.008797     -0.175887      7.720212
  H      -9.517525     -1.493176      8.804600
  H      -9.540581     -3.090936      6.868110
  H      -7.948504     -2.357375      7.069467
  H     -10.844198     -2.732681      4.887061
  H     -10.995095     -1.865437      2.561775
  H      -9.261744     -0.256556      1.718813
  H      -7.146136      2.177789      5.246129
  H      -7.231424     -0.495975      5.502435
  N      -2.946134      2.265614      3.248058
  H      -3.076437      1.849718      2.315305
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5658575-UqKm/orca E -6149.000062097824
  N      -1.761478      0.968872      5.795557
  Mo     -3.150634      2.361419      4.960408
  N      -5.058129      2.200812      5.573078
  C      -5.349857      2.956417      6.805705
  C      -4.534144      2.388972      7.963213
  N      -3.094041      2.430991      7.630672
  C      -2.329513      1.257033      8.104290
  C      -1.190793      0.933491      7.128411
  C      -2.444550      3.705219      8.022358
  C      -1.336768      4.102567      7.031745
  N      -1.904214      3.961831      5.695249
  H      -0.351512      1.631671      7.207870
  H      -0.793942     -0.072786      7.342685
  H      -1.955224      1.404656      9.131708
  H      -3.013311      0.398511      8.112036
  H      -1.051949      5.154661      7.200455
  H      -0.431745      3.497470      7.129929
  H      -3.211785      4.491941      7.989471
  H      -2.062970      3.649609      9.055921
  H      -6.424655      2.883367      7.028760
  H      -5.123352      4.024323      6.658443
  H      -4.823056      1.341236      8.118349
  H      -4.762540      2.938157      8.892251
  C      -4.485427     -4.809143      7.350844
  C      -5.677508     -3.909083      6.995914
  C      -5.612561     -3.421635      5.570151
  C      -6.248950     -4.116254      4.531542
  C      -6.130329     -3.699072      3.201150
  C      -5.354766     -2.590272      2.882285
  C      -4.717661     -1.873274      3.909586
  C      -3.887932     -0.705274      3.536509
  O      -3.616720     -0.403522      2.381960
  N      -3.390559      0.100232      4.604016
  C      -2.315176     -0.149948      5.304804
  C      -4.866878     -2.284213      5.243007
  C      -1.299965      7.875251      0.508046
  C      -1.445890      8.411288      1.938806
  C      -2.808515      8.125323      2.517336
  C      -3.819291      9.096312      2.506979
  C      -5.106720      8.810595      2.974451
  C      -5.406511      7.543101      3.462611
  C      -4.402199      6.563015      3.507779
  C      -4.767868      5.209035      4.007057
  O      -5.893015      4.736556      3.911622
  N      -3.748534      4.464077      4.632460
  C      -2.720274      4.942677      5.309834
  C      -3.114067      6.858703      3.031109
  C      -9.527069     -1.002545      7.765081
  C      -8.991447     -2.071957      6.803147
  C      -9.027163     -1.616139      5.366182
  C     -10.076011     -1.996589      4.520297
  C     -10.143450     -1.537713      3.200763
  C      -9.166441     -0.676207      2.712402
  C      -8.108036     -0.276535      3.544091
  C      -7.119793      0.693725      2.981405
  O      -7.197188      1.135536      1.841995
  N      -6.021902      1.066075      3.777675
  C      -6.146120      1.770616      4.837898
  C      -8.042113     -0.760353      4.859127
  H      -4.454013     -5.687850      6.690986
  H      -3.536018     -4.266745      7.231421
  H      -4.552917     -5.161146      8.389929
  H      -6.615708     -4.463278      7.150447
  H      -5.702652     -3.043713      7.678441
  H      -6.853892     -4.993844      4.772046
  H      -6.645831     -4.247393      2.410499
  H      -5.241520     -2.249223      1.849796
  H      -1.880397     -1.147045      5.483279
  H      -4.408543     -1.704928      6.048323
  H      -0.298312      8.091175      0.110101
  H      -1.451017      6.786731      0.477189
  H      -2.042336      8.334976     -0.158841
  H      -0.670056      7.961070      2.576960
  H      -1.273596      9.497464      1.944961
  H      -3.594956     10.092879      2.118511
  H      -5.877351      9.582808      2.950875
  H      -6.407316      7.292584      3.815867
  H      -2.590767      5.997025      5.597786
  H      -2.345684      6.081278      3.014792
  H     -10.567522     -0.742136      7.528669
  H      -8.924588     -0.084538      7.694756
  H      -9.491223     -1.354388      8.807113
  H      -9.590259     -2.989488      6.906370
  H      -7.966895     -2.324999      7.090985
  H     -10.849723     -2.666340      4.904267
  H     -10.968026     -1.848418      2.558748
  H      -9.199636     -0.291162      1.693022
  H      -7.120893      2.101874      5.231714
  H      -7.200037     -0.487151      5.495856
  N      -2.910412      2.259189      3.266111
  H      -3.019272      1.854904      2.325935
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5658575-UqKm/orca E -6149.000252846844
  N      -1.720829      0.974665      5.805072
  Mo     -3.127619      2.350007      4.975821
  N      -5.039321      2.171380      5.571647
  C      -5.350341      2.914581      6.806091
  C      -4.527156      2.354260      7.961910
  N      -3.087178      2.418553      7.629006
  C      -2.305974      1.257156      8.109765
  C      -1.157189      0.948678      7.141123
  C      -2.458214      3.701734      8.028735
  C      -1.345537      4.112718      7.050587
  N      -1.898710      3.965855      5.708586
  H      -0.327153      1.656480      7.226707
  H      -0.749282     -0.052206      7.359687
  H      -1.940793      1.414344      9.138748
  H      -2.975841      0.387927      8.116407
  H      -1.075678      5.167836      7.224321
  H      -0.434167      3.519487      7.157666
  H      -3.234681      4.478868      7.989927
  H      -2.086644      3.648105      9.065904
  H      -6.424085      2.820831      7.025073
  H      -5.144136      3.987473      6.666517
  H      -4.799405      1.301537      8.111406
  H      -4.761123      2.895379      8.893995
  C      -4.530368     -4.847529      7.329042
  C      -5.700447     -3.915040      6.985159
  C      -5.625327     -3.413085      5.565404
  C      -6.288555     -4.076168      4.523086
  C      -6.161766     -3.650087      3.196972
  C      -5.352756     -2.563117      2.886024
  C      -4.691617     -1.874889      3.917260
  C      -3.832332     -0.725866      3.550502
  O      -3.532787     -0.439444      2.399882
  N      -3.342814      0.081406      4.620990
  C      -2.260410     -0.151826      5.314825
  C      -4.846372     -2.295657      5.246732
  C      -1.350200      7.871721      0.499277
  C      -1.491149      8.401079      1.932917
  C      -2.849538      8.106975      2.516383
  C      -3.868635      9.069756      2.505585
  C      -5.152197      8.774781      2.977496
  C      -5.440562      7.507162      3.471433
  C      -4.427394      6.535527      3.517209
  C      -4.779740      5.181979      4.024735
  O      -5.902327      4.701286      3.941436
  N      -3.748636      4.446097      4.643240
  C      -2.727258      4.935898      5.322039
  C      -3.143150      6.840169      3.036114
  C      -9.489387     -0.899921      7.757807
  C      -9.002613     -2.005759      6.810691
  C      -9.025138     -1.570768      5.366651
  C     -10.076973     -1.943816      4.522069
  C     -10.128424     -1.504770      3.194713
  C      -9.132790     -0.670768      2.697497
  C      -8.070555     -0.277047      3.527986
  C      -7.055806      0.656466      2.949970
  O      -7.103890      1.049678      1.790423
  N      -5.969320      1.052896      3.748687
  C      -6.113907      1.734791      4.822138
  C      -8.021440     -0.742214      4.850729
  H      -4.519990     -5.719967      6.660190
  H      -3.568071     -4.327209      7.214790
  H      -4.605834     -5.208967      8.364167
  H      -6.651400     -4.448740      7.134582
  H      -5.703781     -3.057474      7.678042
  H      -6.921345     -4.935740      4.757078
  H      -6.698758     -4.172998      2.403530
  H      -5.233431     -2.214065      1.856839
  H      -1.810234     -1.142367      5.491329
  H      -4.361991     -1.741591      6.054030
  H      -0.351567      8.092382      0.096796
  H      -1.497509      6.783023      0.465326
  H      -2.097770      8.330950     -0.161314
  H      -0.710672      7.951874      2.565449
  H      -1.323726      9.487872      1.941458
  H      -3.653669     10.066629      2.113110
  H      -5.929437      9.540397      2.953186
  H      -6.438085      7.250632      3.829371
  H      -2.610741      5.991543      5.611261
  H      -2.367744      6.069640      3.021768
  H     -10.518634     -0.598186      7.521307
  H      -8.850301     -0.008915      7.671660
  H      -9.464561     -1.238361      8.804941
  H      -9.639437     -2.894786      6.930658
  H      -7.989393     -2.297519      7.100994
  H     -10.865166     -2.592585      4.912333
  H     -10.955080     -1.810062      2.553097
  H      -9.152549     -0.303892      1.671123
  H      -7.096850      2.042814      5.215379
  H      -7.174733     -0.482860      5.487038
  N      -2.879127      2.249322      3.282533
  H      -2.966359      1.856662      2.335545
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5658575-UqKm/orca E -6149.000458875641
  N      -1.685559      0.978511      5.808780
  Mo     -3.111344      2.336993      4.987118
  N      -5.028614      2.150603      5.564262
  C      -5.358467      2.878304      6.801611
  C      -4.526374      2.323501      7.954063
  N      -3.086891      2.406292      7.618307
  C      -2.291606      1.256544      8.108305
  C      -1.131608      0.960499      7.148974
  C      -2.473301      3.696115      8.025963
  C      -1.353850      4.115861      7.060640
  N      -1.892481      3.965811      5.713059
  H      -0.307943      1.673820      7.244368
  H      -0.717810     -0.036953      7.372777
  H      -1.936951      1.424662      9.139289
  H      -2.949204      0.377763      8.114724
  H      -1.095191      5.172721      7.240473
  H      -0.438119      3.532147      7.177713
  H      -3.255749      4.467024      7.983690
  H      -2.110844      3.641077      9.066572
  H      -6.430292      2.761635      7.017909
  H      -5.175881      3.956831      6.672778
  H      -4.783024      1.266366      8.098051
  H      -4.760913      2.857302      8.889970
  C      -4.573527     -4.888282      7.317004
  C      -5.718380     -3.921927      6.981798
  C      -5.631858     -3.409738      5.566971
  C      -6.312477     -4.050535      4.522396
  C      -6.177872     -3.619963      3.199447
  C      -5.345153     -2.549651      2.893900
  C      -4.668655     -1.881607      3.927488
  C      -3.785345     -0.748914      3.563418
  O      -3.464413     -0.475978      2.416227
  N      -3.302468      0.060787      4.635899
  C      -2.210845     -0.155019      5.318866
  C      -4.828665     -2.308683      5.253982
  C      -1.387603      7.880850      0.499077
  C      -1.529386      8.401096      1.935937
  C      -2.885144      8.097191      2.519110
  C      -3.912802      9.051122      2.507917
  C      -5.192890      8.744759      2.980961
  C      -5.470500      7.476287      3.477617
  C      -4.448119      6.513398      3.523420
  C      -4.788760      5.160171      4.036521
  O      -5.909348      4.673484      3.966004
  N      -3.747271      4.430700      4.647263
  C      -2.729885      4.927489      5.325218
  C      -3.167541      6.829054      3.041020
  C      -9.450198     -0.808872      7.753420
  C      -9.006435     -1.942928      6.817774
  C      -9.022660     -1.525785      5.368256
  C     -10.080835     -1.889257      4.527842
  C     -10.121231     -1.466733      3.194488
  C      -9.109378     -0.659582      2.687360
  C      -8.039549     -0.274124      3.513552
  C      -7.000061      0.621224      2.920091
  O      -7.019848      0.958473      1.740586
  N      -5.925525      1.044748      3.717566
  C      -6.089351      1.710429      4.799940
  C      -8.002365     -0.723889      4.841995
  H      -4.586159     -5.756680      6.642696
  H      -3.596989     -4.393885      7.205915
  H      -4.658101     -5.255043      8.349493
  H      -6.682909     -4.432248      7.127622
  H      -5.697787     -3.071560      7.683313
  H      -6.965199     -4.895953      4.751778
  H      -6.728628     -4.124653      2.404542
  H      -5.219145     -2.195842      1.867140
  H      -1.743861     -1.139144      5.486986
  H      -4.324078     -1.773677      6.060380
  H      -0.392020      8.110353      0.094898
  H      -1.526891      6.791703      0.460234
  H      -2.140349      8.337341     -0.156310
  H      -0.746621      7.952502      2.565208
  H      -1.367393      9.488435      1.948766
  H      -3.707083     10.049135      2.114268
  H      -5.977182      9.503118      2.955950
  H      -6.465311      7.213417      3.837854
  H      -2.619785      5.983874      5.614889
  H      -2.384408      6.066513      3.028398
  H     -10.470490     -0.474978      7.520128
  H      -8.785020      0.060450      7.651854
  H      -9.429827     -1.135962      8.804306
  H      -9.673529     -2.806681      6.953837
  H      -8.002302     -2.266621      7.107794
  H     -10.881928     -2.518301      4.924023
  H     -10.952082     -1.765355      2.554869
  H      -9.120817     -0.309683      1.655040
  H      -7.078675      2.003401      5.188568
  H      -7.148710     -0.481662      5.475824
  N      -2.859199      2.234539      3.294325
  H      -2.924743      1.852925      2.341092
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5658575-UqKm/orca E -6149.000611151399
  N      -1.673380      0.978872      5.808104
  Mo     -3.109510      2.328547      4.991197
  N      -5.031311      2.145702      5.555873
  C      -5.370833      2.860974      6.796707
  C      -4.533651      2.307646      7.946376
  N      -3.093957      2.398835      7.609666
  C      -2.291929      1.254899      8.105127
  C      -1.125701      0.963563      7.150793
  C      -2.486573      3.691278      8.021507
  C      -1.362094      4.113086      7.063086
  N      -1.891859      3.963162      5.712123
  H      -0.302934      1.676871      7.253117
  H      -0.712592     -0.033828      7.377033
  H      -1.942323      1.430469      9.136892
  H      -2.944179      0.371709      8.113566
  H      -1.107330      5.170342      7.246610
  H      -0.444850      3.532964      7.186563
  H      -3.271544      4.460199      7.978453
  H      -2.128784      3.634109      9.064299
  H      -6.441283      2.729285      7.012434
  H      -5.204209      3.943207      6.676589
  H      -4.782129      1.248120      8.086448
  H      -4.767166      2.837473      8.884898
  C      -4.601333     -4.920778      7.310800
  C      -5.728187     -3.930703      6.983093
  C      -5.636639     -3.413216      5.570586
  C      -6.324166     -4.045343      4.525057
  C      -6.188271     -3.612282      3.203262
  C      -5.347486     -2.547763      2.899770
  C      -4.663982     -1.888348      3.934330
  C      -3.770679     -0.763227      3.570466
  O      -3.438560     -0.497633      2.424980
  N      -3.289810      0.047411      4.644081
  C      -2.189917     -0.158098      5.316916
  C      -4.824901     -2.318548      5.259767
  C      -1.395028      7.907490      0.503613
  C      -1.542062      8.412226      1.945677
  C      -2.898575      8.099725      2.521798
  C      -3.931751      9.047269      2.507744
  C      -5.210871      8.732140      2.976523
  C      -5.482857      7.462208      3.471870
  C      -4.454758      6.505121      3.519550
  C      -4.790862      5.151176      4.033375
  O      -5.909737      4.660696      3.964934
  N      -3.746542      4.424224      4.643925
  C      -2.729940      4.922423      5.320879
  C      -3.175369      6.829597      3.041195
  C      -9.421009     -0.757566      7.754672
  C      -8.990911     -1.904924      6.828660
  C      -9.009339     -1.502604      5.375560
  C     -10.072230     -1.866280      4.540719
  C     -10.111496     -1.454957      3.203819
  C      -9.095059     -0.660040      2.687632
  C      -8.019825     -0.274355      3.507840
  C      -6.971904      0.602845      2.902717
  O      -6.980654      0.903819      1.712016
  N      -5.906138      1.046872      3.696448
  C      -6.082910      1.703691      4.783439
  C      -7.983688     -0.713712      4.839391
  H      -4.632281     -5.787005      6.634159
  H      -3.615178     -4.445919      7.198960
  H      -4.690081     -5.289427      8.342414
  H      -6.701684     -4.423691      7.128920
  H      -5.688886     -3.085365      7.689827
  H      -6.983530     -4.885869      4.752711
  H      -6.745058     -4.109325      2.407980
  H      -5.220324     -2.191160      1.874181
  H      -1.711236     -1.138509      5.473055
  H      -4.310906     -1.790987      6.064552
  H      -0.400771      8.147829      0.102854
  H      -1.526819      6.817872      0.453562
  H      -2.150390      8.365366     -0.147745
  H      -0.760698      7.958297      2.572811
  H      -1.381833      9.499646      1.969761
  H      -3.730964     10.046667      2.115882
  H      -5.999753      9.485451      2.950100
  H      -6.477114      7.194647      3.829512
  H      -2.618705      5.979009      5.609727
  H      -2.386812      6.073067      3.030849
  H     -10.440387     -0.418461      7.523206
  H      -8.751577      0.106977      7.640575
  H      -9.397781     -1.074180      8.808129
  H      -9.665674     -2.760646      6.977253
  H      -7.987207     -2.235862      7.117592
  H     -10.877545     -2.486558      4.942113
  H     -10.945415     -1.754026      2.567410
  H      -9.107475     -0.321111      1.651662
  H      -7.075867      1.988532      5.168138
  H      -7.125749     -0.476663      5.469479
  N      -2.858651      2.222023      3.298783
  H      -2.911664      1.846341      2.342417
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5658575-UqKm/orca E -6149.000737343753
  N      -1.674133      0.976226      5.804160
  Mo     -3.116249      2.321784      4.990082
  N      -5.042245      2.149294      5.544570
  C      -5.385109      2.855176      6.789013
  C      -4.546716      2.300308      7.936934
  N      -3.105869      2.392596      7.600663
  C      -2.303086      1.249738      8.099630
  C      -1.132263      0.959194      7.149146
  C      -2.499199      3.685167      8.015167
  C      -1.370623      4.105622      7.060931
  N      -1.893980      3.957995      5.707445
  H      -0.307416      1.669806      7.257355
  H      -0.723759     -0.040322      7.375483
  H      -1.956841      1.429036      9.132323
  H      -2.954925      0.365537      8.108783
  H      -1.115412      5.162580      7.246584
  H      -0.453920      3.525165      7.188526
  H      -3.284523      4.454172      7.971438
  H      -2.145055      3.626160      9.059406
  H      -6.454983      2.714607      7.004981
  H      -5.227460      3.939706      6.675157
  H      -4.793271      1.239896      8.074496
  H      -4.778884      2.828697      8.876868
  C      -4.614858     -4.943072      7.311975
  C      -5.727759     -3.935156      6.990551
  C      -5.636381     -3.419217      5.577328
  C      -6.322997     -4.054729      4.533024
  C      -6.189079     -3.623622      3.210408
  C      -5.350815     -2.557594      2.904685
  C      -4.667377     -1.895987      3.937895
  C      -3.772300     -0.773610      3.572502
  O      -3.438195     -0.508709      2.427461
  N      -3.292707      0.037255      4.647516
  C      -2.185192     -0.162045      5.310374
  C      -4.826866     -2.324065      5.264259
  C      -1.379474      7.950557      0.513665
  C      -1.536810      8.434226      1.961996
  C      -2.896483      8.111323      2.525413
  C      -3.934634      9.052461      2.504765
  C      -5.214854      8.728658      2.963970
  C      -5.482974      7.456313      3.455384
  C      -4.450261      6.504604      3.508141
  C      -4.786145      5.148535      4.018224
  O      -5.903004      4.655680      3.943025
  N      -3.744956      4.422154      4.634865
  C      -2.727998      4.918659      5.311810
  C      -3.170006      6.838223      3.039157
  C      -9.401696     -0.739767      7.762945
  C      -8.966529     -1.887452      6.840085
  C      -8.995848     -1.492520      5.385877
  C     -10.064660     -1.858400      4.558949
  C     -10.111213     -1.451054      3.221240
  C      -9.096460     -0.660273      2.696105
  C      -8.015084     -0.273401      3.507871
  C      -6.966068      0.595637      2.891269
  O      -6.973526      0.872461      1.694423
  N      -5.905050      1.053716      3.680216
  C      -6.088542      1.707699      4.768167
  C      -7.971964     -0.708045      4.840088
  H      -4.663767     -5.809703      6.636951
  H      -3.621654     -4.484615      7.193769
  H      -4.703119     -5.308915      8.344762
  H      -6.708031     -4.412909      7.141642
  H      -5.670652     -3.091423      7.697655
  H      -6.979712     -4.896873      4.762490
  H      -6.745518     -4.122845      2.416595
  H      -5.225862     -2.201780      1.878516
  H      -1.697347     -1.140245      5.450973
  H      -4.311369     -1.793953      6.066520
  H      -0.385424      8.205091      0.121086
  H      -1.502331      6.860593      0.447298
  H      -2.135569      8.411972     -0.135121
  H      -0.758923      7.971849      2.587983
  H      -1.377725      9.521509      2.003209
  H      -3.736968     10.053615      2.115917
  H      -6.007984      9.477131      2.933971
  H      -6.478321      7.183092      3.805361
  H      -2.612283      5.974933      5.599893
  H      -2.376654      6.087384      3.031965
  H     -10.426325     -0.413351      7.535603
  H      -8.742871      0.132282      7.639543
  H      -9.368408     -1.049942      8.817445
  H      -9.632348     -2.748933      6.997376
  H      -7.956580     -2.209020      7.123234
  H     -10.868848     -2.476486      4.965677
  H     -10.949337     -1.751635      2.590159
  H      -9.116087     -0.326149      1.658770
  H      -7.083147      1.990102      5.149160
  H      -7.109487     -0.471431      5.464292
  N      -2.870721      2.209766      3.297748
  H      -2.917524      1.836310      2.340189
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5658575-UqKm/orca E -6149.000820718312
  N      -1.674028      0.976583      5.803627
  Mo     -3.120851      2.317622      4.990875
  N      -5.048926      2.149388      5.540238
  C      -5.392565      2.849938      6.787076
  C      -4.553182      2.295535      7.934042
  N      -3.111613      2.388840      7.597887
  C      -2.307931      1.246877      8.098622
  C      -1.134711      0.957852      7.149741
  C      -2.507176      3.682304      8.013331
  C      -1.377467      4.103576      7.060813
  N      -1.897857      3.956715      5.706380
  H      -0.309669      1.668499      7.259717
  H      -0.727282     -0.042366      7.374922
  H      -1.962848      1.428067      9.131525
  H      -2.959324      0.362096      8.108290
  H      -1.122763      5.160805      7.246528
  H      -0.460679      3.522902      7.189559
  H      -3.294267      4.449734      7.967288
  H      -2.155871      3.624453      9.058608
  H      -6.461888      2.703472      7.004129
  H      -5.239916      3.935556      6.675022
  H      -4.798847      1.234781      8.071428
  H      -4.785933      2.823953      8.873916
  C      -4.631339     -4.962239      7.311085
  C      -5.730048     -3.936643      6.996124
  C      -5.638549     -3.421976      5.582114
  C      -6.326279     -4.057711      4.538082
  C      -6.193647     -3.626972      3.214998
  C      -5.354734     -2.561413      2.908141
  C      -4.669674     -1.900170      3.940883
  C      -3.773625     -0.779739      3.576598
  O      -3.434328     -0.515837      2.432380
  N      -3.294683      0.030646      4.653515
  C      -2.180534     -0.163207      5.307619
  C      -4.828328     -2.327290      5.268075
  C      -1.369870      7.986727      0.516531
  C      -1.531687      8.448170      1.971767
  C      -2.893616      8.117449      2.526057
  C      -3.934920      9.054254      2.499257
  C      -5.216489      8.725044      2.950647
  C      -5.482066      7.450677      3.439121
  C      -4.446771      6.502653      3.497021
  C      -4.782873      5.144242      4.003672
  O      -5.897688      4.648244      3.918799
  N      -3.745751      4.420106      4.629426
  C      -2.729597      4.917679      5.306929
  C      -3.165219      6.842192      3.035956
  C      -9.388313     -0.735634      7.768732
  C      -8.946732     -1.880820      6.846147
  C      -8.984562     -1.488544      5.391895
  C     -10.058247     -1.853693      4.570316
  C     -10.110446     -1.446728      3.232925
  C      -9.096325     -0.658489      2.702490
  C      -8.010465     -0.273225      3.508689
  C      -6.960944      0.592335      2.884361
  O      -6.969015      0.856834      1.685040
  N      -5.903208      1.058264      3.671848
  C      -6.091507      1.707136      4.762084
  C      -7.961898     -0.706737      4.840689
  H      -4.698475     -5.827948      6.636533
  H      -3.631985     -4.519502      7.186786
  H      -4.718991     -5.326322      8.344600
  H      -6.716832     -4.398827      7.152592
  H      -5.655447     -3.094049      7.702800
  H      -6.983095     -4.899933      4.768493
  H      -6.751869     -4.126029      2.421826
  H      -5.232376     -2.205475      1.881635
  H      -1.684062     -1.138869      5.435453
  H      -4.312595     -1.795764      6.069883
  H      -0.375831      8.251337      0.130598
  H      -1.489142      6.897395      0.432688
  H      -2.125628      8.456268     -0.127825
  H      -0.756351      7.974780      2.593571
  H      -1.371132      9.534661      2.031500
  H      -3.738892     10.056592      2.112230
  H      -6.012264      9.470388      2.917336
  H      -6.478520      7.173045      3.782393
  H      -2.613267      5.974064      5.594061
  H      -2.368871      6.094776      3.031708
  H     -10.417710     -0.421663      7.544481
  H      -8.738890      0.143388      7.639547
  H      -9.346387     -1.041538      8.823785
  H      -9.602737     -2.749547      7.007660
  H      -7.930773     -2.192736      7.123216
  H     -10.861853     -2.470135      4.980510
  H     -10.952476     -1.745985      2.605754
  H      -9.121139     -0.324980      1.665075
  H      -7.088192      1.983508      5.141810
  H      -7.096477     -0.470153      5.461041
  N      -2.880172      2.201023      3.299080
  H      -2.923579      1.828466      2.341004
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5658575-UqKm/orca E -6149.000884329972
  N      -1.669368      0.979909      5.803773
  Mo     -3.123305      2.314911      4.993143
  N      -5.052405      2.147140      5.539298
  C      -5.396361      2.846149      6.786922
  C      -4.555920      2.293198      7.933510
  N      -3.113927      2.386408      7.595517
  C      -2.310619      1.244050      8.097371
  C      -1.133700      0.958734      7.151813
  C      -2.511167      3.680709      8.011854
  C      -1.381335      4.103984      7.060724
  N      -1.900307      3.957675      5.705667
  H      -0.310569      1.671544      7.264307
  H      -0.725006     -0.041251      7.375328
  H      -1.969056      1.423949      9.131674
  H      -2.961564      0.358798      8.103123
  H      -1.127637      5.161507      7.246354
  H      -0.464483      3.523206      7.189041
  H      -3.299458      4.446511      7.962560
  H      -2.163096      3.624598      9.057808
  H      -6.465179      2.695795      7.005010
  H      -5.245835      3.932116      6.673600
  H      -4.802300      1.232686      8.072631
  H      -4.788713      2.822871      8.872685
  C      -4.637269     -4.976339      7.316078
  C      -5.721971     -3.934329      7.006688
  C      -5.631397     -3.424041      5.590839
  C      -6.316529     -4.064279      4.547793
  C      -6.183903     -3.636615      3.223721
  C      -5.347341     -2.569682      2.914433
  C      -4.664612     -1.904331      3.945886
  C      -3.769278     -0.784302      3.582384
  O      -3.428845     -0.519061      2.438628
  N      -3.291855      0.026262      4.660962
  C      -2.171745     -0.161757      5.306423
  C      -4.823559     -2.327908      5.274482
  C      -1.366697      8.007460      0.514570
  C      -1.528589      8.454288      1.974310
  C      -2.891213      8.118870      2.525099
  C      -3.934008      9.053554      2.494935
  C      -5.216452      8.722049      2.942353
  C      -5.480383      7.446416      3.429277
  C      -4.444188      6.500308      3.490314
  C      -4.780788      5.140346      3.994413
  O      -5.894027      4.642437      3.900344
  N      -3.747515      4.418436      4.627682
  C      -2.732290      4.918170      5.305291
  C      -3.161716      6.842398      3.033303
  C      -9.384602     -0.752123      7.772437
  C      -8.942535     -1.887618      6.838635
  C      -8.989117     -1.483624      5.387786
  C     -10.071608     -1.832775      4.570779
  C     -10.128860     -1.415237      3.237036
  C      -9.109863     -0.633748      2.705279
  C      -8.015821     -0.264910      3.507115
  C      -6.959315      0.592268      2.879203
  O      -6.963258      0.850043      1.679204
  N      -5.902783      1.057576      3.669371
  C      -6.092975      1.707025      4.758588
  C      -7.963366     -0.707093      4.835963
  H      -4.723572     -5.841780      6.643552
  H      -3.632480     -4.548972      7.183263
  H      -4.722985     -5.336922      8.350922
  H      -6.714800     -4.380450      7.171017
  H      -5.629438     -3.090934      7.710067
  H      -6.971039     -4.907954      4.780104
  H      -6.740113     -4.139584      2.431664
  H      -5.226140     -2.216315      1.886820
  H      -1.666498     -1.134408      5.422704
  H      -4.310937     -1.792258      6.076040
  H      -0.373243      8.278578      0.131369
  H      -1.484181      6.918716      0.419764
  H      -2.122811      8.482638     -0.126064
  H      -0.754010      7.973465      2.592065
  H      -1.366584      9.540036      2.046386
  H      -3.738763     10.056471      2.108358
  H      -6.013470      9.465890      2.907040
  H      -6.477431      7.165920      3.768757
  H      -2.617853      5.974709      5.592220
  H      -2.364350      6.096140      3.029874
  H     -10.417299     -0.444193      7.555636
  H      -8.740958      0.131828      7.644988
  H      -9.333664     -1.063928      8.825402
  H      -9.591191     -2.762786      6.996507
  H      -7.922106     -2.195701      7.104622
  H     -10.878101     -2.444694      4.981834
  H     -10.978053     -1.701255      2.613591
  H      -9.137497     -0.293120      1.670324
  H      -7.091152      1.983000      5.134837
  H      -7.092213     -0.481615      5.452619
  N      -2.889686      2.195349      3.301049
  H      -2.931383      1.823803      2.342756
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5658575-UqKm/orca E -6149.000926763850
  N      -1.658479      0.987108      5.808992
  Mo     -3.119649      2.312767      4.999037
  N      -5.049408      2.134643      5.541612
  C      -5.397981      2.832252      6.789207
  C      -4.555093      2.284232      7.936303
  N      -3.113334      2.383678      7.598350
  C      -2.306164      1.244236      8.101127
  C      -1.125333      0.966493      7.158606
  C      -2.517971      3.680962      8.016476
  C      -1.388714      4.111266      7.067963
  N      -1.905623      3.962798      5.712051
  H      -0.307604      1.685252      7.272604
  H      -0.710190     -0.030839      7.381228
  H      -1.968485      1.423743      9.136676
  H      -2.953043      0.356158      8.103028
  H      -1.140736      5.170005      7.253905
  H      -0.469521      3.534246      7.196234
  H      -3.310022      4.442314      7.963131
  H      -2.173631      3.627680      9.063519
  H      -6.465838      2.675368      7.006856
  H      -5.252362      3.918837      6.674099
  H      -4.797824      1.222960      8.076598
  H      -4.791404      2.813503      8.874715
  C      -4.659765     -4.990777      7.308802
  C      -5.728256     -3.930604      7.005113
  C      -5.633838     -3.419545      5.589641
  C      -6.321629     -4.053582      4.544543
  C      -6.184125     -3.624806      3.221281
  C      -5.339936     -2.563116      2.914549
  C      -4.655251     -1.903302      3.948032
  C      -3.752087     -0.788421      3.590074
  O      -3.400307     -0.526660      2.448784
  N      -3.279290      0.021953      4.671700
  C      -2.154618     -0.157811      5.310974
  C      -4.818839     -2.327663      5.276036
  C      -1.378819      8.016453      0.506242
  C      -1.533768      8.445763      1.971919
  C      -2.896017      8.108967      2.522907
  C      -3.939453      9.043117      2.491018
  C      -5.222497      8.711406      2.936718
  C      -5.485778      7.435442      3.423568
  C      -4.449293      6.490370      3.486971
  C      -4.784643      5.129567      3.990171
  O      -5.896060      4.628365      3.888390
  N      -3.753325      4.412964      4.631560
  C      -2.742021      4.919101      5.310812
  C      -3.165987      6.832597      3.031691
  C      -9.368168     -0.744832      7.774762
  C      -8.934577     -1.880584      6.837209
  C      -8.985672     -1.473712      5.386962
  C     -10.076117     -1.809846      4.574947
  C     -10.135469     -1.390008      3.242106
  C      -9.110046     -0.618992      2.706098
  C      -8.008859     -0.262731      3.503406
  C      -6.946444      0.585438      2.871137
  O      -6.946216      0.835952      1.669921
  N      -5.889805      1.052241      3.663081
  C      -6.085625      1.693289      4.756723
  C      -7.954719     -0.706802      4.831631
  H      -4.763708     -5.853026      6.634797
  H      -3.649024     -4.579251      7.172236
  H      -4.747282     -5.351881      8.343288
  H      -6.727645     -4.360345      7.172815
  H      -5.619608     -3.088971      7.708262
  H      -6.982157     -4.893134      4.774780
  H      -6.742487     -4.123191      2.427693
  H      -5.215135     -2.209428      1.887322
  H      -1.639510     -1.126083      5.421168
  H      -4.304612     -1.796680      6.079994
  H      -0.385407      8.288037      0.123280
  H      -1.501898      6.929560      0.398496
  H      -2.134165      8.503316     -0.126590
  H      -0.759321      7.953962      2.581212
  H      -1.366863      9.529864      2.057663
  H      -3.744300     10.046098      2.104330
  H      -6.019806      9.454881      2.899907
  H      -6.483096      7.153623      3.761471
  H      -2.635234      5.976423      5.597567
  H      -2.368499      6.086155      3.029435
  H     -10.401309     -0.434307      7.562862
  H      -8.721731      0.136791      7.644723
  H      -9.312242     -1.056753      8.827538
  H      -9.584158     -2.755011      6.995992
  H      -7.912394     -2.191688      7.095475
  H     -10.886988     -2.413515      4.989853
  H     -10.991209     -1.665202      2.622941
  H      -9.138180     -0.276803      1.671673
  H      -7.086644      1.958252      5.133398
  H      -7.078743     -0.490040      5.444647
  N      -2.888817      2.191498      3.307031
  H      -2.927681      1.820995      2.348344
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5658575-UqKm/orca E -6149.000957518764
  N      -1.647577      0.995891      5.813978
  Mo     -3.116459      2.314637      5.006389
  N      -5.045766      2.130375      5.549333
  C      -5.396744      2.831138      6.794929
  C      -4.550791      2.287074      7.941976
  N      -3.109961      2.387623      7.599690
  C      -2.301905      1.248885      8.103627
  C      -1.117327      0.976116      7.165455
  C      -2.516518      3.685919      8.018668
  C      -1.387732      4.119295      7.071264
  N      -1.904901      3.968916      5.715221
  H      -0.303964      1.698916      7.281667
  H      -0.697626     -0.018924      7.388545
  H      -1.969463      1.426129      9.140946
  H      -2.946604      0.359657      8.099731
  H      -1.143055      5.178668      7.257129
  H      -0.467250      3.544532      7.198934
  H      -3.309152      4.446228      7.963254
  H      -2.174143      3.633296      9.066031
  H      -6.463939      2.672089      7.013002
  H      -5.252582      3.917404      6.676123
  H      -4.792670      1.226100      8.085310
  H      -4.785726      2.817737      8.879735
  C      -4.660369     -5.009175      7.309135
  C      -5.719622     -3.938835      7.009589
  C      -5.622753     -3.425769      5.594977
  C      -6.306588     -4.059878      4.547346
  C      -6.165513     -3.629961      3.224934
  C      -5.322103     -2.566849      2.921334
  C      -4.642176     -1.905914      3.957106
  C      -3.740812     -0.788400      3.601970
  O      -3.384927     -0.528037      2.461610
  N      -3.269651      0.022667      4.684153
  C      -2.141116     -0.151399      5.317684
  C      -4.808865     -2.331694      5.284612
  C      -1.392979      8.006822      0.493030
  C      -1.539863      8.432445      1.960583
  C      -2.900670      8.098417      2.516218
  C      -3.943441      9.033711      2.483808
  C      -5.226096      8.704764      2.932472
  C      -5.489588      7.430397      3.423396
  C      -4.453890      6.484833      3.488108
  C      -4.788308      5.125547      3.995555
  O      -5.899716      4.623039      3.892842
  N      -3.756436      4.412098      4.638879
  C      -2.745742      4.922330      5.316455
  C      -3.170750      6.823949      3.029702
  C      -9.367504     -0.768133      7.772997
  C      -8.948068     -1.893912      6.817091
  C      -9.001675     -1.465040      5.372790
  C     -10.103274     -1.769224      4.563586
  C     -10.162964     -1.330879      3.236712
  C      -9.126049     -0.572754      2.703912
  C      -8.014361     -0.247051      3.499253
  C      -6.939793      0.588739      2.871749
  O      -6.930126      0.840959      1.671052
  N      -5.882944      1.046854      3.669714
  C      -6.080651      1.690336      4.761584
  C      -7.960648     -0.708999      4.821713
  H      -4.774070     -5.868681      6.633411
  H      -3.646685     -4.606422      7.170800
  H      -4.748986     -5.371930      8.342823
  H      -6.722204     -4.359900      7.179122
  H      -5.602405     -3.098488      7.712817
  H      -6.966987     -4.900268      4.774952
  H      -6.720712     -4.128802      2.429097
  H      -5.194342     -2.213417      1.894690
  H      -1.620039     -1.116918      5.424276
  H      -4.298266     -1.801166      6.091128
  H      -0.400037      8.274544      0.106598
  H      -1.521827      6.920953      0.383433
  H      -2.148101      8.498838     -0.135659
  H      -0.764542      7.936686      2.565263
  H      -1.369357      9.515782      2.048654
  H      -3.747874     10.035523      2.094132
  H      -6.022624      9.449014      2.894476
  H      -6.486297      7.149813      3.764010
  H      -2.644019      5.980163      5.603187
  H      -2.374296      6.076097      3.028433
  H     -10.398649     -0.445594      7.570194
  H      -8.713544      0.109302      7.653120
  H      -9.309376     -1.095860      8.821083
  H      -9.603512     -2.765705      6.965420
  H      -7.926677     -2.216375      7.064137
  H     -10.922384     -2.363008      4.976529
  H     -11.027699     -1.581079      2.620047
  H      -9.152420     -0.217403      1.673808
  H      -7.083070      1.955754      5.135351
  H      -7.077065     -0.516380      5.431960
  N      -2.889090      2.192162      3.314071
  H      -2.926538      1.822056      2.355448
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5658575-UqKm/orca E -6149.000979832234
  N      -1.637594      1.001219      5.819089
  Mo     -3.111411      2.314061      5.012108
  N      -5.041372      2.119098      5.550428
  C      -5.398810      2.818656      6.795303
  C      -4.551819      2.277370      7.943315
  N      -3.111090      2.384476      7.602995
  C      -2.299586      1.247916      8.106654
  C      -1.110791      0.982742      7.172159
  C      -2.523159      3.684586      8.025077
  C      -1.393673      4.124347      7.081242
  N      -1.907352      3.972509      5.723567
  H      -0.301929      1.709768      7.292281
  H      -0.686090     -0.010247      7.395374
  H      -1.972511      1.423392      9.145943
  H      -2.940292      0.355778      8.097241
  H      -1.155097      5.184646      7.269306
  H      -0.470575      3.554550      7.210554
  H      -3.317997      4.442310      7.969194
  H      -2.182936      3.631230      9.073090
  H      -6.465608      2.654844      7.010696
  H      -5.259160      3.905661      6.677075
  H      -4.789367      1.215167      8.084943
  H      -4.789791      2.805455      8.881777
  C      -4.667045     -5.013624      7.301137
  C      -5.718878     -3.935219      7.005394
  C      -5.619772     -3.420365      5.591811
  C      -6.304985     -4.050101      4.542839
  C      -6.159806     -3.619485      3.221169
  C      -5.311368     -2.559947      2.919844
  C      -4.630729     -1.903062      3.957420
  C      -3.720983     -0.790688      3.605796
  O      -3.357860     -0.533230      2.467392
  N      -3.256142      0.020746      4.690049
  C      -2.126628     -0.147899      5.322501
  C      -4.801283     -2.329587      5.283741
  C      -1.411420      7.996062      0.482159
  C      -1.548920      8.416909      1.951943
  C      -2.908007      8.085691      2.512997
  C      -3.950201      9.022108      2.482458
  C      -5.231966      8.695274      2.935142
  C      -5.495760      7.422242      3.428814
  C      -4.460457      6.476124      3.492313
  C      -4.793414      5.118062      4.002374
  O      -5.904450      4.614785      3.900866
  N      -3.760364      4.407744      4.646645
  C      -2.752333      4.922141      5.325120
  C      -3.177921      6.812903      3.029946
  C      -9.355553     -0.754118      7.772724
  C      -8.951201     -1.883010      6.813880
  C      -9.004840     -1.451553      5.369974
  C     -10.113033     -1.741090      4.564680
  C     -10.171741     -1.301487      3.238109
  C      -9.127194     -0.556113      2.701848
  C      -8.009150     -0.243771      3.493760
  C      -6.927028      0.580074      2.865334
  O      -6.910164      0.824830      1.663110
  N      -5.869323      1.037761      3.664620
  C      -6.072321      1.678225      4.757850
  C      -7.956697     -0.707242      4.815859
  H      -4.788438     -5.871233      6.624288
  H      -3.650351     -4.618271      7.161120
  H      -4.756538     -5.377558      8.334324
  H      -6.724400     -4.349181      7.176051
  H      -5.594733     -3.096773      7.709635
  H      -6.969231     -4.887596      4.768565
  H      -6.715170     -4.115142      2.424021
  H      -5.179001     -2.206770      1.893582
  H      -1.600816     -1.110842      5.429244
  H      -4.288113     -1.803900      6.091335
  H      -0.418864      8.259485      0.091399
  H      -1.546654      6.911134      0.369930
  H      -2.167366      8.493966     -0.140654
  H      -0.772086      7.916697      2.550557
  H      -1.374618      9.499418      2.042325
  H      -3.754482     10.023054      2.090997
  H      -6.027751      9.440358      2.897997
  H      -6.491743      7.143094      3.772844
  H      -2.656297      5.980491      5.611875
  H      -2.382320      6.064109      3.028355
  H     -10.383373     -0.418971      7.573534
  H      -8.691732      0.115667      7.653077
  H      -9.298697     -1.084896      8.820029
  H      -9.615738     -2.747598      6.962923
  H      -7.932033     -2.216559      7.056763
  H     -10.937896     -2.324932      4.980598
  H     -11.041634     -1.540575      2.624507
  H      -9.151914     -0.200705      1.671678
  H      -7.076438      1.938192      5.130558
  H      -7.068790     -0.526132      5.422985
  N      -2.883663      2.192292      3.319462
  H      -2.917756      1.823058      2.360471
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5658575-UqKm/orca E -6149.001043963649
  N      -1.643613      1.005428      5.843522
  Mo     -3.114416      2.325666      5.042121
  N      -5.044932      2.131596      5.578428
  C      -5.401805      2.822482      6.828264
  C      -4.554534      2.273117      7.971949
  N      -3.114607      2.383897      7.631435
  C      -2.301867      1.247284      8.132091
  C      -1.114639      0.984224      7.195446
  C      -2.527219      3.682888      8.058004
  C      -1.395784      4.125698      7.117473
  N      -1.906052      3.977792      5.758147
  H      -0.304625      1.709689      7.317136
  H      -0.690885     -0.009882      7.416289
  H      -1.974498      1.420913      9.171621
  H      -2.941965      0.354596      8.121498
  H      -1.158501      5.185571      7.310079
  H      -0.472252      3.556911      7.247892
  H      -3.321895      4.441299      8.005592
  H      -2.187026      3.625012      9.106140
  H      -6.468893      2.659119      7.042287
  H      -5.261930      3.910288      6.718602
  H      -4.790294      1.209506      8.105055
  H      -4.791446      2.793661      8.914891
  C      -4.631245     -5.022953      7.295240
  C      -5.694986     -3.952848      7.012006
  C      -5.606430     -3.426210      5.602170
  C      -6.295724     -4.050784      4.552871
  C      -6.159497     -3.610441      3.233477
  C      -5.316952     -2.545553      2.934935
  C      -4.634221     -1.892318      3.973634
  C      -3.730054     -0.773606      3.624516
  O      -3.366287     -0.513481      2.487069
  N      -3.265246      0.033294      4.711721
  C      -2.136954     -0.140641      5.345261
  C      -4.794334     -2.329906      5.297352
  C      -1.490247      7.925124      0.387541
  C      -1.559684      8.350433      1.861165
  C      -2.904083      8.053447      2.474379
  C      -3.926467      9.012460      2.476984
  C      -5.198313      8.714873      2.975825
  C      -5.472470      7.450007      3.484651
  C      -4.454758      6.482728      3.518250
  C      -4.795942      5.135382      4.050117
  O      -5.913762      4.643812      3.973249
  N      -3.759981      4.419999      4.684542
  C      -2.748888      4.929971      5.361440
  C      -3.182532      6.789833      3.008644
  C      -9.355581     -0.794030      7.736982
  C      -8.943758     -1.902467      6.757529
  C      -8.998119     -1.444774      5.321897
  C     -10.101855     -1.729551      4.508927
  C     -10.161926     -1.265344      3.190694
  C      -9.123805     -0.499966      2.670837
  C      -8.009877     -0.192412      3.470703
  C      -6.933848      0.652384      2.862987
  O      -6.916146      0.922051      1.665641
  N      -5.873803      1.090284      3.671019
  C      -6.076685      1.708092      4.777559
  C      -7.955594     -0.680912      4.783596
  H      -4.746266     -5.877097      6.612657
  H      -3.618559     -4.617089      7.154401
  H      -4.713144     -5.395426      8.326096
  H      -6.695823     -4.378479      7.183082
  H      -5.576620     -3.119307      7.723138
  H      -6.955312     -4.892585      4.776137
  H      -6.717197     -4.102460      2.435779
  H      -5.190939     -2.187190      1.912982
  H      -1.616743     -1.106295      5.454809
  H      -4.276456     -1.809350      6.105061
  H      -0.505458      8.158395     -0.040942
  H      -1.662034      6.844005      0.281954
  H      -2.255153      8.445281     -0.206393
  H      -0.772605      7.831104      2.430082
  H      -1.355063      9.428773      1.942184
  H      -3.723256     10.007102      2.073465
  H      -5.978865      9.477035      2.963387
  H      -6.461466      7.194471      3.865578
  H      -2.649962      5.987503      5.650397
  H      -2.403682      6.023927      2.982330
  H     -10.384249     -0.458495      7.542210
  H      -8.695335      0.080811      7.636372
  H      -9.300885     -1.145971      8.777269
  H      -9.604507     -2.772662      6.889848
  H      -7.922339     -2.235823      6.996386
  H     -10.922054     -2.329008      4.911759
  H     -11.027831     -1.502062      2.570207
  H      -9.149808     -0.126127      1.647173
  H      -7.079736      1.965417      5.154400
  H      -7.070690     -0.503208      5.395823
  N      -2.887324      2.207457      3.348790
  H      -2.922493      1.837619      2.389614
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5658575-UqKm/orca E -6149.001029690946
  N      -1.649699      1.019124      5.857110
  Mo     -3.120126      2.345076      5.060231
  N      -5.050436      2.153590      5.595881
  C      -5.408591      2.843813      6.845181
  C      -4.560689      2.292158      7.987121
  N      -3.121267      2.399994      7.642828
  C      -2.310552      1.261806      8.144460
  C      -1.122455      0.996434      7.209633
  C      -2.531102      3.696972      8.072286
  C      -1.396482      4.137563      7.135032
  N      -1.903385      3.991576      5.774485
  H      -0.310559      1.719116      7.333342
  H      -0.702071      0.001059      7.431079
  H      -1.985605      1.434241      9.184724
  H      -2.951925      0.370256      8.132072
  H      -1.158446      5.196988      7.329629
  H      -0.473918      3.567805      7.268156
  H      -3.323448      4.458123      8.020597
  H      -2.192592      3.635819      9.120799
  H      -6.475893      2.680889      7.058635
  H      -5.269207      3.931634      6.737042
  H      -4.797265      1.228715      8.118618
  H      -4.793803      2.811464      8.931576
  C      -4.661448     -5.022425      7.270486
  C      -5.724090     -3.950163      6.991027
  C      -5.628178     -3.411222      5.586234
  C      -6.314654     -4.026749      4.529549
  C      -6.171670     -3.577611      3.213924
  C      -5.325555     -2.512551      2.926429
  C      -4.645710     -1.867500      3.972531
  C      -3.738948     -0.747429      3.632161
  O      -3.384049     -0.474510      2.494797
  N      -3.274548      0.054681      4.722929
  C      -2.147205     -0.124327      5.358031
  C      -4.812233     -2.314037      5.292802
  C      -1.524638      7.869121      0.333056
  C      -1.550359      8.298557      1.807252
  C      -2.887209      8.033196      2.450664
  C      -3.890636      9.012339      2.468077
  C      -5.157899      8.742231      2.993697
  C      -5.447076      7.485595      3.514997
  C      -4.447093      6.499080      3.534423
  C      -4.799324      5.162491      4.084855
  O      -5.923915      4.683532      4.029728
  N      -3.760793      4.440681      4.708364
  C      -2.744376      4.946488      5.379703
  C      -3.179137      6.778861      2.999720
  C      -9.339555     -0.862640      7.736815
  C      -8.907917     -1.953911      6.746818
  C      -8.967451     -1.482747      5.316002
  C     -10.067476     -1.772104      4.499968
  C     -10.133336     -1.293890      3.186945
  C      -9.105051     -0.510528      2.675345
  C      -7.994309     -0.199246      3.477970
  C      -6.926464      0.660961      2.879664
  O      -6.918569      0.955580      1.687816
  N      -5.872362      1.102873      3.692043
  C      -6.080142      1.729054      4.792606
  C      -7.934027     -0.701685      4.785497
  H      -4.771993     -5.870882      6.580106
  H      -3.648192     -4.615587      7.138898
  H      -4.748721     -5.403851      8.297572
  H      -6.725251     -4.378457      7.153006
  H      -5.610020     -3.123202      7.710489
  H      -6.977237     -4.868878      4.743700
  H      -6.727329     -4.062656      2.410028
  H      -5.194188     -2.150740      1.909599
  H      -1.632758     -1.092862      5.469264
  H      -4.296035     -1.800597      6.106104
  H      -0.543027      8.073730     -0.116766
  H      -1.729382      6.792774      0.233358
  H      -2.287750      8.410036     -0.245203
  H      -0.762734      7.761795      2.359795
  H      -1.319028      9.372417      1.880780
  H      -3.676035     10.000642      2.054538
  H      -5.923472      9.519776      2.992807
  H      -6.432980      7.251772      3.917324
  H      -2.640657      6.003883      5.668022
  H      -2.415004      5.998204      2.966002
  H     -10.372445     -0.540452      7.542911
  H      -8.693208      0.023868      7.647833
  H      -9.282997     -1.226100      8.772951
  H      -9.554074     -2.836432      6.869577
  H      -7.881132     -2.272695      6.983804
  H     -10.880321     -2.385535      4.896151
  H     -10.995948     -1.534818      2.563586
  H      -9.135476     -0.126535      1.655485
  H      -7.084837      1.986282      5.165830
  H      -7.051154     -0.520455      5.399638
  N      -2.894759      2.228683      3.366436
  H      -2.930525      1.855607      2.408333
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5658575-UqKm/orca E -6149.001039021981
  N      -1.639471      1.025411      5.852797
  Mo     -3.121168      2.345027      5.063851
  N      -5.049049      2.141644      5.603175
  C      -5.408279      2.825925      6.854584
  C      -4.553327      2.278816      7.992648
  N      -3.115300      2.396108      7.643277
  C      -2.294804      1.263490      8.143186
  C      -1.108199      1.004270      7.203496
  C      -2.534090      3.697078      8.072716
  C      -1.403114      4.144595      7.134985
  N      -1.908762      3.996771      5.774598
  H      -0.298683      1.730567      7.324162
  H      -0.683225      0.010266      7.422724
  H      -1.966712      1.439993      9.181825
  H      -2.930580      0.367736      8.135467
  H      -1.171557      5.205608      7.329801
  H      -0.476922      3.580223      7.268231
  H      -3.332387      4.452245      8.021394
  H      -2.194931      3.638722      9.121170
  H      -6.473672      2.653392      7.071662
  H      -5.279360      3.915320      6.747714
  H      -4.781798      1.213388      8.122897
  H      -4.786881      2.795235      8.938579
  C      -4.642456     -5.038615      7.236506
  C      -5.706202     -3.968425      6.952090
  C      -5.601365     -3.425293      5.549320
  C      -6.278337     -4.039992      4.485649
  C      -6.129473     -3.585006      3.172537
  C      -5.287187     -2.514153      2.894454
  C      -4.616180     -1.870690      3.947594
  C      -3.714753     -0.743926      3.619023
  O      -3.366822     -0.453616      2.483298
  N      -3.260126      0.054747      4.716926
  C      -2.130715     -0.119349      5.351349
  C      -4.787927     -2.323363      5.265360
  C      -1.542855      7.856028      0.332042
  C      -1.552660      8.267508      1.811764
  C      -2.890100      8.014156      2.459515
  C      -3.885955      9.001061      2.476409
  C      -5.154381      8.741874      3.005235
  C      -5.452668      7.487518      3.528149
  C      -4.460407      6.493243      3.545989
  C      -4.816880      5.159784      4.100873
  O      -5.943673      4.685581      4.059409
  N      -3.773326      4.438198      4.716842
  C      -2.754833      4.948269      5.380663
  C      -3.190304      6.763230      3.012429
  C      -9.425237     -0.749155      7.742591
  C      -8.962764     -1.869572      6.800549
  C      -8.993912     -1.448625      5.353826
  C     -10.073386     -1.773973      4.523670
  C     -10.113979     -1.338303      3.195068
  C      -9.080550     -0.563615      2.680835
  C      -7.988651     -0.220230      3.495812
  C      -6.913075      0.627766      2.891170
  O      -6.907033      0.918436      1.698413
  N      -5.863845      1.078237      3.704558
  C      -6.075919      1.709054      4.801346
  C      -7.954021     -0.678803      4.820162
  H      -4.745073     -5.885387      6.542826
  H      -3.629441     -4.628512      7.114315
  H      -4.736367     -5.422969      8.261975
  H      -6.707405     -4.399978      7.104527
  H      -5.599992     -3.143815      7.675444
  H      -6.938630     -4.886126      4.692317
  H      -6.678757     -4.069110      2.363361
  H      -5.153533     -2.148758      1.880333
  H      -1.610935     -1.085577      5.458372
  H      -4.280438     -1.808954      6.084096
  H      -0.559417      8.048019     -0.119443
  H      -1.769613      6.785129      0.218891
  H      -2.298127      8.419980     -0.235608
  H      -0.770568      7.710681      2.353248
  H      -1.303151      9.336745      1.897864
  H      -3.664299      9.987229      2.060948
  H      -5.913533      9.525810      3.005969
  H      -6.440093      7.261829      3.931746
  H      -2.652118      6.006992      5.664868
  H      -2.430676      5.977626      2.984774
  H     -10.456237     -0.443704      7.513713
  H      -8.784568      0.139998      7.636953
  H      -9.389672     -1.075820      8.791601
  H      -9.602901     -2.754349      6.940131
  H      -7.938111     -2.171147      7.069613
  H     -10.890624     -2.380518      4.921247
  H     -10.960986     -1.606002      2.560937
  H      -9.092731     -0.211949      1.649069
  H      -7.082479      1.957899      5.174665
  H      -7.087556     -0.468279      5.448216
  N      -2.903516      2.231037      3.369277
  H      -2.939813      1.853166      2.412791
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5658575-UqKm/orca E -6149.001077438205
  N      -1.650240      1.025377      5.834363
  Mo     -3.132910      2.349249      5.053413
  N      -5.058546      2.156037      5.605964
  C      -5.404649      2.843694      6.859416
  C      -4.544198      2.294404      7.992587
  N      -3.107548      2.404602      7.633297
  C      -2.288676      1.268706      8.129159
  C      -1.109783      1.003425      7.181652
  C      -2.518003      3.704694      8.055293
  C      -1.391354      4.144817      7.108833
  N      -1.907324      3.997357      5.751709
  H      -0.297060      1.727387      7.294860
  H      -0.686671      0.008280      7.399063
  H      -1.952330      1.445300      9.165145
  H      -2.928489      0.375767      8.127070
  H      -1.152849      5.204907      7.299748
  H      -0.467446      3.575519      7.236502
  H      -3.313421      4.462579      8.005277
  H      -2.173530      3.648832      9.101901
  H      -6.469053      2.676051      7.084840
  H      -5.271214      3.932347      6.749087
  H      -4.777473      1.230338      8.126846
  H      -4.769065      2.813860      8.938928
  C      -4.648307     -5.023272      7.254067
  C      -5.714451     -3.956512      6.966226
  C      -5.613652     -3.420994      5.560362
  C      -6.286279     -4.046059      4.500187
  C      -6.140184     -3.597539      3.184573
  C      -5.304560     -2.523030      2.900378
  C      -4.637933     -1.869866      3.949914
  C      -3.744486     -0.739189      3.616184
  O      -3.387435     -0.459956      2.480317
  N      -3.282188      0.058131      4.711928
  C      -2.148545     -0.118453      5.337697
  C      -4.807533     -2.315647      5.270200
  C      -1.494580      7.876591      0.365231
  C      -1.525743      8.282847      1.845696
  C      -2.872212      8.027135      2.473184
  C      -3.870950      9.010978      2.470332
  C      -5.146515      8.750784      2.980824
  C      -5.449081      7.497740      3.504116
  C      -4.455128      6.506437      3.540535
  C      -4.817309      5.172327      4.089926
  O      -5.945962      4.702721      4.045415
  N      -3.776921      4.445400      4.705506
  C      -2.752081      4.952208      5.362062
  C      -3.177588      6.777317      3.025405
  C      -9.441373     -0.811526      7.746160
  C      -8.945103     -1.910920      6.796719
  C      -8.987015     -1.480382      5.352777
  C     -10.058781     -1.825291      4.520403
  C     -10.109650     -1.382129      3.194722
  C      -9.094481     -0.579852      2.685740
  C      -8.011624     -0.215250      3.503499
  C      -6.958432      0.665348      2.904031
  O      -6.940917      0.934233      1.706631
  N      -5.898927      1.102216      3.711398
  C      -6.095200      1.731314      4.811952
  C      -7.965748     -0.682261      4.824657
  H      -4.751532     -5.873556      6.564959
  H      -3.636340     -4.611729      7.127211
  H      -4.739236     -5.402379      8.281728
  H      -6.714544     -4.388716      7.123204
  H      -5.608064     -3.127396      7.684245
  H      -6.940810     -4.895117      4.711719
  H      -6.685821     -4.089892      2.378410
  H      -5.173437     -2.160586      1.880593
  H      -1.629511     -1.085696      5.439229
  H      -4.304428     -1.792964      6.086244
  H      -0.505136      8.071103     -0.071480
  H      -1.718921      6.806639      0.245614
  H      -2.241249      8.441614     -0.211284
  H      -0.752050      7.724485      2.396201
  H      -1.277582      9.351248      1.939357
  H      -3.645655      9.996134      2.054880
  H      -5.907558      9.532375      2.966355
  H      -6.442305      7.270151      3.891898
  H      -2.641640      6.011489      5.641007
  H      -2.416144      5.993472      3.012913
  H     -10.480934     -0.536004      7.518006
  H      -8.827460      0.096834      7.647102
  H      -9.396408     -1.143541      8.793343
  H      -9.558231     -2.815589      6.928969
  H      -7.912723     -2.183492      7.063849
  H     -10.861350     -2.453811      4.913956
  H     -10.950517     -1.664670      2.559173
  H      -9.115492     -0.220513      1.656840
  H      -7.096635      1.989536      5.192530
  H      -7.104180     -0.456409      5.454025
  N      -2.928618      2.230906      3.357681
  H      -2.972370      1.849946      2.403022
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5658575-UqKm/orca E -6149.001190116227
  N      -1.657374      1.024612      5.853634
  Mo     -3.133110      2.355098      5.070468
  N      -5.060463      2.166307      5.618384
  C      -5.406711      2.849869      6.874230
  C      -4.549427      2.295068      8.007497
  N      -3.111817      2.405263      7.653028
  C      -2.294789      1.268351      8.148539
  C      -1.116845      1.001088      7.200696
  C      -2.521264      3.704517      8.076433
  C      -1.391404      4.142894      7.132474
  N      -1.904743      3.998170      5.773762
  H      -0.302446      1.723036      7.314444
  H      -0.695954      0.004922      7.418012
  H      -1.957657      1.444703      9.184397
  H      -2.935883      0.376269      8.146938
  H      -1.150510      5.202074      7.325286
  H      -0.469172      3.571433      7.261869
  H      -3.315376      4.463691      8.025372
  H      -2.178617      3.647544      9.123823
  H      -6.471861      2.684540      7.097241
  H      -5.270527      3.938621      6.768607
  H      -4.784023      1.230747      8.137441
  H      -4.775834      2.811454      8.955170
  C      -4.618877     -5.035429      7.249930
  C      -5.692186     -3.970129      6.984249
  C      -5.610463     -3.422008      5.582186
  C      -6.299275     -4.036344      4.526369
  C      -6.169256     -3.577843      3.212542
  C      -5.333323     -2.504349      2.925787
  C      -4.651732     -1.861108      3.971609
  C      -3.758731     -0.730861      3.634432
  O      -3.406382     -0.451165      2.497223
  N      -3.290654      0.064499      4.728524
  C      -2.158545     -0.116997      5.355392
  C      -4.805910     -2.316515      5.290194
  C      -1.523292      7.847147      0.318871
  C      -1.531283      8.261918      1.797143
  C      -2.870003      8.017554      2.445015
  C      -3.863819      9.006238      2.449550
  C      -5.133749      8.755340      2.978073
  C      -5.435356      7.507757      3.514141
  C      -4.445183      6.512516      3.546371
  C      -4.809422      5.183302      4.106940
  O      -5.939804      4.717679      4.068934
  N      -3.770738      4.452988      4.723002
  C      -2.746124      4.955752      5.383246
  C      -3.174203      6.772959      3.008909
  C      -9.415180     -0.869808      7.724037
  C      -8.929345     -1.950263      6.747724
  C      -8.978794     -1.488263      5.313652
  C     -10.057194     -1.811964      4.481231
  C     -10.115605     -1.340126      3.165742
  C      -9.101953     -0.529005      2.667813
  C      -8.012231     -0.185127      3.485991
  C      -6.961077      0.705625      2.899061
  O      -6.967190      1.025051      1.713781
  N      -5.902196      1.135453      3.710983
  C      -6.097841      1.749587      4.820431
  C      -7.958548     -0.681541      4.796035
  H      -4.727125     -5.880140      6.554667
  H      -3.609661     -4.619174      7.114778
  H      -4.696305     -5.423895      8.275256
  H      -6.688849     -4.407455      7.149231
  H      -5.579995     -3.147249      7.708582
  H      -6.953017     -4.885264      4.739782
  H      -6.726491     -4.062265      2.409861
  H      -5.213521     -2.133751      1.906400
  H      -1.644598     -1.086556      5.460297
  H      -4.289476     -1.802507      6.103040
  H      -0.539065      8.033042     -0.133165
  H      -1.755456      6.778044      0.208972
  H      -2.274811      8.412882     -0.249816
  H      -0.753069      7.702602      2.339452
  H      -1.276073      9.329234      1.880687
  H      -3.639704      9.987210      2.024221
  H      -5.891461      9.540146      2.967584
  H      -6.424590      7.287792      3.916099
  H      -2.632757      6.014283      5.663500
  H      -2.418523      5.984285      2.986274
  H     -10.454903     -0.584384      7.508758
  H      -8.797912      0.037595      7.641434
  H      -9.365533     -1.225253      8.763288
  H      -9.546379     -2.854241      6.864146
  H      -7.897128     -2.233272      7.003583
  H     -10.858983     -2.446857      4.866373
  H     -10.961372     -1.606837      2.529732
  H      -9.129276     -0.146871      1.647305
  H      -7.098402      2.008825      5.202317
  H      -7.091411     -0.473724      5.423832
  N      -2.922969      2.238236      3.375188
  H      -2.965501      1.855725      2.420886
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5658575-UqKm/orca E -6149.001232746999
  N      -1.657337      1.032141      5.860918
  Mo     -3.134616      2.366929      5.084485
  N      -5.060940      2.178731      5.634369
  C      -5.405165      2.860508      6.891218
  C      -4.545973      2.303239      8.021519
  N      -3.109086      2.411606      7.662986
  C      -2.292476      1.273297      8.156741
  C      -1.115779      1.004948      7.207389
  C      -2.517088      3.709312      8.088698
  C      -1.386706      4.147070      7.145795
  N      -1.899875      4.005867      5.786828
  H      -0.299738      1.724863      7.321400
  H      -0.697141      0.007481      7.422722
  H      -1.953903      1.448787      9.192135
  H      -2.934556      0.382122      8.155664
  H      -1.144110      5.205577      7.340600
  H      -0.465476      3.573758      7.274542
  H      -3.310469      4.469478      8.038424
  H      -2.174994      3.650328      9.136082
  H      -6.469937      2.694779      7.116252
  H      -5.269419      3.949354      6.786837
  H      -4.781332      1.239056      8.150234
  H      -4.769053      2.818511      8.970540
  C      -4.641302     -5.039212      7.218949
  C      -5.712896     -3.972570      6.951394
  C      -5.620390     -3.415836      5.553251
  C      -6.301762     -4.024129      4.488856
  C      -6.163734     -3.557161      3.178861
  C      -5.327101     -2.480913      2.904485
  C      -4.651965     -1.843903      3.958545
  C      -3.758325     -0.710809      3.632920
  O      -3.415884     -0.413819      2.496710
  N      -3.292035      0.077958      4.732631
  C      -2.159643     -0.107048      5.359077
  C      -4.814000     -2.308004      5.273552
  C      -1.550471      7.816961      0.282352
  C      -1.529457      8.228690      1.761586
  C      -2.862192      8.003843      2.428819
  C      -3.844941      9.003590      2.438989
  C      -5.110740      8.770353      2.985286
  C      -5.419233      7.529636      3.533833
  C      -4.439677      6.523748      3.560570
  C      -4.809964      5.202543      4.136173
  O      -5.944217      4.745330      4.113757
  N      -3.769650      4.466920      4.744382
  C      -2.740685      4.966030      5.400064
  C      -3.172707      6.766607      3.005635
  C      -9.458455     -0.870546      7.727384
  C      -8.926299     -1.946838      6.771050
  C      -8.965286     -1.501608      5.331576
  C     -10.024125     -1.857862      4.487497
  C     -10.074188     -1.400829      3.166448
  C      -9.071361     -0.573358      2.673988
  C      -8.000189     -0.199183      3.502976
  C      -6.958275      0.704954      2.920183
  O      -6.966813      1.029439      1.736295
  N      -5.903273      1.137518      3.733899
  C      -6.098773      1.760227      4.837817
  C      -7.955107     -0.679409      4.819315
  H      -4.743462     -5.879535      6.517530
  H      -3.631472     -4.621816      7.094782
  H      -4.726722     -5.434077      8.241142
  H      -6.710489     -4.411445      7.105685
  H      -5.606704     -3.154263      7.681779
  H      -6.957011     -4.874617      4.692618
  H      -6.716256     -4.036553      2.369374
  H      -5.201888     -2.105335      1.889879
  H      -1.647260     -1.077862      5.459922
  H      -4.303882     -1.798005      6.093127
  H      -0.569678      7.986294     -0.183359
  H      -1.803759      6.752279      0.173694
  H      -2.299859      8.397781     -0.274572
  H      -0.752261      7.655479      2.291482
  H      -1.255698      9.291858      1.843490
  H      -3.615605      9.979235      2.003737
  H      -5.859830      9.563596      2.979233
  H      -6.405536      7.323525      3.950107
  H      -2.623062      6.024090      5.680593
  H      -2.426079      5.969283      2.979288
  H     -10.501900     -0.617048      7.491692
  H      -8.865901      0.053403      7.644989
  H      -9.416443     -1.213721      8.771027
  H      -9.518640     -2.867315      6.887691
  H      -7.890412     -2.197556      7.045908
  H     -10.817332     -2.505962      4.867979
  H     -10.904618     -1.692692      2.521402
  H      -9.092493     -0.202618      1.649117
  H      -7.099717      2.020207      5.218872
  H      -7.102069     -0.445575      5.457485
  N      -2.928026      2.254482      3.388638
  H      -2.971235      1.868433      2.435586
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5658575-UqKm/orca E -6149.001279601742
  N      -1.665279      1.037868      5.858450
  Mo     -3.143939      2.378409      5.091403
  N      -5.067779      2.193264      5.650125
  C      -5.403564      2.873901      6.909776
  C      -4.539211      2.313397      8.034494
  N      -3.104184      2.420006      7.668227
  C      -2.286177      1.280878      8.158019
  C      -1.115932      1.009111      7.201616
  C      -2.508940      3.717353      8.090681
  C      -1.380826      4.151964      7.143865
  N      -1.898626      4.012365      5.786187
  H      -0.297297      1.726838      7.310617
  H      -0.698873      0.010482      7.414767
  H      -1.940652      1.457323      9.190922
  H      -2.929642      0.390734      8.162499
  H      -1.134718      5.209799      7.338102
  H      -0.460727      3.576292      7.269848
  H      -3.301455      4.478508      8.041763
  H      -2.163866      3.659058      9.137149
  H      -6.467284      2.709909      7.140867
  H      -5.266676      3.962674      6.805984
  H      -4.775417      1.249345      8.162606
  H      -4.756003      2.827470      8.985644
  C      -4.640005     -5.034468      7.204918
  C      -5.717772     -3.974204      6.936866
  C      -5.624721     -3.413497      5.540412
  C      -6.301094     -4.022189      4.473055
  C      -6.163478     -3.550596      3.164697
  C      -5.332329     -2.468960      2.895057
  C      -4.662033     -1.831813      3.952104
  C      -3.774245     -0.692940      3.631472
  O      -3.434841     -0.389083      2.495817
  N      -3.306081      0.089868      4.734254
  C      -2.171965     -0.099029      5.357035
  C      -4.823390     -2.301031      5.265321
  C      -1.546244      7.795129      0.270474
  C      -1.513848      8.199162      1.751682
  C      -2.847831      7.991521      2.421979
  C      -3.822397      8.999514      2.423552
  C      -5.089285      8.782419      2.973951
  C      -5.407573      7.549725      3.534965
  C      -4.436739      6.535732      3.568718
  C      -4.815353      5.222760      4.156291
  O      -5.954559      4.777909      4.151933
  N      -3.774811      4.480347      4.757122
  C      -2.738806      4.975517      5.403840
  C      -3.167951      6.762747      3.011058
  C      -9.496946     -0.904109      7.726303
  C      -8.919898     -1.963161      6.776968
  C      -8.956884     -1.520071      5.336773
  C      -9.998386     -1.904113      4.483369
  C     -10.047973     -1.449702      3.161394
  C      -9.062101     -0.597373      2.677186
  C      -8.007477     -0.196704      3.515034
  C      -6.982790      0.731771      2.940422
  O      -7.006983      1.080482      1.763569
  N      -5.924711      1.158462      3.752375
  C      -6.111531      1.779805      4.858068
  C      -7.962701     -0.673810      4.832475
  H      -4.734313     -5.873518      6.500863
  H      -3.632483     -4.610081      7.085220
  H      -4.726095     -5.432653      8.225769
  H      -6.713025     -4.419848      7.086910
  H      -5.619092     -3.157190      7.669723
  H      -6.952533     -4.876415      4.673239
  H      -6.712380     -4.030196      2.352934
  H      -5.207852     -2.090067      1.882042
  H      -1.661964     -1.071419      5.454684
  H      -4.317356     -1.790634      6.087141
  H      -0.563861      7.949207     -0.197301
  H      -1.819035      6.735615      0.157707
  H      -2.286725      8.391989     -0.281510
  H      -0.744047      7.611309      2.276249
  H      -1.223310      9.257636      1.837721
  H      -3.585409      9.969206      1.979136
  H      -5.831518      9.582044      2.961561
  H      -6.394919      7.356105      3.954832
  H      -2.613550      6.033944      5.679927
  H      -2.427847      5.959018      2.993310
  H     -10.544988     -0.683516      7.478147
  H      -8.932867      0.037969      7.650408
  H      -9.456667     -1.245735      8.770511
  H      -9.483581     -2.902205      6.887650
  H      -7.879367     -2.180764      7.063280
  H     -10.778229     -2.572009      4.857227
  H     -10.864552     -1.763429      2.508985
  H      -9.083546     -0.227902      1.651865
  H      -7.109422      2.042169      5.245429
  H      -7.122067     -0.418010      5.478553
  N      -2.946522      2.266839      3.394428
  H      -2.993659      1.872574      2.444639
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5658575-UqKm/orca E -6149.001362194840
  N      -1.675613      1.047950      5.856457
  Mo     -3.157506      2.399752      5.109582
  N      -5.075560      2.221925      5.688086
  C      -5.391095      2.900980      6.954032
  C      -4.515949      2.333104      8.066879
  N      -3.084798      2.434774      7.684426
  C      -2.264670      1.292891      8.164252
  C      -1.108819      1.014614      7.192208
  C      -2.481365      3.730975      8.098986
  C      -1.359679      4.158744      7.141787
  N      -1.890245      4.023575      5.787742
  H      -0.285145      1.728222      7.290212
  H      -0.694399      0.013697      7.399513
  H      -1.903416      1.469918      9.191685
  H      -2.911613      0.405423      8.179796
  H      -1.104476      5.214745      7.334300
  H      -0.442470      3.576722      7.259121
  H      -3.271778      4.494443      8.053266
  H      -2.128833      3.674393      9.143060
  H      -6.452456      2.742105      7.198895
  H      -5.249440      3.989171      6.850621
  H      -4.755643      1.269800      8.194905
  H      -4.719338      2.845564      9.021915
  C      -4.610612     -5.042374      7.183831
  C      -5.696064     -3.984719      6.937507
  C      -5.621539     -3.411404      5.545158
  C      -6.305501     -4.014782      4.479622
  C      -6.185629     -3.530279      3.174234
  C      -5.365209     -2.440210      2.905813
  C      -4.687928     -1.808263      3.961317
  C      -3.812532     -0.660254      3.642497
  O      -3.493970     -0.339283      2.504682
  N      -3.332007      0.111409      4.746848
  C      -2.191278     -0.084524      5.356120
  C      -4.831200     -2.291148      5.271627
  C      -1.540312      7.756958      0.241144
  C      -1.491846      8.150700      1.724615
  C      -2.827203      7.969667      2.399799
  C      -3.792129      8.986818      2.379112
  C      -5.059807      8.795584      2.936848
  C      -5.388969      7.579729      3.527623
  C      -4.428888      6.556940      3.581941
  C      -4.819059      5.260664      4.196993
  O      -5.965534      4.835863      4.223028
  N      -3.779050      4.506333      4.786603
  C      -2.729200      4.993286      5.415865
  C      -3.158652      6.758016      3.016515
  C      -9.587992     -1.001496      7.698889
  C      -8.928177     -2.013517      6.752662
  C      -8.956445     -1.555119      5.316958
  C      -9.965806     -1.971334      4.440205
  C     -10.010559     -1.503920      3.122678
  C      -9.051965     -0.606157      2.666293
  C      -8.028607     -0.174322      3.527356
  C      -7.035598      0.805232      2.982648
  O      -7.085720      1.209003      1.824393
  N      -5.969234      1.206544      3.795199
  C      -6.133839      1.822272      4.906453
  C      -7.987762     -0.664549      4.839995
  H      -4.708965     -5.874955      6.472705
  H      -3.606468     -4.611888      7.057209
  H      -4.683715     -5.450668      8.201703
  H      -6.687787     -4.435573      7.094784
  H      -5.592623     -3.173594      7.676160
  H      -6.948684     -4.875337      4.679065
  H      -6.739675     -4.006550      2.364138
  H      -5.254082     -2.050927      1.894031
  H      -1.684365     -1.059463      5.444073
  H      -4.320333     -1.784227      6.092625
  H      -0.556597      7.889640     -0.230344
  H      -1.839792      6.705341      0.124047
  H      -2.267843      8.375047     -0.304276
  H      -0.733799      7.542127      2.241973
  H      -1.176619      9.201607      1.815784
  H      -3.546682      9.943810      1.912353
  H      -5.793946      9.602092      2.906999
  H      -6.377085      7.405933      3.954253
  H      -2.588977      6.051851      5.684281
  H      -2.427626      5.946013      3.015185
  H     -10.640556     -0.837891      7.426745
  H      -9.076716     -0.028300      7.647708
  H      -9.553786     -1.353145      8.740030
  H      -9.438523     -2.985130      6.838581
  H      -7.883739     -2.174623      7.060863
  H     -10.724076     -2.675016      4.792368
  H     -10.801755     -1.843015      2.451972
  H      -9.071333     -0.223971      1.645638
  H      -7.123696      2.096356      5.306130
  H      -7.171493     -0.381196      5.505476
  N      -2.979736      2.289864      3.410393
  H      -3.034382      1.877936      2.467951
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5658575-UqKm/orca E -6149.001449625081
  N      -1.681571      1.055280      5.860743
  Mo     -3.164270      2.422734      5.137529
  N      -5.074823      2.252433      5.739193
  C      -5.365652      2.930154      7.012513
  C      -4.480060      2.351016      8.111697
  N      -3.053566      2.445375      7.712035
  C      -2.233472      1.298034      8.177617
  C      -1.094715      1.013456      7.187584
  C      -2.438294      3.738388      8.118954
  C      -1.324571      4.158777      7.149494
  N      -1.871659      4.032131      5.800047
  H      -0.265150      1.721599      7.274880
  H      -0.683795      0.009411      7.386170
  H      -1.854222      1.471998      9.199111
  H      -2.885498      0.414559      8.202985
  H      -1.057045      5.211711      7.341774
  H      -0.411565      3.567985      7.254231
  H      -3.224784      4.506056      8.079088
  H      -2.076020      3.681191      9.159675
  H      -6.424516      2.780145      7.272451
  H      -5.214740      4.017143      6.910085
  H      -4.725904      1.288952      8.238492
  H      -4.668157      2.860726      9.071445
  C      -4.610819     -5.022707      7.185219
  C      -5.704433     -3.975307      6.932097
  C      -5.626418     -3.400912      5.540535
  C      -6.294301     -4.012326      4.469537
  C      -6.172263     -3.524598      3.165596
  C      -5.366816     -2.421833      2.904706
  C      -4.705297     -1.782328      3.965386
  C      -3.844336     -0.622010      3.654104
  O      -3.536105     -0.287161      2.516550
  N      -3.353832      0.134969      4.762672
  C      -2.208066     -0.070894      5.359796
  C      -4.849554     -2.270237      5.273656
  C      -1.570723      7.711038      0.179598
  C      -1.488040      8.092998      1.664462
  C      -2.815864      7.941302      2.361177
  C      -3.770459      8.967994      2.327399
  C      -5.031703      8.805474      2.907662
  C      -5.364752      7.609739      3.535859
  C      -4.415371      6.578233      3.603724
  C      -4.812899      5.302752      4.255128
  O      -5.966411      4.901655      4.320761
  N      -3.773727      4.535359      4.832226
  C      -2.708410      5.010724      5.443030
  C      -3.151715      6.749679      3.012310
  C      -9.698058     -1.130729      7.657251
  C      -8.940058     -2.075312      6.715022
  C      -8.956139     -1.590645      5.287526
  C      -9.928091     -2.032961      4.381568
  C      -9.966220     -1.543187      3.072021
  C      -9.037832     -0.596630      2.652732
  C      -8.050886     -0.139714      3.543119
  C      -7.094544      0.896257      3.041213
  O      -7.181248      1.376322      1.914683
  N      -6.016479      1.262350      3.853669
  C      -6.151792      1.872301      4.970564
  C      -8.016132     -0.651548      4.847474
  H      -4.696478     -5.855216      6.472368
  H      -3.610011     -4.582245      7.065880
  H      -4.687266     -5.433013      8.202017
  H      -6.693191     -4.434763      7.083033
  H      -5.613699     -3.162852      7.670886
  H      -6.926890     -4.881695      4.663658
  H      -6.713013     -4.008138      2.351150
  H      -5.252733     -2.028702      1.892992
  H      -1.704923     -1.048820      5.435503
  H      -4.351826     -1.757452      6.098842
  H      -0.592412      7.822305     -0.308331
  H      -1.897810      6.667995      0.062193
  H      -2.291516      8.349842     -0.349868
  H      -0.737221      7.462707      2.165030
  H      -1.145577      9.135092      1.756826
  H      -3.522235      9.909755      1.832222
  H      -5.757711      9.618642      2.866061
  H      -6.347767      7.458431      3.982240
  H      -2.551448      6.068185      5.706385
  H      -2.431876      5.928201      3.016098
  H     -10.750277     -1.033902      7.353613
  H      -9.253373     -0.124483      7.641270
  H      -9.672644     -1.500499      8.692482
  H      -9.384322     -3.081279      6.765904
  H      -7.896972     -2.170542      7.053067
  H     -10.662176     -2.775222      4.704968
  H     -10.727853     -1.903313      2.378565
  H      -9.052994     -0.194623      1.639629
  H      -7.130497      2.161459      5.386878
  H      -7.229812     -0.342771      5.537250
  N      -3.007190      2.318466      3.435757
  H      -3.068029      1.884087      2.503010
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5658575-UqKm/orca E -6148.988598463574
  N      -1.689931      1.058405      5.854082
  Mo     -3.171335      2.439455      5.149861
  N      -5.074129      2.278735      5.773547
  C      -5.342942      2.956589      7.052087
  C      -4.448635      2.368754      8.139623
  N      -3.026563      2.454614      7.724033
  C      -2.208118      1.301985      8.178083
  C      -1.085051      1.009627      7.172390
  C      -2.398867      3.743960      8.122856
  C      -1.293688      4.157008      7.140683
  N      -1.856887      4.036490      5.797028
  H      -0.249081      1.711418      7.249536
  H      -0.679133      0.002231      7.363898
  H      -1.812917      1.473171      9.194018
  H      -2.865634      0.422912      8.212748
  H      -1.015051      5.207439      7.330971
  H      -0.384325      3.558679      7.233689
  H      -3.181098      4.516334      8.090584
  H      -2.025526      3.685657      9.159617
  H      -6.399629      2.815204      7.325216
  H      -5.183370      4.042197      6.949286
  H      -4.700435      1.308176      8.267165
  H      -4.622889      2.877695      9.102487
  C      -4.594845     -5.013309      7.193362
  C      -5.693986     -3.968988      6.952060
  C      -5.630938     -3.391912      5.560823
  C      -6.302563     -4.006650      4.494092
  C      -6.195052     -3.515762      3.190047
  C      -5.401181     -2.405795      2.924881
  C      -4.735572     -1.763134      3.981132
  C      -3.886195     -0.595919      3.664815
  O      -3.602114     -0.248855      2.523997
  N      -3.378755      0.152582      4.770292
  C      -2.227955     -0.062520      5.355081
  C      -4.864908     -2.254954      5.289627
  C      -1.579209      7.689974      0.148852
  C      -1.481039      8.064816      1.634569
  C      -2.805585      7.929626      2.341054
  C      -3.753815      8.962094      2.299175
  C      -5.011607      8.816400      2.891071
  C      -5.347471      7.632291      3.539529
  C      -4.404911      6.594980      3.614671
  C      -4.806694      5.333390      4.288923
  O      -5.964002      4.948382      4.381053
  N      -3.768159      4.557511      4.856397
  C      -2.689728      5.022962      5.450745
  C      -3.144573      6.749715      3.011165
  C      -9.799223     -1.242485      7.606226
  C      -8.952625     -2.124856      6.678828
  C      -8.952906     -1.622523      5.257443
  C      -9.889397     -2.086327      4.325056
  C      -9.918891     -1.579495      3.021880
  C      -9.016112     -0.595156      2.634848
  C      -8.062869     -0.118872      3.551282
  C      -7.136041      0.958957      3.086326
  O      -7.249945      1.493052      1.986965
  N      -6.051217      1.301984      3.899038
  C      -6.165608      1.911984      5.017115
  C      -8.036603     -0.646409      4.849363
  H      -4.684185     -5.844546      6.479470
  H      -3.596634     -4.569293      7.065998
  H      -4.660975     -5.426124      8.209847
  H      -6.679967     -4.431534      7.111435
  H      -5.599362     -3.157155      7.691007
  H      -6.926677     -4.881369      4.691790
  H      -6.738141     -4.002608      2.379145
  H      -5.297344     -2.009689      1.913573
  H      -1.730202     -1.043852      5.422023
  H      -4.364354     -1.739910      6.111683
  H      -0.603430      7.791540     -0.346273
  H      -1.919142      6.651114      0.030016
  H      -2.296321      8.339159     -0.373124
  H      -0.735484      7.422347      2.127535
  H      -1.123539      9.101842      1.728383
  H      -3.503348      9.895017      1.788554
  H      -5.732605      9.633662      2.842905
  H      -6.327451      7.494543      3.996849
  H      -2.518301      6.079209      5.710087
  H      -2.430176      5.923529      3.019705
  H     -10.845040     -1.208327      7.268962
  H      -9.419230     -0.210056      7.616843
  H      -9.784098     -1.623896      8.637438
  H      -9.335071     -3.157018      6.702532
  H      -7.917119     -2.160196      7.050416
  H     -10.603190     -2.858358      4.623244
  H     -10.652894     -1.956570      2.307961
  H      -9.025074     -0.178569      1.627516
  H      -7.135658      2.212125      5.445864
  H      -7.278552     -0.316345      5.560711
  N      -3.033355      2.336933      3.446089
  H      -3.101136      1.883879      2.521950
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5658575-UqKm/orca E -6149.001551721974
  N      -1.688703      1.054403      5.833204
  Mo     -3.168781      2.444193      5.145009
  N      -5.060098      2.287414      5.793286
  C      -5.307523      2.969161      7.075523
  C      -4.404826      2.375757      8.153105
  N      -2.987863      2.453106      7.722274
  C      -2.172853      1.294398      8.162690
  C      -1.064542      0.997653      7.141989
  C      -2.345609      3.737378      8.111914
  C      -1.254476      4.147870      7.112478
  N      -1.839641      4.032541      5.778303
  H      -0.223264      1.693944      7.211281
  H      -0.661860     -0.012645      7.324084
  H      -1.763512      1.457832      9.174438
  H      -2.836337      0.419833      8.201397
  H      -0.966623      5.196331      7.299925
  H      -0.346637      3.544654      7.187589
  H      -3.123044      4.515174      8.094324
  H      -1.954813      3.675304      9.142068
  H      -6.362402      2.838201      7.360377
  H      -5.136601      4.052407      6.969676
  H      -4.662348      1.316973      8.284163
  H      -4.567546      2.885769      9.117602
  C      -4.583543     -5.001547      7.249074
  C      -5.672085     -3.942490      7.025446
  C      -5.634319     -3.376473      5.628407
  C      -6.320478     -4.003129      4.578179
  C      -6.234445     -3.524723      3.267863
  C      -5.449577     -2.414428      2.979879
  C      -4.770095     -1.758422      4.019329
  C      -3.928023     -0.591901      3.678226
  O      -3.682894     -0.239897      2.529608
  N      -3.394903      0.156037      4.769963
  C      -2.237138     -0.063626      5.339005
  C      -4.876586     -2.238933      5.334491
  C      -1.571861      7.721563      0.147764
  C      -1.487075      8.090706      1.635766
  C      -2.813255      7.941346      2.336996
  C      -3.769818      8.966474      2.292669
  C      -5.026996      8.810780      2.883365
  C      -5.353401      7.624688      3.533087
  C      -4.403090      6.593519      3.609476
  C      -4.797225      5.336671      4.295146
  O      -5.954146      4.950806      4.395845
  N      -3.757682      4.565595      4.862222
  C      -2.668624      5.024899      5.441778
  C      -3.143396      6.759537      3.008209
  C      -9.903929     -1.357161      7.524422
  C      -8.971922     -2.169925      6.613154
  C      -8.955252     -1.643751      5.200887
  C      -9.880031     -2.095805      4.250777
  C      -9.905737     -1.560745      2.959074
  C      -9.006850     -0.562538      2.599540
  C      -8.063805     -0.101312      3.533224
  C      -7.149236      0.999436      3.109423
  O      -7.278059      1.587538      2.040138
  N      -6.062311      1.314796      3.933129
  C      -6.163908      1.932581      5.047320
  C      -8.042173     -0.653931      4.820503
  H      -4.703401     -5.837317      6.544906
  H      -3.581530     -4.574837      7.092701
  H      -4.631218     -5.405378      8.270146
  H      -6.660528     -4.389203      7.212927
  H      -5.549223     -3.125377      7.754357
  H      -6.937549     -4.878909      4.793628
  H      -6.786445     -4.022942      2.469869
  H      -5.357439     -2.028163      1.966385
  H      -1.740990     -1.046398      5.397200
  H      -4.363020     -1.716467      6.143823
  H      -0.596247      7.844172     -0.343239
  H      -1.889531      6.675877      0.021551
  H      -2.299984      8.358937     -0.374905
  H      -0.736791      7.454080      2.130549
  H      -1.141162      9.131540      1.735948
  H      -3.526218      9.900748      1.780931
  H      -5.754772      9.622113      2.833630
  H      -6.331251      7.480434      3.993122
  H      -2.488741      6.079386      5.702738
  H      -2.419391      5.941222      3.017191
  H     -10.938204     -1.385570      7.153187
  H      -9.593198     -0.302342      7.563147
  H      -9.897951     -1.753626      8.549973
  H      -9.294149     -3.222959      6.606157
  H      -7.949684     -2.149958      7.021974
  H     -10.590356     -2.878743      4.527936
  H     -10.631787     -1.928450      2.232182
  H      -9.010246     -0.123776      1.601373
  H      -7.126974      2.242387      5.484809
  H      -7.297572     -0.323180      5.545965
  N      -3.050857      2.339804      3.438807
  H      -3.125400      1.862007      2.526354
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5658575-UqKm/orca E -6149.001641954045
  N      -1.692171      1.048519      5.831985
  Mo     -3.166765      2.438098      5.134962
  N      -5.059670      2.284107      5.780514
  C      -5.311437      2.967943      7.059795
  C      -4.414280      2.376024      8.142248
  N      -2.995313      2.451703      7.717366
  C      -2.181608      1.293179      8.161283
  C      -1.071693      0.993775      7.142267
  C      -2.353585      3.735591      8.107947
  C      -1.260678      4.144470      7.109900
  N      -1.843438      4.028122      5.775603
  H      -0.229130      1.688696      7.212134
  H      -0.671339     -0.017164      7.326934
  H      -1.773464      1.458848      9.173151
  H      -2.845156      0.418785      8.201574
  H      -0.973435      5.193229      7.296949
  H      -0.352734      3.541441      7.188454
  H      -3.130900      4.513550      8.090430
  H      -1.963247      3.673616      9.138385
  H      -6.367817      2.838644      7.340409
  H      -5.140034      4.051298      6.953101
  H      -4.672142      1.317374      8.273854
  H      -4.580983      2.888189      9.104876
  C      -4.595869     -4.992946      7.245877
  C      -5.686222     -3.939598      7.004190
  C      -5.634426     -3.379980      5.605094
  C      -6.311889     -4.010291      4.551276
  C      -6.218207     -3.533910      3.240740
  C      -5.431742     -2.423835      2.955683
  C      -4.757288     -1.767133      3.998312
  C      -3.913706     -0.600703      3.660536
  O      -3.658512     -0.252255      2.513285
  N      -3.389676      0.151535      4.754266
  C      -2.239045     -0.069774      5.336584
  C      -4.873757     -2.243784      5.313871
  C      -1.568320      7.728037      0.164037
  C      -1.486879      8.108865      1.649105
  C      -2.812662      7.954863      2.349959
  C      -3.769207      8.979973      2.315255
  C      -5.027246      8.817295      2.902621
  C      -5.354121      7.624108      3.538947
  C      -4.402630      6.593294      3.607228
  C      -4.796422      5.328077      4.279129
  O      -5.951357      4.933531      4.365386
  N      -3.755969      4.559384      4.847704
  C      -2.670808      5.019654      5.434272
  C      -3.143082      6.765806      3.008760
  C      -9.899621     -1.305891      7.550428
  C      -8.977761     -2.141986      6.650995
  C      -8.956483     -1.637218      5.231269
  C      -9.875449     -2.106618      4.283810
  C      -9.893300     -1.594432      2.982796
  C      -8.996655     -0.598270      2.612474
  C      -8.060282     -0.118544      3.543519
  C      -7.142454      0.974804      3.103445
  O      -7.264424      1.538673      2.020091
  N      -6.056187      1.301700      3.922404
  C      -6.161016      1.923716      5.034228
  C      -8.043366     -0.652052      4.839353
  H      -4.704374     -5.833591      6.545659
  H      -3.592872     -4.563641      7.098358
  H      -4.653242     -5.390619      8.268924
  H      -6.674796     -4.390161      7.181361
  H      -5.575129     -3.119517      7.731682
  H      -6.930997     -4.885200      4.764367
  H      -6.767070     -4.032260      2.440554
  H      -5.337921     -2.036918      1.941583
  H      -1.745989     -1.053646      5.402015
  H      -4.367665     -1.717735      6.125592
  H      -0.592965      7.854258     -0.326370
  H      -1.879063      6.679803      0.044111
  H      -2.300237      8.357017     -0.363083
  H      -0.732987      7.480621      2.148938
  H      -1.147568      9.152341      1.742174
  H      -3.525311      9.919376      1.813268
  H      -5.755469      9.628638      2.860808
  H      -6.333477      7.474025      3.993733
  H      -2.492945      6.073934      5.697397
  H      -2.418608      5.947964      3.010744
  H     -10.934743     -1.329251      7.180764
  H      -9.577927     -0.253937      7.571447
  H      -9.896326     -1.686484      8.581892
  H      -9.311109     -3.191562      6.661258
  H      -7.955692     -2.127379      7.059482
  H     -10.585273     -2.887156      4.568901
  H     -10.613944     -1.976245      2.257681
  H      -8.997529     -0.175627      1.607540
  H      -7.125350      2.233372      5.468591
  H      -7.298977     -0.313003      5.560916
  N      -3.042520      2.332843      3.429349
  H      -3.120447      1.860611      2.514715
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5658575-UqKm/orca E -6149.001673149413
  N      -1.694106      1.042583      5.824558
  Mo     -3.165715      2.431571      5.123687
  N      -5.057702      2.279020      5.772437
  C      -5.310154      2.966145      7.049401
  C      -4.414017      2.376237      8.133703
  N      -2.994949      2.450250      7.708872
  C      -2.182044      1.291593      8.154044
  C      -1.073011      0.990059      7.134605
  C      -2.351869      3.733813      8.097891
  C      -1.260053      4.141253      7.097831
  N      -1.845164      4.023026      5.765175
  H      -0.229997      1.684567      7.202777
  H      -0.673216     -0.020872      7.320800
  H      -1.773789      1.458020      9.165663
  H      -2.845853      0.417534      8.195416
  H      -0.973330      5.190397      7.283493
  H      -0.351685      3.538837      7.176781
  H      -3.128489      4.512414      8.081817
  H      -1.959268      3.672285      9.127550
  H      -6.367070      2.839232      7.328950
  H      -5.137543      4.049205      6.940348
  H      -4.672027      1.317920      8.267457
  H      -4.580778      2.890606      9.095065
  C      -4.592336     -4.979423      7.276649
  C      -5.684788     -3.931745      7.020690
  C      -5.628845     -3.384933      5.616876
  C      -6.299933     -4.026977      4.566096
  C      -6.207160     -3.558467      3.252717
  C      -5.426037     -2.446240      2.961308
  C      -4.754730     -1.780589      4.000361
  C      -3.914467     -0.613420      3.655898
  O      -3.659609     -0.271167      2.506880
  N      -3.390058      0.144952      4.745025
  C      -2.241991     -0.076531      5.331632
  C      -4.872099     -2.247972      5.318989
  C      -1.573320      7.740682      0.175783
  C      -1.487942      8.122325      1.660271
  C      -2.811713      7.965326      2.363836
  C      -3.766020      8.992761      2.343344
  C      -5.023874      8.825163      2.930011
  C      -5.352689      7.624702      3.551274
  C      -4.402587      6.591772      3.606205
  C      -4.796343      5.317447      4.261662
  O      -5.950696      4.919938      4.341117
  N      -3.755599      4.551679      4.832717
  C      -2.672033      5.013579      5.421722
  C      -3.143603      6.768912      3.008823
  C      -9.898439     -1.302473      7.545362
  C      -8.980848     -2.138785      6.642600
  C      -8.962006     -1.631072      5.223908
  C      -9.885499     -2.095403      4.278224
  C      -9.902880     -1.583324      2.977248
  C      -9.004103     -0.589402      2.605767
  C      -8.064717     -0.113262      3.535365
  C      -7.142520      0.976246      3.094426
  O      -7.260469      1.538359      2.009552
  N      -6.054357      1.298453      3.912590
  C      -6.159111      1.919180      5.025406
  C      -8.046655     -0.648650      4.830911
  H      -4.696041     -5.827796      6.585054
  H      -3.590214     -4.549380      7.127994
  H      -4.651777     -5.366458      8.303663
  H      -6.672599     -4.383948      7.197987
  H      -5.579056     -3.104826      7.741155
  H      -6.915486     -4.903174      4.783885
  H      -6.753527     -4.063957      2.455254
  H      -5.335684     -2.064544      1.944376
  H      -1.751373     -1.061201      5.403402
  H      -4.371102     -1.713343      6.128134
  H      -0.599340      7.868056     -0.316932
  H      -1.883532      6.692399      0.056742
  H      -2.307407      8.368755     -0.348913
  H      -0.731809      7.495460      2.158092
  H      -1.150057      9.166216      1.752054
  H      -3.520385      9.937867      1.853163
  H      -5.750489      9.638428      2.899509
  H      -6.332531      7.470137      4.003429
  H      -2.495821      6.068173      5.684682
  H      -2.420649      5.949773      3.001067
  H     -10.934727     -1.323366      7.178649
  H      -9.574461     -0.251348      7.565854
  H      -9.892713     -1.684560      8.576271
  H      -9.315803     -3.187858      6.652766
  H      -7.957853     -2.126536      7.048528
  H     -10.597468     -2.873802      4.563860
  H     -10.626055     -1.962374      2.253232
  H      -9.006383     -0.166009      1.601207
  H      -7.123363      2.229786      5.459094
  H      -7.297255     -0.314722      5.549632
  N      -3.042863      2.321869      3.418072
  H      -3.125855      1.847946      2.504873
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5658575-UqKm/orca E -6149.001679524180
  N      -1.709663      1.047541      5.814087
  Mo     -3.176761      2.451510      5.131759
  N      -5.060311      2.310032      5.805758
  C      -5.291172      2.997462      7.086304
  C      -4.386779      2.399182      8.159275
  N      -2.972419      2.463640      7.717785
  C      -2.161776      1.298906      8.151149
  C      -1.070557      0.988403      7.115082
  C      -2.316586      3.743046      8.098859
  C      -1.233713      4.142042      7.085822
  N      -1.836038      4.030591      5.760114
  H      -0.221068      1.676167      7.170877
  H      -0.676798     -0.026048      7.295000
  H      -1.736890      1.462985      9.156227
  H      -2.830899      0.429548      8.203403
  H      -0.936078      5.188525      7.269472
  H      -0.329693      3.531866      7.154221
  H      -3.088361      4.526424      8.090265
  H      -1.912798      3.680412      9.124135
  H      -6.345555      2.879588      7.378840
  H      -5.110727      4.079259      6.975870
  H      -4.650804      1.342547      8.294599
  H      -4.538397      2.913496      9.123173
  C      -4.586065     -4.965449      7.284145
  C      -5.680719     -3.919873      7.029263
  C      -5.631062     -3.376779      5.624067
  C      -6.297249     -4.027425      4.575457
  C      -6.215281     -3.557268      3.261987
  C      -5.449611     -2.434875      2.968314
  C      -4.781067     -1.763001      4.004850
  C      -3.957619     -0.585214      3.658520
  O      -3.719849     -0.234044      2.507856
  N      -3.419651      0.166858      4.744117
  C      -2.269919     -0.065896      5.323161
  C      -4.887693     -2.232339      5.323445
  C      -1.584574      7.703110      0.149044
  C      -1.472740      8.084555      1.631697
  C      -2.791337      7.954631      2.350025
  C      -3.731739      8.994561      2.326781
  C      -4.986528      8.850683      2.926200
  C      -5.326176      7.661696      3.563387
  C      -4.389621      6.617212      3.621552
  C      -4.792884      5.352720      4.290840
  O      -5.950277      4.967803      4.383123
  N      -3.753604      4.576426      4.851975
  C      -2.658560      5.028658      5.427000
  C      -3.133853      6.769761      3.010446
  C      -9.995912     -1.426634      7.496324
  C      -8.989657     -2.186173      6.621815
  C      -8.956225     -1.662703      5.209004
  C      -9.833771     -2.157708      4.235144
  C      -9.840073     -1.634487      2.938738
  C      -8.977844     -0.597100      2.599681
  C      -8.083216     -0.091128      3.557051
  C      -7.198272      1.041987      3.150078
  O      -7.350381      1.650989      2.095177
  N      -6.097895      1.344116      3.957526
  C      -6.176838      1.962818      5.072509
  C      -8.074889     -0.638038      4.848353
  H      -4.692988     -5.817124      6.597111
  H      -3.584479     -4.535845      7.128078
  H      -4.639617     -5.347743      8.313273
  H      -6.667361     -4.372683      7.211398
  H      -5.573314     -3.090821      7.746877
  H      -6.901467     -4.910928      4.794943
  H      -6.759032     -4.068558      2.466596
  H      -5.371491     -2.050412      1.950123
  H      -1.787756     -1.055050      5.390545
  H      -4.392016     -1.690958      6.131229
  H      -0.613901      7.808367     -0.355275
  H      -1.920227      6.662365      0.035733
  H      -2.310332      8.346929     -0.367492
  H      -0.724462      7.442476      2.121183
  H      -1.111842      9.120992      1.718104
  H      -3.477464      9.931154      1.824907
  H      -5.702150      9.673441      2.893356
  H      -6.304483      7.524812      4.024456
  H      -2.468396      6.082138      5.684542
  H      -2.423611      5.939857      3.004854
  H     -11.014212     -1.517091      7.091623
  H      -9.747588     -0.355856      7.535267
  H      -9.999988     -1.817503      8.523985
  H      -9.247691     -3.256844      6.612165
  H      -7.984820     -2.105189      7.063507
  H     -10.517289     -2.970024      4.494826
  H     -10.526231     -2.038494      2.192593
  H      -8.975077     -0.163237      1.599662
  H      -7.131132      2.283066      5.520904
  H      -7.359765     -0.278283      5.589130
  N      -3.077180      2.341667      3.424514
  H      -3.171728      1.848807      2.521959
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5658575-UqKm/orca E -6149.001635467012
  N      -1.724566      1.038884      5.795508
  Mo     -3.178207      2.441145      5.096600
  N      -5.063139      2.298890      5.765819
  C      -5.306862      2.992238      7.040399
  C      -4.412557      2.397803      8.124192
  N      -2.994616      2.458198      7.693819
  C      -2.191554      1.289609      8.129837
  C      -1.093761      0.979292      7.100532
  C      -2.335893      3.733883      8.080832
  C      -1.251456      4.136141      7.069505
  N      -1.853821      4.024691      5.745377
  H      -0.244224      1.666638      7.162141
  H      -0.701597     -0.035487      7.281952
  H      -1.774965      1.448007      9.139315
  H      -2.863493      0.421701      8.172584
  H      -0.956959      5.183166      7.255171
  H      -0.346145      3.527973      7.138769
  H      -3.105264      4.519518      8.076477
  H      -1.931266      3.666479      9.105503
  H      -6.364738      2.878098      7.321467
  H      -5.122932      4.073401      6.927591
  H      -4.679041      1.342067      8.262200
  H      -4.571950      2.916608      9.084345
  C      -4.589451     -4.953752      7.306468
  C      -5.682766     -3.910032      7.039135
  C      -5.632033     -3.383017      5.627757
  C      -6.288231     -4.051771      4.584524
  C      -6.203943     -3.596595      3.266031
  C      -5.443455     -2.473570      2.961243
  C      -4.783483     -1.784800      3.992004
  C      -3.960022     -0.609584      3.632984
  O      -3.720009     -0.271700      2.479301
  N      -3.424034      0.156096      4.709403
  C      -2.283375     -0.076433      5.303786
  C      -4.894918     -2.237016      5.316178
  C      -1.541644      7.735607      0.210631
  C      -1.459071      8.143904      1.688192
  C      -2.784871      7.992770      2.388811
  C      -3.729473      9.028695      2.383148
  C      -4.991605      8.862064      2.961739
  C      -5.334239      7.653781      3.559592
  C      -4.392143      6.613560      3.602519
  C      -4.793781      5.327697      4.233840
  O      -5.942616      4.909213      4.258322
  N      -3.757601      4.562963      4.810723
  C      -2.673156      5.020130      5.404619
  C      -3.129521      6.788514      3.013525
  C      -9.949484     -1.374257      7.532831
  C      -8.954936     -2.149374      6.658295
  C      -8.938879     -1.648680      5.237020
  C      -9.849786     -2.136441      4.289896
  C      -9.874745     -1.629680      2.987579
  C      -8.997510     -0.616278      2.614248
  C      -8.071130     -0.118357      3.544223
  C      -7.172131      0.991464      3.107396
  O      -7.313579      1.572497      2.035607
  N      -6.075177      1.310778      3.915734
  C      -6.170694      1.940659      5.023943
  C      -8.044063     -0.649414      4.842457
  H      -4.698249     -5.815166      6.631909
  H      -3.589249     -4.528179      7.143058
  H      -4.641453     -5.321438      8.341050
  H      -6.669570     -4.360181      7.227365
  H      -5.574021     -3.072645      7.746731
  H      -6.884644     -4.938761      4.811004
  H      -6.739371     -4.122018      2.474371
  H      -5.363502     -2.103588      1.938483
  H      -1.804130     -1.066083      5.384157
  H      -4.404799     -1.684434      6.119748
  H      -0.566522      7.856937     -0.281685
  H      -1.850734      6.685296      0.108926
  H      -2.276110      8.353585     -0.325255
  H      -0.702722      7.527333      2.198281
  H      -1.123451      9.189665      1.762464
  H      -3.472176      9.980184      1.911822
  H      -5.710747      9.682275      2.943293
  H      -6.318766      7.498339      4.001438
  H      -2.494288      6.073092      5.671657
  H      -2.413625      5.963364      2.998717
  H     -10.973346     -1.472230      7.144101
  H      -9.700541     -0.302965      7.547447
  H      -9.938964     -1.746481      8.567283
  H      -9.212997     -3.220056      6.671051
  H      -7.944392     -2.060596      7.085624
  H     -10.546142     -2.928582      4.576395
  H     -10.587346     -2.027533      2.263140
  H      -9.009672     -0.195636      1.608614
  H      -7.131929      2.251922      5.463107
  H      -7.302961     -0.294245      5.559627
  N      -3.072987      2.323383      3.389470
  H      -3.179615      1.829853      2.488371
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5658575-UqKm/orca E -6149.001744046021
  N      -1.718492      1.034683      5.802913
  Mo     -3.172541      2.441641      5.107622
  N      -5.055039      2.309143      5.784356
  C      -5.286820      3.006573      7.059318
  C      -4.388765      2.410766      8.139231
  N      -2.973113      2.464764      7.701223
  C      -2.171398      1.295875      8.138149
  C      -1.080499      0.976860      7.104413
  C      -2.308958      3.740330      8.079066
  C      -1.226863      4.133569      7.062130
  N      -1.834052      4.020315      5.739917
  H      -0.227959      1.661027      7.158681
  H      -0.691389     -0.038681      7.287542
  H      -1.747539      1.458016      9.144028
  H      -2.846206      0.430785      8.189613
  H      -0.925492      5.179597      7.242257
  H      -0.324685      3.520487      7.129414
  H      -3.076082      4.528304      8.072094
  H      -1.901987      3.676953      9.103006
  H      -6.343169      2.897562      7.348208
  H      -5.098324      4.086311      6.942597
  H      -4.659216      1.356634      8.281384
  H      -4.540821      2.932683      9.098945
  C      -4.588072     -4.959855      7.321410
  C      -5.680139     -3.912449      7.062951
  C      -5.636137     -3.381611      5.652613
  C      -6.300139     -4.046032      4.611350
  C      -6.220275     -3.589479      3.292964
  C      -5.458254     -2.467925      2.986617
  C      -4.792202     -1.781845      4.015321
  C      -3.970192     -0.606825      3.654037
  O      -3.746950     -0.260028      2.499051
  N      -3.426939      0.155700      4.728629
  C      -2.282856     -0.079559      5.316471
  C      -4.897768     -2.236753      5.339406
  C      -1.573420      7.755074      0.168889
  C      -1.468554      8.140244      1.651446
  C      -2.785840      7.991080      2.368755
  C      -3.727064      9.030239      2.375594
  C      -4.980501      8.868863      2.973658
  C      -5.317561      7.662761      3.579386
  C      -4.379408      6.618504      3.608536
  C      -4.779261      5.336294      4.247299
  O      -5.934352      4.939711      4.314797
  N      -3.743151      4.566057      4.818787
  C      -2.651237      5.019116      5.400965
  C      -3.125011      6.788838      2.999867
  C     -10.014468     -1.442350      7.484867
  C      -8.983323     -2.182947      6.621910
  C      -8.950484     -1.665981      5.206762
  C      -9.839585     -2.155331      4.240032
  C      -9.852640     -1.633289      2.943601
  C      -8.982713     -0.604989      2.595473
  C      -8.075933     -0.107001      3.544745
  C      -7.187269      1.020339      3.133434
  O      -7.338044      1.627350      2.077535
  N      -6.088582      1.324816      3.944174
  C      -6.170527      1.957632      5.050936
  C      -8.061786     -0.651566      4.837106
  H      -4.701964     -5.818018      6.643625
  H      -3.587303     -4.535187      7.155324
  H      -4.636579     -5.331846      8.354570
  H      -6.667267     -4.359897      7.255298
  H      -5.565381     -3.077055      7.772024
  H      -6.898906     -4.931152      4.839690
  H      -6.760534     -4.112653      2.502841
  H      -5.379378     -2.097263      1.964708
  H      -1.805662     -1.070445      5.393452
  H      -4.402198     -1.686679      6.141502
  H      -0.604292      7.876073     -0.335017
  H      -1.891572      6.708512      0.056045
  H      -2.309892      8.386398     -0.348639
  H      -0.710656      7.509965      2.142417
  H      -1.123158      9.182131      1.736675
  H      -3.474544      9.980065      1.898162
  H      -5.697246      9.691348      2.964164
  H      -6.294895      7.512292      4.038533
  H      -2.463364      6.072265      5.661220
  H      -2.412761      5.960836      2.972723
  H     -11.027130     -1.559266      7.073069
  H      -9.791967     -0.365610      7.519399
  H     -10.017280     -1.827584      8.514593
  H      -9.216460     -3.259446      6.615900
  H      -7.984235     -2.076368      7.071309
  H     -10.529679     -2.959611      4.507077
  H     -10.549136     -2.031628      2.203964
  H      -8.984712     -0.172484      1.594747
  H      -7.125943      2.282065      5.493875
  H      -7.338784     -0.293292      5.571182
  N      -3.073511      2.320010      3.400556
  H      -3.179148      1.815525      2.504934
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5658575-UqKm/orca E -6149.001762426193
  N      -1.720606      1.035129      5.794856
  Mo     -3.174508      2.451482      5.114916
  N      -5.049562      2.326214      5.812101
  C      -5.262493      3.024127      7.090404
  C      -4.355506      2.422971      8.159988
  N      -2.944736      2.471253      7.706936
  C      -2.143139      1.299345      8.134931
  C      -1.066708      0.974269      7.088249
  C      -2.271509      3.744441      8.076294
  C      -1.198295      4.132024      7.047878
  N      -1.819788      4.022118      5.731717
  H      -0.210329      1.654366      7.131676
  H      -0.680260     -0.043056      7.267115
  H      -1.705813      1.460354      9.135236
  H      -2.821212      0.437471      8.195623
  H      -0.889064      5.176277      7.224809
  H      -0.298849      3.513941      7.105480
  H      -3.035387      4.535616      8.075542
  H      -1.854711      3.680600      9.096273
  H      -6.315949      2.921299      7.391560
  H      -5.068580      4.102667      6.972090
  H      -4.629526      1.370082      8.304256
  H      -4.494641      2.944837      9.121730
  C      -4.576811     -4.943238      7.353157
  C      -5.670632     -3.897511      7.095473
  C      -5.634349     -3.373430      5.682512
  C      -6.298674     -4.046178      4.646792
  C      -6.228542     -3.593712      3.326426
  C      -5.476558     -2.467492      3.012649
  C      -4.809452     -1.773860      4.035538
  C      -3.999268     -0.593304      3.666861
  O      -3.796653     -0.240166      2.509410
  N      -3.442811      0.165728      4.735824
  C      -2.294701     -0.075908      5.313651
  C      -4.904752     -2.225492      5.361473
  C      -1.590336      7.733134      0.146185
  C      -1.470826      8.118389      1.627671
  C      -2.783635      7.981685      2.355539
  C      -3.719709      9.025669      2.359766
  C      -4.968908      8.876707      2.969552
  C      -5.307195      7.678373      3.589901
  C      -4.374479      6.629433      3.620860
  C      -4.775401      5.356019      4.275312
  O      -5.932256      4.967657      4.359115
  N      -3.737519      4.578631      4.834676
  C      -2.635459      5.025596      5.401878
  C      -3.123943      6.787384      3.000506
  C     -10.091470     -1.560038      7.420186
  C      -9.001489     -2.228879      6.570929
  C      -8.958539     -1.681617      5.167405
  C      -9.822978     -2.170707      4.178277
  C      -9.829037     -1.624102      2.892102
  C      -8.976367     -0.571041      2.576626
  C      -8.092996     -0.073972      3.548154
  C      -7.223143      1.079255      3.172668
  O      -7.393927      1.727991      2.144979
  N      -6.116484      1.358627      3.980907
  C      -6.177579      1.986918      5.090842
  C      -8.086027     -0.642053      4.830336
  H      -4.693826     -5.804540      6.679892
  H      -3.576699     -4.518543      7.179879
  H      -4.620002     -5.310626      8.388168
  H      -6.656859     -4.343813      7.295212
  H      -5.552585     -3.058431      7.799611
  H      -6.891661     -4.933507      4.881463
  H      -6.769564     -4.122925      2.540905
  H      -5.405301     -2.099516      1.989223
  H      -1.821799     -1.069216      5.385795
  H      -4.409872     -1.668910      6.159392
  H      -0.624160      7.844333     -0.365533
  H      -1.919077      6.689442      0.037204
  H      -2.324722      8.370749     -0.366438
  H      -0.714640      7.482098      2.113265
  H      -1.115921      9.157391      1.709047
  H      -3.466525      9.969535      1.871027
  H      -5.681431      9.702816      2.957710
  H      -6.281064      7.537826      4.059387
  H      -2.437684      6.078062      5.657633
  H      -2.416431      5.955232      2.975742
  H     -11.085564     -1.717742      6.977979
  H      -9.924612     -0.474735      7.484289
  H     -10.102604     -1.968311      8.440946
  H      -9.179528     -3.315427      6.536741
  H      -8.020963     -2.082326      7.049175
  H     -10.499132     -2.994710      4.419790
  H     -10.506018     -2.022789      2.134786
  H      -8.973386     -0.118994      1.584559
  H      -7.124042      2.321346      5.545578
  H      -7.382757     -0.281389      5.582340
  N      -3.094479      2.328982      3.406729
  H      -3.208601      1.809313      2.520107
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5658575-UqKm/orca E -6149.001777893296
  N      -1.726322      1.032224      5.794880
  Mo     -3.176119      2.449771      5.109820
  N      -5.053556      2.327912      5.802170
  C      -5.269672      3.027510      7.079064
  C      -4.365793      2.427038      8.151804
  N      -2.953738      2.472799      7.702202
  C      -2.154932      1.300069      8.133449
  C      -1.075999      0.972374      7.090184
  C      -2.279472      3.745166      8.072504
  C      -1.203041      4.130568      7.046610
  N      -1.821516      4.019982      5.729095
  H      -0.219024      1.651641      7.134877
  H      -0.690973     -0.045078      7.271439
  H      -1.720227      1.461311      9.134878
  H      -2.834567      0.439319      8.193012
  H      -0.893073      5.174634      7.223223
  H      -0.304468      3.511476      7.106895
  H      -3.042023      4.537604      8.069275
  H      -1.865522      3.681115      9.093594
  H      -6.323952      2.925417      7.377565
  H      -5.074977      4.105856      6.960093
  H      -4.641601      1.374746      8.297052
  H      -4.506433      2.950563      9.112427
  C      -4.574095     -4.947193      7.351377
  C      -5.668848     -3.901470      7.097579
  C      -5.636301     -3.376604      5.684764
  C      -6.302972     -4.049089      4.650400
  C      -6.234404     -3.597262      3.329746
  C      -5.482021     -2.471742      3.014306
  C      -4.813828     -1.777419      4.036043
  C      -4.004164     -0.596765      3.665982
  O      -3.799134     -0.246554      2.508102
  N      -3.447839      0.163523      4.734129
  C      -2.301057     -0.078791      5.314192
  C      -4.907357     -2.228604      5.362292
  C      -1.583985      7.742252      0.150776
  C      -1.465152      8.127599      1.632337
  C      -2.777798      7.988955      2.360089
  C      -3.712539      9.034112      2.370103
  C      -4.961747      8.883669      2.979503
  C      -5.301528      7.682490      3.593574
  C      -4.370140      6.632258      3.618665
  C      -4.772530      5.355783      4.266194
  O      -5.929655      4.967204      4.344787
  N      -3.736311      4.576883      4.826296
  C      -2.635701      5.023658      5.396814
  C      -3.119462      6.791765      2.998937
  C     -10.075247     -1.559904      7.430516
  C      -8.986930     -2.225708      6.576708
  C      -8.951826     -1.680194      5.172318
  C      -9.823347     -2.169064      4.189329
  C      -9.834702     -1.625772      2.901791
  C      -8.980265     -0.576331      2.578916
  C      -8.090402     -0.079252      3.544437
  C      -7.217595      1.069075      3.161035
  O      -7.384161      1.708367      2.126794
  N      -6.113213      1.354383      3.970640
  C      -6.178854      1.986075      5.078559
  C      -8.078427     -0.643825      4.828028
  H      -4.692396     -5.807700      6.677351
  H      -3.574701     -4.521557      7.176247
  H      -4.614744     -5.315817      8.386044
  H      -6.654501     -4.347909      7.299931
  H      -5.548724     -3.062812      7.801872
  H      -6.896273     -4.935795      4.886475
  H      -6.776714     -4.126501      2.545190
  H      -5.411767     -2.104666      1.990580
  H      -1.829417     -1.072525      5.388633
  H      -4.410951     -1.672157      6.159357
  H      -0.617684      7.853573     -0.360715
  H      -1.912418      6.698402      0.041835
  H      -2.318415      8.379681     -0.362095
  H      -0.707925      7.492428      2.117835
  H      -1.111913      9.167175      1.713709
  H      -3.458328      9.980137      1.886097
  H      -5.673113      9.710834      2.972200
  H      -6.275466      7.540819      4.062596
  H      -2.438696      6.076069      5.653298
  H      -2.413219      5.958642      2.970127
  H     -11.070712     -1.719882      6.992212
  H      -9.910950     -0.474191      7.494917
  H     -10.081346     -1.968742      8.451092
  H      -9.161537     -3.312910      6.544142
  H      -8.004681     -2.075632      7.050338
  H     -10.500549     -2.990454      4.436736
  H     -10.517079     -2.024172      2.149199
  H      -8.980753     -0.127348      1.585465
  H      -7.127290      2.318883      5.530305
  H      -7.369729     -0.283832      5.575205
  N      -3.093187      2.324576      3.401965
  H      -3.209865      1.805856      2.515089
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5658575-UqKm/orca E -6149.001791491102
  N      -1.732698      1.026291      5.794269
  Mo     -3.175740      2.446138      5.101189
  N      -5.055020      2.331598      5.791453
  C      -5.271875      3.035016      7.066034
  C      -4.371221      2.436069      8.142364
  N      -2.958223      2.477272      7.695357
  C      -2.162750      1.304131      8.131484
  C      -1.083762      0.970025      7.090403
  C      -2.281587      3.749024      8.063215
  C      -1.202772      4.129170      7.037783
  N      -1.819797      4.016007      5.719867
  H      -0.225263      1.647526      7.132982
  H      -0.700989     -0.047500      7.275949
  H      -1.728385      1.467842      9.132683
  H      -2.844693      0.445382      8.193660
  H      -0.890722      5.173079      7.211608
  H      -0.305590      3.508299      7.101002
  H      -3.042165      4.543377      8.056919
  H      -1.869265      3.686468      9.085065
  H      -6.326877      2.935783      7.363045
  H      -5.074992      4.112665      6.944685
  H      -4.649787      1.384929      8.290696
  H      -4.512174      2.963332      9.100878
  C      -4.573241     -4.950597      7.358941
  C      -5.668932     -3.905444      7.106370
  C      -5.639107     -3.382184      5.692827
  C      -6.307922     -4.055971      4.660671
  C      -6.240394     -3.606918      3.339034
  C      -5.487391     -2.482654      3.020411
  C      -4.818239     -1.786041      4.040060
  C      -4.009592     -0.605438      3.666547
  O      -3.807326     -0.257003      2.507630
  N      -3.453664      0.158718      4.731953
  C      -2.309707     -0.085021      5.316991
  C      -4.910560     -2.234680      5.367358
  C      -1.577169      7.755185      0.157980
  C      -1.460233      8.145503      1.638453
  C      -2.772009      8.002091      2.366743
  C      -3.705657      9.048030      2.387312
  C      -4.954171      8.893538      2.997141
  C      -5.294489      7.687257      3.600971
  C      -4.364049      6.635990      3.615399
  C      -4.766806      5.354059      4.252071
  O      -5.923789      4.963724      4.323562
  N      -3.731503      4.572839      4.810587
  C      -2.632241      5.019703      5.384287
  C      -3.114022      6.799649      2.995541
  C     -10.072598     -1.579020      7.432504
  C      -8.974204     -2.226121      6.577293
  C      -8.946356     -1.678820      5.173540
  C      -9.824666     -2.165872      4.195596
  C      -9.841455     -1.623328      2.907888
  C      -8.985740     -0.576454      2.579827
  C      -8.089715     -0.080943      3.540300
  C      -7.215068      1.064275      3.151592
  O      -7.379911      1.698155      2.113751
  N      -6.112170      1.353089      3.961850
  C      -6.179307      1.988222      5.067824
  C      -8.072237     -0.644977      4.824075
  H      -4.691835     -5.811342      6.685308
  H      -3.574446     -4.524031      7.182454
  H      -4.612349     -5.318926      8.393778
  H      -6.654080     -4.351822      7.311249
  H      -5.547349     -3.066132      7.809647
  H      -6.901929     -4.941474      4.899504
  H      -6.783831     -4.137331      2.556021
  H      -5.418083     -2.118024      1.995873
  H      -1.841045     -1.079744      5.396765
  H      -4.413400     -1.676872      6.162998
  H      -0.611020      7.867810     -0.353496
  H      -1.902250      6.709929      0.052074
  H      -2.313428      8.388817     -0.357044
  H      -0.699397      7.515754      2.125504
  H      -1.112647      9.187216      1.716632
  H      -3.451194      9.998013      1.911251
  H      -5.664577      9.721573      2.998209
  H      -6.268041      7.542632      4.069894
  H      -2.435653      6.072230      5.640504
  H      -2.408873      5.965849      2.959510
  H     -11.065278     -1.750315      6.992124
  H      -9.923349     -0.491480      7.503047
  H     -10.074663     -1.992996      8.451009
  H      -9.132581     -3.315847      6.542454
  H      -7.994481     -2.062941      7.051625
  H     -10.502813     -2.985194      4.447198
  H     -10.529116     -2.020005      2.159177
  H      -8.990287     -0.128311      1.586005
  H      -7.128376      2.321444      5.517866
  H      -7.358700     -0.286672      5.567402
  N      -3.091717      2.314046      3.393877
  H      -3.216807      1.792679      2.509513
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5658575-UqKm/orca E -6149.001797670152
  N      -1.734720      1.023199      5.793963
  Mo     -3.174708      2.444931      5.098331
  N      -5.054833      2.333755      5.787895
  C      -5.271091      3.038866      7.061629
  C      -4.371496      2.440312      8.139065
  N      -2.958197      2.479316      7.692779
  C      -2.164005      1.305929      8.130768
  C      -1.085698      0.968436      7.090066
  C      -2.280531      3.750917      8.059228
  C      -1.200550      4.128156      7.034080
  N      -1.816808      4.014116      5.715658
  H      -0.226382      1.645020      7.131036
  H      -0.703988     -0.049173      7.277424
  H      -1.728949      1.471028      9.131441
  H      -2.847054      0.448215      8.194990
  H      -0.887032      5.171848      7.206557
  H      -0.304296      3.506087      7.098629
  H      -3.040190      4.546109      8.050980
  H      -1.869249      3.689450      9.081554
  H      -6.326202      2.940840      7.358682
  H      -5.073272      4.116221      6.939075
  H      -4.651428      1.389709      8.288689
  H      -4.512278      2.969101      9.096782
  C      -4.573316     -4.950266      7.363084
  C      -5.669808     -3.906409      7.108507
  C      -5.639258     -3.384963      5.694349
  C      -6.306722     -4.060453      4.662433
  C      -6.238737     -3.612693      3.340391
  C      -5.486739     -2.487943      3.021163
  C      -4.818932     -1.789653      4.040561
  C      -4.011970     -0.607983      3.666733
  O      -3.809938     -0.260100      2.507557
  N      -3.456208      0.156662      4.731785
  C      -2.312802     -0.087893      5.317820
  C      -4.911601     -2.237150      5.368195
  C      -1.578346      7.760224      0.157882
  C      -1.459380      8.151412      1.637939
  C      -2.769731      8.007040      2.368550
  C      -3.702311      9.053823      2.394140
  C      -4.949694      8.898854      3.006155
  C      -5.289925      7.691202      3.607305
  C      -4.360490      6.639007      3.616742
  C      -4.763505      5.355655      4.250365
  O      -5.920859      4.966577      4.322624
  N      -3.728112      4.571533      4.805066
  C      -2.629133      5.017933      5.379826
  C      -3.111656      6.803136      2.994516
  C     -10.083120     -1.589898      7.430182
  C      -8.973557     -2.223776      6.579768
  C      -8.945707     -1.677482      5.175592
  C      -9.824888     -2.165251      4.198699
  C      -9.841462     -1.624851      2.910149
  C      -8.984949     -0.579122      2.580267
  C      -8.088542     -0.082525      3.539736
  C      -7.214196      1.062539      3.149339
  O      -7.378795      1.694474      2.110263
  N      -6.112028      1.353161      3.959690
  C      -6.179093      1.989523      5.064976
  C      -8.070922     -0.644868      4.824317
  H      -4.690265     -5.811516      6.689818
  H      -3.574664     -4.522740      7.187458
  H      -4.613316     -5.317959      8.398111
  H      -6.654743     -4.353333      7.313160
  H      -5.549512     -3.066176      7.810883
  H      -6.900276     -4.946030      4.902061
  H      -6.781071     -4.144379      2.557513
  H      -5.417238     -2.124008      1.996253
  H      -1.845295     -1.083052      5.398938
  H      -4.416005     -1.677857      6.163770
  H      -0.612816      7.872116     -0.354935
  H      -1.903844      6.714994      0.053045
  H      -2.315030      8.393781     -0.356594
  H      -0.696936      7.522792      2.123913
  H      -1.112959      9.193576      1.715023
  H      -3.447975     10.004923      1.920262
  H      -5.659246      9.727597      3.011023
  H      -6.262686      7.546296      4.077764
  H      -2.432505      6.070402      5.636186
  H      -2.407772      5.968458      2.954711
  H     -11.071683     -1.771130      6.984521
  H      -9.946038     -0.500969      7.503720
  H     -10.086010     -2.005688      8.447963
  H      -9.118895     -3.315382      6.544635
  H      -7.997744     -2.049219      7.058083
  H     -10.503742     -2.983532      4.451832
  H     -10.529739     -2.021950      2.162239
  H      -8.989495     -0.132379      1.585809
  H      -7.128197      2.322733      5.514917
  H      -7.357522     -0.285789      5.567382
  N      -3.091202      2.309899      3.391292
  H      -3.221776      1.786654      2.508680
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5658575-UqKm/orca E -6149.001801352407
  N      -1.732530      1.021458      5.795194
  Mo     -3.171912      2.442954      5.097527
  N      -5.052661      2.332122      5.786148
  C      -5.269022      3.037414      7.059749
  C      -4.369630      2.439552      8.137632
  N      -2.956185      2.479483      7.692158
  C      -2.160947      1.307414      8.131681
  C      -1.082979      0.968845      7.090999
  C      -2.279981      3.752177      8.057425
  C      -1.199437      4.128651      7.032734
  N      -1.814201      4.013071      5.713488
  H      -0.223920      1.645846      7.130619
  H      -0.700701     -0.048304      7.279736
  H      -1.725293      1.474615      9.131744
  H      -2.843364      0.449373      8.197964
  H      -0.886253      5.172611      7.204238
  H      -0.303017      3.506971      7.098694
  H      -3.040292      4.546749      8.047568
  H      -1.869486      3.692399      9.080199
  H      -6.324122      2.939045      7.356791
  H      -5.071761      4.114810      6.936990
  H      -4.648867      1.388771      8.287281
  H      -4.511398      2.968476      9.095149
  C      -4.576692     -4.949555      7.366835
  C      -5.673361     -3.906745      7.108685
  C      -5.639785     -3.386405      5.694247
  C      -6.306384     -4.061765      4.661672
  C      -6.236298     -3.614558      3.339553
  C      -5.483067     -2.490485      3.020986
  C      -4.815732     -1.792587      4.040980
  C      -4.007744     -0.611421      3.667715
  O      -3.805703     -0.263299      2.508615
  N      -3.453506      0.153669      4.733245
  C      -2.310006     -0.090072      5.319777
  C      -4.910370     -2.239579      5.368601
  C      -1.579431      7.760716      0.159357
  C      -1.462179      8.154970      1.638694
  C      -2.772353      8.008487      2.369205
  C      -3.706279      9.054069      2.395256
  C      -4.953380      8.897294      3.007413
  C      -5.291911      7.689101      3.608358
  C      -4.361159      6.637966      3.617214
  C      -4.762802      5.354261      4.250867
  O      -5.920002      4.965161      4.325578
  N      -3.725888      4.568829      4.801401
  C      -2.627938      5.015909      5.377477
  C      -3.112708      6.803956      2.994759
  C     -10.086460     -1.592839      7.429262
  C      -8.973555     -2.220860      6.579139
  C      -8.946652     -1.673638      5.175249
  C      -9.828826     -2.158860      4.199690
  C      -9.845948     -1.618248      2.911261
  C      -8.987213     -0.574704      2.580214
  C      -8.088208     -0.080256      3.538350
  C      -7.212164      1.063208      3.146674
  O      -7.375729      1.693930      2.106629
  N      -6.110045      1.353975      3.956690
  C      -6.176936      1.987793      5.063485
  C      -8.070058     -0.642957      4.822849
  H      -4.690961     -5.811110      6.693477
  H      -3.577854     -4.521468      7.193939
  H      -4.619376     -5.316932      8.401868
  H      -6.658459     -4.354310      7.311118
  H      -5.555606     -3.065953      7.810818
  H      -6.900901     -4.946792      4.901003
  H      -6.778002     -4.146092      2.556106
  H      -5.411876     -2.126494      1.996189
  H      -1.842243     -1.085030      5.401836
  H      -4.415392     -1.680372      6.164615
  H      -0.613784      7.873561     -0.353019
  H      -1.902575      6.714603      0.056183
  H      -2.317090      8.391717     -0.356804
  H      -0.698112      7.529419      2.126061
  H      -1.118801      9.198251      1.714057
  H      -3.453243     10.005649      1.921665
  H      -5.664029      9.725095      3.012563
  H      -6.264394      7.542929      4.078966
  H      -2.432632      6.068486      5.634450
  H      -2.407789      5.970165      2.954646
  H     -11.073860     -1.776738      6.982113
  H      -9.953578     -0.503599      7.505532
  H     -10.089170     -2.010946      8.446097
  H      -9.114245     -3.313087      6.543107
  H      -7.998813     -2.042589      7.058312
  H     -10.509402     -2.975454      4.453654
  H     -10.536330     -2.013469      2.164282
  H      -8.992019     -0.127785      1.585827
  H      -7.125960      2.320214      5.514200
  H      -7.354731     -0.286144      5.565136
  N      -3.087638      2.305981      3.390786
  H      -3.222286      1.782324      2.508931
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5658575-UqKm/orca E -6149.001803481226
  N      -1.732838      1.020776      5.794476
  Mo     -3.170967      2.443884      5.097869
  N      -5.050718      2.333924      5.788778
  C      -5.264991      3.039491      7.062571
  C      -4.365036      2.440967      8.139568
  N      -2.952031      2.480254      7.692870
  C      -2.156679      1.307975      8.131571
  C      -1.080906      0.967932      7.088948
  C      -2.275089      3.752854      8.056768
  C      -1.195420      4.128170      7.030844
  N      -1.811299      4.012863      5.711998
  H      -0.221192      1.644246      7.126724
  H      -0.699236     -0.049507      7.277318
  H      -1.718886      1.475585      9.130623
  H      -2.839383      0.450330      8.199858
  H      -0.881157      5.171916      7.201764
  H      -0.299446      3.505772      7.096185
  H      -3.035162      4.547649      8.047184
  H      -1.863528      3.693778      9.079168
  H      -6.319887      2.942176      7.360707
  H      -5.066886      4.116693      6.939393
  H      -4.644570      1.390265      8.289250
  H      -4.506083      2.969768      9.097282
  C      -4.580255     -4.946319      7.370313
  C      -5.676700     -3.903975      7.109567
  C      -5.641682     -3.385078      5.694680
  C      -6.306314     -4.061944      4.661831
  C      -6.235903     -3.615142      3.339586
  C      -5.483941     -2.490213      3.021140
  C      -4.817776     -1.791445      4.041279
  C      -4.010459     -0.609868      3.668105
  O      -3.809783     -0.260937      2.508925
  N      -3.455130      0.154272      4.733573
  C      -2.311178     -0.090202      5.319071
  C      -4.912971     -2.237818      5.369027
  C      -1.583677      7.760319      0.155766
  C      -1.463042      8.154193      1.634883
  C      -2.771987      8.008977      2.367895
  C      -3.704977      9.055321      2.395443
  C      -4.951199      8.899580      3.009727
  C      -5.289577      7.691773      3.611430
  C      -4.359635      6.639868      3.618959
  C      -4.761273      5.356703      4.253805
  O      -5.918810      4.969623      4.333171
  N      -3.723576      4.570013      4.801256
  C      -2.625185      5.016100      5.377087
  C      -3.112234      6.804773      2.994201
  C     -10.101965     -1.606137      7.420983
  C      -8.976051     -2.221923      6.579264
  C      -8.945778     -1.675315      5.175150
  C      -9.823231     -2.163769      4.196808
  C      -9.838197     -1.623447      2.908309
  C      -8.982141     -0.576841      2.579756
  C      -8.087731     -0.079344      3.540508
  C      -7.214959      1.067574      3.151597
  O      -7.381381      1.701585      2.113995
  N      -6.111705      1.357399      3.960234
  C      -6.176391      1.990360      5.067528
  C      -8.071566     -0.641874      4.825246
  H      -4.693762     -5.808782      6.697964
  H      -3.581293     -4.518713      7.197916
  H      -4.623976     -5.312339      8.405785
  H      -6.661950     -4.351527      7.311259
  H      -5.560096     -3.062361      7.810880
  H      -6.899460     -4.947951      4.900973
  H      -6.776279     -4.147788      2.555974
  H      -5.412608     -2.126184      1.996298
  H      -1.844036     -1.085496      5.400559
  H      -4.419090     -1.677777      6.165143
  H      -0.618914      7.872635     -0.358409
  H      -1.907803      6.714503      0.052873
  H      -2.321865      8.391983     -0.358808
  H      -0.698780      7.527671      2.120688
  H      -1.118286      9.197034      1.709915
  H      -3.451900     10.006658      1.921383
  H      -5.661240      9.727891      3.015972
  H      -6.261395      7.546328      4.083638
  H      -2.429331      6.068423      5.634734
  H      -2.408020      5.970481      2.952684
  H     -11.084069     -1.802030      6.967313
  H      -9.982226     -0.515364      7.496735
  H     -10.106810     -2.023247      8.438221
  H      -9.103624     -3.315795      6.543610
  H      -8.006644     -2.031626      7.064644
  H     -10.501849     -2.982641      4.448674
  H     -10.524793     -2.021273      2.159226
  H      -8.985620     -0.129829      1.585403
  H      -7.124516      2.322853      5.520061
  H      -7.359769     -0.282435      5.569663
  N      -3.088726      2.305837      3.391156
  H      -3.227103      1.779256      2.511458
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5658575-UqKm/orca E -6149.001804200962
  N      -1.731256      1.021401      5.795213
  Mo     -3.170212      2.443606      5.098941
  N      -5.049922      2.331685      5.789099
  C      -5.265156      3.036512      7.063202
  C      -4.365009      2.438120      8.140111
  N      -2.951937      2.479040      7.693883
  C      -2.155499      1.307394      8.132295
  C      -1.079305      0.968541      7.089627
  C      -2.276339      3.752151      8.058316
  C      -1.196680      4.128681      7.032878
  N      -1.811764      4.013235      5.713643
  H      -0.220118      1.645500      7.127807
  H      -0.696918     -0.048687      7.277647
  H      -1.717954      1.475136      9.131433
  H      -2.837384      0.449071      8.200292
  H      -0.883333      5.172632      7.204228
  H      -0.300215      3.507011      7.098394
  H      -3.037169      4.546232      8.048765
  H      -1.864953      3.693272      9.080805
  H      -6.320094      2.938329      7.360895
  H      -5.067821      4.113915      6.940564
  H      -4.643529      1.387030      8.288938
  H      -4.507051      2.966037      9.098178
  C      -4.579865     -4.946231      7.368988
  C      -5.676525     -3.904222      7.107987
  C      -5.641073     -3.384750      5.693314
  C      -6.305883     -4.060857      4.660099
  C      -6.235133     -3.613531      3.338034
  C      -5.482635     -2.488818      3.020150
  C      -4.816251     -1.790819      4.040684
  C      -4.007882     -0.609776      3.668123
  O      -3.805969     -0.260911      2.509133
  N      -3.453045      0.153757      4.734277
  C      -2.308541     -0.089792      5.319090
  C      -4.911759     -2.237688      5.368235
  C      -1.582995      7.758581      0.156836
  C      -1.464488      8.152906      1.635993
  C      -2.774274      8.007119      2.367435
  C      -3.708611      9.052338      2.392143
  C      -4.955435      8.895954      3.005070
  C      -5.293019      7.688675      3.608213
  C      -4.361807      6.637859      3.618500
  C      -4.762637      5.355463      4.255267
  O      -5.919924      4.967894      4.335795
  N      -3.724162      4.569489      4.802275
  C      -2.626423      5.015948      5.378833
  C      -3.113828      6.803423      2.995111
  C     -10.098486     -1.599765      7.422842
  C      -8.976381     -2.219862      6.579069
  C      -8.946849     -1.673107      5.174979
  C      -9.826389     -2.159487      4.197488
  C      -9.841657     -1.618799      2.909146
  C      -8.983812     -0.573895      2.579886
  C      -8.087304     -0.078489      3.539787
  C      -7.212758      1.066747      3.150146
  O      -7.378083      1.700063      2.111926
  N      -6.109463      1.356555      3.958933
  C      -6.175104      1.987936      5.067103
  C      -8.070842     -0.641436      4.824333
  H      -4.692728     -5.808563      6.696350
  H      -3.580988     -4.518263      7.197220
  H      -4.623959     -5.312569      8.404332
  H      -6.661712     -4.352213      7.309011
  H      -5.560659     -3.062765      7.809622
  H      -6.899401     -4.946752      4.898717
  H      -6.775700     -4.145629      2.554184
  H      -5.410835     -2.124299      1.995569
  H      -1.840427     -1.084693      5.399781
  H      -4.417411     -1.678339      6.164549
  H      -0.617806      7.872118     -0.356283
  H      -1.905584      6.712297      0.053760
  H      -2.321481      8.389124     -0.358709
  H      -0.700494      7.526964      2.122987
  H      -1.120408      9.195965      1.711243
  H      -3.456075     10.003255      1.916950
  H      -5.666550      9.723360      3.009143
  H      -6.265155      7.542703      4.079610
  H      -2.431576      6.068247      5.637414
  H      -2.408300      5.970136      2.955606
  H     -11.082235     -1.792841      6.971539
  H      -9.975027     -0.509315      7.497271
  H     -10.102429     -2.016034      8.440423
  H      -9.107961     -3.313243      6.543842
  H      -8.005347     -2.032805      7.062495
  H     -10.506369     -2.977081      4.449822
  H     -10.529892     -2.015061      2.160736
  H      -8.987410     -0.126577      1.585672
  H      -7.123575      2.319325      5.519726
  H      -7.357323     -0.283751      5.567944
  N      -3.086907      2.306069      3.392264
  H      -3.224947      1.779918      2.512233
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5658575-UqKm/orca E -6149.001804933413
  N      -1.731055      1.021954      5.796265
  Mo     -3.169961      2.443699      5.099812
  N      -5.049540      2.330862      5.789534
  C      -5.265555      3.035434      7.063693
  C      -4.365489      2.437173      8.140769
  N      -2.952337      2.478878      7.694965
  C      -2.155407      1.307564      8.133347
  C      -1.079056      0.969083      7.090628
  C      -2.277395      3.752220      8.059607
  C      -1.197695      4.129234      7.034399
  N      -1.812310      4.013598      5.715005
  H      -0.220050      1.646266      7.128930
  H      -0.696484     -0.048080      7.278553
  H      -1.717951      1.475472      9.132492
  H      -2.836898      0.448924      8.201314
  H      -0.884785      5.173290      7.205899
  H      -0.301021      3.507881      7.100149
  H      -3.038577      4.545974      8.050032
  H      -1.866065      3.693536      9.082132
  H      -6.320602      2.936987      7.360889
  H      -5.068499      4.112910      6.941261
  H      -4.643528      1.385896      8.289177
  H      -4.508174      2.964670      9.098974
  C      -4.580183     -4.947312      7.366502
  C      -5.676904     -3.905180      7.106384
  C      -5.641644     -3.384548      5.692104
  C      -6.307175     -4.059478      4.658596
  C      -6.236361     -3.611376      3.336784
  C      -5.483081     -2.487029      3.019445
  C      -4.816133     -1.790056      4.040325
  C      -4.006761     -0.609519      3.668319
  O      -3.803874     -0.260658      2.509469
  N      -3.452298      0.153644      4.734872
  C      -2.307692     -0.089365      5.319641
  C      -4.911705     -2.237676      5.367640
  C      -1.581806      7.757590      0.157295
  C      -1.464721      8.152141      1.636506
  C      -2.775155      8.006114      2.366762
  C      -3.710327      9.050615      2.389489
  C      -4.957648      8.893826      3.001316
  C      -5.294851      7.686867      3.605275
  C      -4.362848      6.636747      3.617490
  C      -4.763236      5.354769      4.255322
  O      -5.920341      4.966788      4.336367
  N      -3.724370      4.569534      4.802611
  C      -2.627114      5.016092      5.379866
  C      -3.114377      6.802709      2.995226
  C     -10.094661     -1.597566      7.424685
  C      -8.974694     -2.219518      6.579278
  C      -8.946386     -1.672348      5.175338
  C      -9.827050     -2.157788      4.198421
  C      -9.843077     -1.616588      2.910301
  C      -8.984796     -0.572175      2.580649
  C      -8.087103     -0.077783      3.539985
  C      -7.211604      1.066440      3.149768
  O      -7.376349      1.699203      2.111121
  N      -6.108111      1.356230      3.958485
  C      -6.174393      1.986988      5.066987
  C      -8.069991     -0.641157      4.824319
  H      -4.693060     -5.809224      6.693336
  H      -3.581439     -4.519079      7.194935
  H      -4.624094     -5.314339      8.401610
  H      -6.662066     -4.353344      7.307160
  H      -5.560977     -3.064225      7.808624
  H      -6.901271     -4.945140      4.896644
  H      -6.777490     -4.142640      2.552753
  H      -5.411147     -2.121977      1.995094
  H      -1.839062     -1.084061      5.399899
  H      -4.416705     -1.679189      6.164149
  H      -0.616395      7.872169     -0.355172
  H      -1.903247      6.710965      0.054079
  H      -2.320617      8.387311     -0.358806
  H      -0.701097      7.526398      2.124342
  H      -1.120845      9.195258      1.711946
  H      -3.458031     10.001256      1.913609
  H      -5.669439      9.720657      3.003895
  H      -6.267271      7.540497      4.075970
  H      -2.432803      6.068362      5.639050
  H      -2.407985      5.970100      2.957053
  H     -11.079418     -1.789974      6.975308
  H      -9.969878     -0.507172      7.497775
  H     -10.097191     -2.012961      8.442619
  H      -9.107954     -3.312673      6.544208
  H      -8.002699     -2.033827      7.061263
  H     -10.507337     -2.975049      4.450980
  H     -10.532215     -2.012153      2.162355
  H      -8.988891     -0.124546      1.586585
  H      -7.123100      2.317768      5.519570
  H      -7.355359     -0.284311      5.567266
  N      -3.085635      2.306047      3.393194
  H      -3.223614      1.779495      2.513340
