103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.381122951851
  N      -2.970161     -3.716901      2.299306
  C      -2.543984     -4.803687      1.425481
  C      -2.254791     -6.071003      2.227087
  N      -3.382312     -6.402248      3.100003
  C      -4.510762     -7.009947      2.396755
  C      -5.848975     -6.772472      3.148599
  N      -5.913406     -5.491839      3.845796
  Mo     -4.130175     -4.545763      3.866857
  N      -2.949069     -5.014569      5.375636
  C      -2.277310     -6.309173      5.318872
  C      -2.932791     -7.205197      4.245426
  H      -2.345075     -6.833442      6.281672
  H      -1.208729     -6.179941      5.095045
  H      -3.825979     -7.674078      4.671048
  H      -2.239545     -7.997811      3.940173
  H      -6.665596     -6.852304      2.402541
  H      -6.009892     -7.604548      3.858351
  H      -4.588037     -6.533917      1.413868
  H      -4.372569     -8.086777      2.238955
  H      -1.636353     -4.534427      0.869939
  H      -3.329656     -5.015910      0.673908
  H      -1.405542     -5.851163      2.876266
  H      -1.999153     -6.896496      1.553179
  C      -3.866879     -1.014554     -0.275229
  C      -3.369251     -2.377627      0.191548
  C      -3.832788     -2.759215      1.621179
  C      -5.237750     -3.384932      1.754078
  N      -6.281372     -2.562450      2.307301
  C      -6.627337     -1.304808      1.709714
  C      -7.351806     -1.217432      0.515956
  C      -7.732122      0.011172     -0.001316
  C      -7.410159      1.181342      0.657644
  C      -6.696629      1.116540      1.853065
  S      -6.252993      2.550830      2.756138
  C      -6.301359     -0.118150      2.372482
  C      -9.303732     -5.838955      5.756322
  C      -8.103939     -6.303040      4.930284
  C      -7.103321     -5.183816      4.663559
  C      -7.629610     -3.870779      4.172709
  N      -7.415803     -2.939748      5.285525
  C      -7.602941     -1.564275      5.241982
  C      -8.536277     -0.925080      4.410649
  C      -8.811769      0.425232      4.546236
  C      -8.157344      1.195056      5.486243
  C      -7.192245      0.596773      6.297164
  S      -6.284893      1.506757      7.489745
  C      -6.915602     -0.760852      6.169186
  C      -1.269135     -5.354239      8.442045
  C      -1.408985     -4.308800      7.335835
  C      -2.756717     -4.194896      6.560923
  C      -3.984552     -4.345333      7.516721
  N      -5.233030     -4.499513      6.754143
  C      -6.028304     -5.573254      7.308624
  C      -5.692831     -6.914187      7.111127
  C      -6.359918     -7.914488      7.809032
  C      -7.362058     -7.605565      8.705828
  C      -7.731378     -6.271448      8.900080
  S      -8.988290     -5.784155      9.998837
  C      -7.059694     -5.270049      8.192114
  H      -3.470850     -0.798756     -1.262073
  H      -3.542889     -0.235077      0.413061
  H      -4.954903     -0.996556     -0.320630
  H      -2.277566     -2.367168      0.195361
  H      -3.698291     -3.141185     -0.517823
  H      -3.778153     -1.812525      2.197737
  H      -5.577851     -3.855555      0.791437
  H      -5.003819     -4.193489      2.489458
  H      -5.862654     -2.305945      3.193095
  H      -7.603199     -2.144379      0.014680
  H      -8.283219      0.048482     -0.927581
  H      -7.708398      2.134098      0.248604
  H      -6.763102      3.454718      1.912821
  H      -5.726852     -0.136365      3.307347
  H      -9.923133     -6.684916      6.031900
  H      -9.911658     -5.137757      5.188433
  H      -8.966682     -5.328647      6.657265
  H      -8.486590     -6.721469      3.989331
  H      -7.607798     -7.121187      5.464031
  H      -6.624238     -4.856555      5.570694
  H      -8.642179     -3.822994      3.716604
  H      -6.802775     -3.644815      3.505013
  H      -6.491596     -3.290242      5.442333
  H      -9.055867     -1.526490      3.668765
  H      -9.556685      0.873943      3.909150
  H      -8.392701      2.241241      5.593585
  H      -6.950321      2.660776      7.388358
  H      -6.179682     -1.232966      6.831533
  H      -1.476652     -6.361363      8.094545
  H      -1.924162     -5.125237      9.277529
  H      -0.244331     -5.323743      8.800702
  H      -1.238623     -3.327138      7.782129
  H      -0.630413     -4.454021      6.583833
  H      -2.782251     -3.140908      6.192758
  H      -3.830768     -5.216818      8.161277
  H      -4.047416     -3.458970      8.169253
  H      -4.756372     -4.823654      5.876729
  H      -4.881639     -7.151654      6.428195
  H      -6.073534     -8.944148      7.663437
  H      -7.847192     -8.391766      9.263341
  H      -9.244604     -6.988894     10.522958
  H      -7.305478     -4.220544      8.343146
  N      -5.022436     -3.071565      5.118860
  H      -5.449297     -2.366304      5.717823
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.445099005045
  N      -2.919096     -3.773889      2.245803
  C      -2.527232     -4.889693      1.382537
  C      -2.264703     -6.147247      2.204145
  N      -3.397573     -6.435883      3.098622
  C      -4.547688     -7.032990      2.416360
  C      -5.868279     -6.758550      3.170922
  N      -5.909094     -5.465612      3.849029
  Mo     -4.084944     -4.540379      3.838206
  N      -2.902745     -5.015005      5.348760
  C      -2.266757     -6.331292      5.309996
  C      -2.956428     -7.229484      4.261373
  H      -2.339529     -6.836504      6.283578
  H      -1.195681     -6.234447      5.074676
  H      -3.858377     -7.666971      4.704672
  H      -2.286775     -8.047043      3.963763
  H      -6.687486     -6.836595      2.428814
  H      -6.042651     -7.574748      3.896345
  H      -4.620289     -6.573773      1.424031
  H      -4.432336     -8.116716      2.278414
  H      -1.615058     -4.655748      0.814717
  H      -3.322642     -5.094260      0.639313
  H      -1.402688     -5.937442      2.843789
  H      -2.035506     -6.994166      1.544408
  C      -3.735320     -1.092664     -0.381097
  C      -3.281644     -2.462997      0.114168
  C      -3.756798     -2.800022      1.549836
  C      -5.184855     -3.375573      1.692504
  N      -6.221226     -2.513017      2.220972
  C      -6.582596     -1.260371      1.634220
  C      -7.275597     -1.176378      0.420465
  C      -7.674240      0.053779     -0.085949
  C      -7.405261      1.223662      0.607399
  C      -6.729658      1.154338      1.828485
  S      -6.361537      2.581331      2.781926
  C      -6.316254     -0.082318      2.333536
  C      -9.366568     -5.975143      5.648562
  C      -8.117768     -6.358861      4.845238
  C      -7.152791     -5.194146      4.644178
  C      -7.714584     -3.875661      4.167044
  N      -7.581104     -2.979808      5.330210
  C      -7.758550     -1.606447      5.354160
  C      -8.589647     -0.886616      4.483849
  C      -8.848121      0.459479      4.695612
  C      -8.270661      1.141802      5.754107
  C      -7.400025      0.457744      6.609705
  S      -6.590764      1.250436      7.951615
  C      -7.143121     -0.895571      6.405014
  C      -1.194164     -5.327390      8.405042
  C      -1.323992     -4.298952      7.279674
  C      -2.677538     -4.170551      6.522524
  C      -3.891206     -4.277343      7.507077
  N      -5.152455     -4.431201      6.766803
  C      -5.971154     -5.473175      7.339233
  C      -5.670827     -6.827898      7.164430
  C      -6.376984     -7.796568      7.872409
  C      -7.385793     -7.438854      8.750892
  C      -7.714465     -6.087134      8.913935
  S      -8.979884     -5.526642      9.968543
  C      -7.000255     -5.120331      8.203751
  H      -3.330952     -0.908173     -1.375242
  H      -3.385886     -0.307193      0.292639
  H      -4.824326     -1.037271     -0.429426
  H      -2.187577     -2.488441      0.118775
  H      -3.635105     -3.232023     -0.581524
  H      -3.674157     -1.847039      2.109632
  H      -5.542467     -3.852064      0.746628
  H      -4.973607     -4.183712      2.438996
  H      -5.824051     -2.239636      3.120814
  H      -7.485966     -2.101842     -0.107748
  H      -8.199279      0.094756     -1.031593
  H      -7.719336      2.179018      0.206623
  H      -6.870888      3.489535      1.937192
  H      -5.788558     -0.115728      3.290991
  H      -9.957211     -6.860938      5.872647
  H      -9.990021     -5.279260      5.084403
  H      -9.088036     -5.484215      6.588032
  H      -8.447350     -6.760877      3.875974
  H      -7.606993     -7.173899      5.371892
  H      -6.723049     -4.879127      5.580459
  H      -8.701428     -3.827739      3.668349
  H      -6.875124     -3.614550      3.541123
  H      -6.653455     -3.312195      5.558184
  H      -9.045471     -1.416247      3.649661
  H      -9.518140      0.977892      4.022501
  H      -8.493010      2.187530      5.916965
  H      -7.220468      2.430145      7.870699
  H      -6.483565     -1.440467      7.098911
  H      -1.429739     -6.339797      8.079622
  H      -1.834989     -5.068631      9.247411
  H      -0.161613     -5.316033      8.753932
  H      -1.125362     -3.310309      7.704067
  H      -0.556268     -4.476327      6.519633
  H      -2.685580     -3.129650      6.131903
  H      -3.740489     -5.139526      8.167140
  H      -3.931368     -3.374837      8.141674
  H      -4.698345     -4.774304      5.884155
  H      -4.860300     -7.101992      6.492528
  H      -6.121177     -8.841072      7.746983
  H      -7.908852     -8.201023      9.314627
  H      -9.292906     -6.712498     10.512796
  H      -7.219182     -4.060298      8.330278
  N      -4.882557     -3.009528      5.002525
  H      -5.256323     -2.252974      5.573067
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.493875232157
  N      -2.927459     -3.771937      2.243340
  C      -2.527738     -4.892256      1.376508
  C      -2.268168     -6.145258      2.201043
  N      -3.411873     -6.435052      3.097767
  C      -4.567428     -7.040304      2.412325
  C      -5.883423     -6.773294      3.170040
  N      -5.920747     -5.475628      3.845396
  Mo     -4.099683     -4.530080      3.829723
  N      -2.921255     -5.009004      5.347692
  C      -2.285835     -6.328921      5.313175
  C      -2.973367     -7.228239      4.269692
  H      -2.361685     -6.832687      6.288511
  H      -1.212171     -6.231873      5.081695
  H      -3.877849     -7.664715      4.712386
  H      -2.303816     -8.048617      3.972909
  H      -6.704721     -6.857102      2.432811
  H      -6.051496     -7.587937      3.898649
  H      -4.638475     -6.584803      1.416660
  H      -4.445218     -8.125598      2.278343
  H      -1.609145     -4.660783      0.813749
  H      -3.315836     -5.097217      0.626239
  H      -1.407566     -5.934996      2.847456
  H      -2.034403     -6.997097      1.545727
  C      -3.691527     -1.079231     -0.391449
  C      -3.254914     -2.456297      0.107167
  C      -3.751748     -2.787195      1.534094
  C      -5.191754     -3.343873      1.653191
  N      -6.229688     -2.466069      2.159356
  C      -6.571859     -1.221740      1.558230
  C      -7.221780     -1.153916      0.317864
  C      -7.606620      0.075334     -0.208452
  C      -7.367632      1.255007      0.491373
  C      -6.736782      1.195219      1.741049
  S      -6.410953      2.629227      2.707203
  C      -6.336927     -0.040363      2.265479
  C      -9.360119     -5.996030      5.687504
  C      -8.125190     -6.374644      4.856705
  C      -7.168278     -5.206042      4.655302
  C      -7.752600     -3.866449      4.201997
  N      -7.606679     -2.968843      5.382692
  C      -7.788034     -1.600230      5.402687
  C      -8.611337     -0.878164      4.525300
  C      -8.858375      0.472456      4.743458
  C      -8.275441      1.148886      5.810738
  C      -7.409865      0.453897      6.671072
  S      -6.593214      1.235442      8.020603
  C      -7.164928     -0.902860      6.462461
  C      -1.192904     -5.330136      8.389078
  C      -1.334202     -4.291516      7.272098
  C      -2.693086     -4.161365      6.532278
  C      -3.892264     -4.283865      7.537969
  N      -5.164086     -4.453782      6.815877
  C      -5.963688     -5.505771      7.391992
  C      -5.649665     -6.858360      7.202633
  C      -6.347671     -7.839253      7.906092
  C      -7.362468     -7.494192      8.791386
  C      -7.700466     -6.142882      8.965007
  S      -8.978336     -5.593272     10.019157
  C      -6.992639     -5.162786      8.263538
  H      -3.272054     -0.893591     -1.384291
  H      -3.343020     -0.294124      0.289260
  H      -4.782313     -1.009717     -0.455228
  H      -2.158134     -2.492931      0.125662
  H      -3.606043     -3.224389     -0.595732
  H      -3.671620     -1.839070      2.098525
  H      -5.544216     -3.814309      0.711778
  H      -5.001267     -4.163475      2.393576
  H      -5.861674     -2.185364      3.078534
  H      -7.410465     -2.084077     -0.216770
  H      -8.099134      0.110981     -1.176870
  H      -7.672515      2.210743      0.073184
  H      -6.894234      3.532091      1.834445
  H      -5.850695     -0.075012      3.243469
  H      -9.949613     -6.888098      5.912679
  H      -9.996690     -5.291192      5.141793
  H      -9.068428     -5.515704      6.633809
  H      -8.466462     -6.766177      3.885956
  H      -7.604690     -7.196017      5.367315
  H      -6.729403     -4.907193      5.597014
  H      -8.742768     -3.821652      3.723731
  H      -6.941225     -3.582796      3.553381
  H      -6.661196     -3.259939      5.639724
  H      -9.068257     -1.400476      3.685369
  H      -9.522910      1.003297      4.067038
  H      -8.489077      2.200800      5.975806
  H      -7.216261      2.423990      7.934970
  H      -6.510192     -1.459837      7.154078
  H      -1.430550     -6.345185      8.058057
  H      -1.828652     -5.081350      9.243606
  H      -0.154092     -5.323386      8.733686
  H      -1.133001     -3.302245      7.701216
  H      -0.569688     -4.461589      6.502538
  H      -2.708144     -3.125900      6.145980
  H      -3.719973     -5.151366      8.189101
  H      -3.936007     -3.386241      8.179941
  H      -4.718842     -4.772702      5.916815
  H      -4.839557     -7.122637      6.524163
  H      -6.084676     -8.885691      7.770806
  H      -7.884105     -8.266990      9.350265
  H      -9.286668     -6.789802     10.553472
  H      -7.222853     -4.104576      8.397206
  N      -4.855430     -3.011072      4.893685
  H      -5.217621     -2.229031      5.443930
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.533864381494
  N      -2.940521     -3.773203      2.243696
  C      -2.536701     -4.895594      1.371424
  C      -2.278642     -6.146519      2.195114
  N      -3.428782     -6.437051      3.094538
  C      -4.588443     -7.046812      2.407371
  C      -5.896743     -6.784186      3.170209
  N      -5.926067     -5.483687      3.843443
  Mo     -4.113521     -4.521093      3.824697
  N      -2.934365     -5.006469      5.343027
  C      -2.301815     -6.329958      5.309925
  C      -2.990909     -7.230061      4.272394
  H      -2.377717     -6.831406      6.287029
  H      -1.227110     -6.233334      5.078972
  H      -3.896688     -7.665117      4.715549
  H      -2.323309     -8.052829      3.974140
  H      -6.722099     -6.869759      2.439326
  H      -6.060447     -7.597176      3.901326
  H      -4.658002     -6.593215      1.409807
  H      -4.460495     -8.132630      2.275019
  H      -1.614117     -4.665518      0.812468
  H      -3.319880     -5.097760      0.616174
  H      -1.418916     -5.938751      2.846221
  H      -2.043280     -7.001814      1.543148
  C      -3.651502     -1.061853     -0.390500
  C      -3.235727     -2.446665      0.107533
  C      -3.752062     -2.774529      1.525593
  C      -5.205046     -3.310568      1.624203
  N      -6.239957     -2.424244      2.119407
  C      -6.562506     -1.185843      1.504454
  C      -7.175303     -1.131767      0.243242
  C      -7.544562      0.096247     -0.300277
  C      -7.328807      1.283201      0.401211
  C      -6.737409      1.232850      1.672435
  S      -6.445404      2.673990      2.645055
  C      -6.351728     -0.000559      2.215468
  C      -9.351259     -6.021322      5.700213
  C      -8.124253     -6.391539      4.852938
  C      -7.173722     -5.218171      4.661540
  C      -7.773379     -3.866476      4.229278
  N      -7.628887     -2.992905      5.434421
  C      -7.813285     -1.624536      5.454644
  C      -8.617979     -0.900859      4.559928
  C      -8.858155      0.453345      4.779933
  C      -8.286786      1.124985      5.860216
  C      -7.438615      0.422478      6.735692
  S      -6.635224      1.196894      8.102001
  C      -7.199894     -0.936927      6.529122
  C      -1.173273     -5.329071      8.362120
  C      -1.332053     -4.286211      7.250407
  C      -2.700158     -4.153588      6.533314
  C      -3.883392     -4.280757      7.558732
  N      -5.165806     -4.462790      6.852522
  C      -5.954068     -5.514538      7.437513
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  C      -6.338390     -7.848615      7.953438
  C      -7.359433     -7.500833      8.835307
  C      -7.696915     -6.147898      9.005084
  S      -8.989650     -5.592269     10.046611
  C      -6.984190     -5.166221      8.307085
  H      -3.218203     -0.874653     -1.380056
  H      -3.301377     -0.280828      0.297469
  H      -4.741752     -0.974963     -0.468332
  H      -2.137934     -2.496613      0.137782
  H      -3.586563     -3.210352     -0.603046
  H      -3.671386     -1.832938      2.098173
  H      -5.557199     -3.773179      0.684405
  H      -5.034903     -4.141691      2.353257
  H      -5.895744     -2.145251      3.051031
  H      -7.348452     -2.064440     -0.295211
  H      -8.008536      0.127802     -1.285551
  H      -7.623202      2.237758     -0.032580
  H      -6.904060      3.570194      1.747094
  H      -5.900767     -0.035002      3.210631
  H      -9.939990     -6.918766      5.919295
  H      -9.995509     -5.308435      5.170082
  H      -9.054897     -5.554846      6.653903
  H      -8.469983     -6.771184      3.878209
  H      -7.597782     -7.219127      5.349320
  H      -6.734353     -4.935213      5.611420
  H      -8.763947     -3.822495      3.760734
  H      -6.981249     -3.554349      3.565940
  H      -6.680865     -3.255212      5.726010
  H      -9.063658     -1.416144      3.708985
  H      -9.507301      0.994225      4.092535
  H      -8.495182      2.180823      6.022979
  H      -7.251801      2.391874      8.001490
  H      -6.559768     -1.502404      7.226817
  H      -1.415448     -6.346275      8.032717
  H      -1.796805     -5.086347      9.230151
  H      -0.127916     -5.326158      8.694938
  H      -1.124261     -3.295964      7.678534
  H      -0.575980     -4.453463      6.469212
  H      -2.721501     -3.122917      6.146132
  H      -3.695272     -5.149028      8.206639
  H      -3.923420     -3.383242      8.200647
  H      -4.732039     -4.768511      5.947195
  H      -4.827106     -7.136342      6.571970
  H      -6.076671     -8.898272      7.820152
  H      -7.887580     -8.273681      9.392337
  H      -9.304052     -6.791921     10.578723
  H      -7.218291     -4.107722      8.436309
  N      -4.814047     -3.037619      4.790053
  H      -5.159843     -2.237194      5.328375
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.564167257107
  N      -2.961803     -3.771072      2.251109
  C      -2.552238     -4.890751      1.371465
  C      -2.292656     -6.143003      2.189615
  N      -3.446669     -6.438896      3.088247
  C      -4.606064     -7.051202      2.396926
  C      -5.907032     -6.796312      3.165706
  N      -5.930165     -5.495795      3.841046
  Mo     -4.132980     -4.512708      3.823729
  N      -2.952743     -5.006371      5.339869
  C      -2.321167     -6.331624      5.304101
  C      -3.009451     -7.232477      4.269108
  H      -2.396107     -6.832479      6.281829
  H      -1.246094     -6.232725      5.074117
  H      -3.915592     -7.669006      4.710815
  H      -2.342058     -8.055134      3.968135
  H      -6.737329     -6.881577      2.441614
  H      -6.064700     -7.610116      3.896647
  H      -4.674038     -6.596006      1.399419
  H      -4.469970     -8.136255      2.262142
  H      -1.626620     -4.657214      0.818124
  H      -3.329902     -5.088778      0.610146
  H      -1.434930     -5.938818      2.845821
  H      -2.053960     -6.998731      1.538647
  C      -3.609334     -1.034604     -0.375567
  C      -3.218146     -2.427747      0.119687
  C      -3.758474     -2.756540      1.526094
  C      -5.224429     -3.271300      1.599531
  N      -6.255378     -2.378013      2.085150
  C      -6.557626     -1.144221      1.453977
  C      -7.132455     -1.103049      0.173921
  C      -7.484484      0.122630     -0.387172
  C      -7.291324      1.315438      0.312893
  C      -6.740379      1.275171      1.602817
  S      -6.481600      2.723571      2.578416
  C      -6.370307      0.045423      2.165274
  C      -9.337659     -6.050318      5.718125
  C      -8.122983     -6.411886      4.850198
  C      -7.173427     -5.236271      4.670424
  C      -7.784641     -3.873259      4.268900
  N      -7.639664     -3.025209      5.491885
  C      -7.827109     -1.652975      5.504541
  C      -8.617572     -0.937127      4.590904
  C      -8.851339      0.422183      4.797830
  C      -8.288126      1.101698      5.877841
  C      -7.453756      0.403154      6.770073
  S      -6.657593      1.187553      8.138812
  C      -7.220738     -0.960430      6.580530
  C      -1.151978     -5.330871      8.328630
  C      -1.334349     -4.283519      7.224916
  C      -2.714452     -4.150313      6.535093
  C      -3.878797     -4.283741      7.580794
  N      -5.171474     -4.478773      6.891561
  C      -5.947611     -5.530532      7.487710
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  C      -6.332619     -7.863060      8.010137
  C      -7.358935     -7.511966      8.886404
  C      -7.696260     -6.158677      9.050322
  S      -9.003955     -5.598520     10.078070
  C      -6.979068     -5.176821      8.354410
  H      -3.158779     -0.844622     -1.358380
  H      -3.259468     -0.260658      0.322207
  H      -4.697202     -0.929289     -0.470947
  H      -2.120688     -2.491619      0.164903
  H      -3.566285     -3.184329     -0.601077
  H      -3.678779     -1.822950      2.110499
  H      -5.575294     -3.724223      0.657106
  H      -5.075459     -4.117657      2.315518
  H      -5.936470     -2.103986      3.026268
  H      -7.291076     -2.037578     -0.366716
  H      -7.919134      0.149586     -1.387139
  H      -7.573842      2.267441     -0.136588
  H      -6.913645      3.612079      1.656635
  H      -5.954712      0.013156      3.175855
  H      -9.927756     -6.950729      5.928727
  H      -9.987657     -5.326004      5.209095
  H      -9.031827     -5.603668      6.678282
  H      -8.478603     -6.774200      3.872134
  H      -7.592312     -7.248865      5.327011
  H      -6.731232     -4.976707      5.626935
  H      -8.779383     -3.829624      3.813468
  H      -7.015872     -3.532717      3.588066
  H      -6.694712     -3.263241      5.813473
  H      -9.055387     -1.454885      3.737302
  H      -9.488033      0.963538      4.097221
  H      -8.490927      2.161861      6.026757
  H      -7.267415      2.386308      8.013598
  H      -6.590307     -1.524162      7.286934
  H      -1.397302     -6.349179      8.000792
  H      -1.759862     -5.096793      9.211427
  H      -0.100182     -5.329387      8.644925
  H      -1.120398     -3.293212      7.652390
  H      -0.589878     -4.444988      6.430134
  H      -2.745167     -3.122279      6.147376
  H      -3.674203     -5.151266      8.225832
  H      -3.914540     -3.385454      8.221132
  H      -4.749054     -4.772279      5.982602
  H      -4.818181     -7.158319      6.629539
  H      -6.072349     -8.914816      7.881069
  H      -7.892801     -8.283486      9.441770
  H      -9.322833     -6.800126     10.608371
  H      -7.217489     -4.118488      8.477138
  N      -4.785028     -3.072869      4.703898
  H      -5.118538     -2.263973      5.239382
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.585184461525
  N      -2.990931     -3.770837      2.261810
  C      -2.573796     -4.884876      1.375366
  C      -2.309313     -6.139648      2.186426
  N      -3.465310     -6.443200      3.081598
  C      -4.620784     -7.056674      2.384029
  C      -5.915267     -6.810671      3.158609
  N      -5.932876     -5.511500      3.837934
  Mo     -4.157863     -4.504639      3.825292
  N      -2.975557     -5.006164      5.338000
  C      -2.343805     -6.331944      5.298191
  C      -3.029403     -7.235277      4.265032
  H      -2.416806     -6.831799      6.276617
  H      -1.268818     -6.229289      5.069228
  H      -3.935105     -7.674694      4.704942
  H      -2.360657     -8.056570      3.962248
  H      -6.751244     -6.894137      2.441804
  H      -6.066133     -7.626291      3.888332
  H      -4.686335     -6.597895      1.387688
  H      -4.474827     -8.140193      2.244615
  H      -1.645998     -4.643847      0.828833
  H      -3.345036     -5.079689      0.607244
  H      -1.454142     -5.938957      2.847544
  H      -2.065578     -6.994463      1.535828
  C      -3.560972     -1.002990     -0.351171
  C      -3.199494     -2.405541      0.139111
  C      -3.769014     -2.737893      1.530849
  C      -5.248855     -3.228764      1.574953
  N      -6.274504     -2.329505      2.054595
  C      -6.557555     -1.100699      1.404884
  C      -7.094638     -1.073387      0.108119
  C      -7.430105      0.148366     -0.471538
  C      -7.259926      1.347087      0.223785
  C      -6.748888      1.319001      1.529799
  S      -6.523672      2.775795      2.504094
  C      -6.393601      0.094728      2.112821
  C      -9.323280     -6.076735      5.731892
  C      -8.123992     -6.430543      4.841494
  C      -7.167509     -5.257174      4.679639
  C      -7.782935     -3.881913      4.317650
  N      -7.643785     -3.065540      5.557752
  C      -7.832536     -1.688085      5.559954
  C      -8.605273     -0.984407      4.622111
  C      -8.830966      0.380955      4.804714
  C      -8.277684      1.074992      5.879305
  C      -7.461219      0.385770      6.794064
  S      -6.673820      1.188963      8.159919
  C      -7.236002     -0.982954      6.632346
  C      -1.121145     -5.330719      8.283980
  C      -1.335750     -4.279087      7.191023
  C      -2.732130     -4.147985      6.536678
  C      -3.872239     -4.288863      7.606090
  N      -5.176570     -4.497253      6.937576
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  C      -6.332695     -7.879449      8.069269
  C      -7.365372     -7.525541      8.936927
  C      -7.700832     -6.172337      9.097395
  S      -9.026557     -5.610724     10.107189
  C      -6.975564     -5.190417      8.407821
  H      -3.089140     -0.809508     -1.323859
  H      -3.212692     -0.239172      0.359156
  H      -4.644659     -0.877069     -0.467832
  H      -2.103639     -2.485165      0.202641
  H      -3.542801     -3.152399     -0.594391
  H      -3.691349     -1.813759      2.129944
  H      -5.597197     -3.670273      0.626988
  H      -5.123812     -4.093186      2.276733
  H      -5.982130     -2.063098      3.003618
  H      -7.238997     -2.010058     -0.432575
  H      -7.835809      0.168802     -1.484148
  H      -7.531074      2.294911     -0.241875
  H      -6.929200      3.654900      1.559833
  H      -6.011914      0.068052      3.137188
  H      -9.919768     -6.976914      5.928663
  H      -9.974227     -5.335228      5.249190
  H      -9.004373     -5.658349      6.699372
  H      -8.492755     -6.767656      3.859228
  H      -7.593736     -7.281694      5.293336
  H      -6.723353     -5.030625      5.644498
  H      -8.783375     -3.838235      3.875791
  H      -7.039710     -3.508809      3.618528
  H      -6.708663     -3.286879      5.914614
  H      -9.033465     -1.509677      3.768417
  H      -9.451535      0.917725      4.085541
  H      -8.472470      2.139934      6.005720
  H      -7.272069      2.390879      8.000367
  H      -6.616576     -1.539246      7.352109
  H      -1.369126     -6.349645      7.958572
  H      -1.707995     -5.107290      9.184128
  H      -0.062094     -5.328075      8.576727
  H      -1.114821     -3.289168      7.617231
  H      -0.607869     -4.431828      6.378913
  H      -2.775802     -3.121429      6.148552
  H      -3.648806     -5.153927      8.248635
  H      -3.901794     -3.388498      8.242825
  H      -4.767728     -4.780115      6.025830
  H      -4.810990     -7.182539      6.694986
  H      -6.075807     -8.932675      7.942711
  H      -7.907743     -8.295834      9.486246
  H      -9.352766     -6.814835     10.630120
  H      -7.217552     -4.132444      8.524440
  N      -4.777542     -3.086267      4.641226
  H      -5.103402     -2.274429      5.178551
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.601188218128
  N      -3.025781     -3.772156      2.275622
  C      -2.598909     -4.877945      1.383474
  C      -2.326719     -6.134667      2.187769
  N      -3.483515     -6.447328      3.077864
  C      -4.632230     -7.061894      2.372815
  C      -5.921663     -6.826318      3.152346
  N      -5.935282     -5.529178      3.835990
  Mo     -4.186623     -4.496304      3.830591
  N      -3.001751     -5.004032      5.339684
  C      -2.368505     -6.329228      5.295674
  C      -3.049648     -7.235916      4.263977
  H      -2.439013     -6.828010      6.274833
  H      -1.293774     -6.221948      5.067890
  H      -3.954436     -7.679163      4.701818
  H      -2.378037     -8.055062      3.960884
  H      -6.763236     -6.907810      2.442664
  H      -6.065160     -7.644161      3.880578
  H      -4.695343     -6.598386      1.378408
  H      -4.475111     -8.143377      2.227623
  H      -1.669861     -4.626052      0.844155
  H      -3.363152     -5.071465      0.608416
  H      -1.474208     -5.936199      2.853066
  H      -2.076376     -6.987767      1.537257
  C      -3.514104     -0.970385     -0.317813
  C      -3.182588     -2.382406      0.164829
  C      -3.782878     -2.720203      1.540248
  C      -5.275724     -3.186290      1.552736
  N      -6.294954     -2.281308      2.028732
  C      -6.561442     -1.059001      1.359522
  C      -7.062172     -1.046932      0.048247
  C      -7.383507      0.169248     -0.550786
  C      -7.236971      1.374578      0.137160
  C      -6.763679      1.360699      1.456897
  S      -6.572298      2.826954      2.426013
  C      -6.420788      0.143466      2.060931
  C      -9.311220     -6.098298      5.744788
  C      -8.128870     -6.446069      4.831755
  C      -7.159073     -5.279348      4.689412
  C      -7.773295     -3.893390      4.367693
  N      -7.643158     -3.106621      5.619659
  C      -7.830174     -1.724396      5.609982
  C      -8.585469     -1.033671      4.647976
  C      -8.798488      0.337975      4.800381
  C      -8.250408      1.048964      5.865034
  C      -7.452509      0.370577      6.802915
  S      -6.668554      1.195280      8.159794
  C      -7.240114     -1.003649      6.673905
  C      -1.083690     -5.327553      8.234155
  C      -1.336543     -4.271434      7.154799
  C      -2.751328     -4.145704      6.541070
  C      -3.863146     -4.297201      7.635718
  N      -5.179896     -4.517072      6.990391
  C      -5.935194     -5.569463      7.606376
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  C      -6.339137     -7.900461      8.115174
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  C      -7.708242     -6.194221      9.141829
  S      -9.051177     -5.636451     10.135489
  C      -6.972035     -5.210036      8.465789
  H      -3.019989     -0.772253     -1.278575
  H      -3.168911     -0.218348      0.406665
  H      -4.592724     -0.824758     -0.456366
  H      -2.089167     -2.477628      0.247425
  H      -3.519384     -3.118223     -0.582731
  H      -3.708639     -1.806355      2.155241
  H      -5.619650     -3.615040      0.597468
  H      -5.176762     -4.069393      2.239746
  H      -6.028701     -2.022972      2.985053
  H      -7.191886     -1.986645     -0.490296
  H      -7.761686      0.180818     -1.574169
  H      -7.498557      2.316874     -0.344859
  H      -6.953384      3.695323      1.461213
  H      -6.070208      0.125639      3.096767
  H      -9.917949     -6.995332      5.925697
  H      -9.959242     -5.336694      5.290683
  H      -8.976601     -5.712355      6.719127
  H      -8.512372     -6.754417      3.845698
  H      -7.602966     -7.313428      5.257011
  H      -6.714241     -5.090685      5.663174
  H      -8.780322     -3.852598      3.939513
  H      -7.057939     -3.488297      3.650903
  H      -6.720552     -3.319938      6.011665
  H      -9.007315     -1.568431      3.797420
  H      -9.402160      0.867912      4.061819
  H      -8.432814      2.118906      5.964869
  H      -7.249484      2.400795      7.963154
  H      -6.631064     -1.550193      7.407431
  H      -1.332855     -6.346910      7.910836
  H      -1.646533     -5.116754      9.152664
  H      -0.017284     -5.320785      8.499086
  H      -1.109251     -3.282257      7.580264
  H      -0.628564     -4.411945      6.323165
  H      -2.811141     -3.119706      6.154377
  H      -3.619319     -5.159569      8.274642
  H      -3.885214     -3.395005      8.268979
  H      -4.786287     -4.790137      6.074738
  H      -4.807721     -7.205166      6.752730
  H      -6.088261     -8.954499      7.983769
  H      -7.930814     -8.318473      9.512331
  H      -9.387597     -6.845450     10.641524
  H      -7.215242     -4.152646      8.582477
  N      -4.794268     -3.067403      4.607578
  H      -5.117068     -2.255487      5.148341
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.614266179459
  N      -3.062199     -3.779227      2.289400
  C      -2.623978     -4.875291      1.392734
  C      -2.342387     -6.131997      2.192420
  N      -3.499354     -6.453171      3.077922
  C      -4.641035     -7.069412      2.366013
  C      -5.927150     -6.843420      3.149075
  N      -5.936531     -5.547745      3.835140
  Mo     -4.214315     -4.490590      3.837755
  N      -3.026415     -5.001322      5.343369
  C      -2.391555     -6.325788      5.297359
  C      -3.068186     -7.236279      4.267918
  H      -2.459514     -6.822593      6.277781
  H      -1.316991     -6.214796      5.070343
  H      -3.972256     -7.682534      4.704191
  H      -2.393328     -8.053881      3.966752
  H      -6.773825     -6.922841      2.445969
  H      -6.064614     -7.662461      3.876836
  H      -4.702065     -6.601385      1.373597
  H      -4.473386     -8.148948      2.215482
  H      -1.694744     -4.610829      0.859738
  H      -3.381705     -5.069395      0.611653
  H      -1.491810     -5.933652      2.860318
  H      -2.085007     -6.983597      1.542303
  C      -3.471809     -0.944361     -0.280753
  C      -3.167467     -2.365418      0.191956
  C      -3.797350     -2.709438      1.550854
  C      -5.301341     -3.150519      1.530698
  N      -6.313350     -2.239535      2.004959
  C      -6.567324     -1.023903      1.320050
  C      -7.035894     -1.024651     -0.003026
  C      -7.346712      0.186601     -0.618015
  C      -7.222438      1.397735      0.063925
  C      -6.781309      1.395550      1.394740
  S      -6.620462      2.869078      2.359751
  C      -6.447608      0.184368      2.015487
  C      -9.306961     -6.114440      5.751360
  C      -8.139113     -6.457238      4.819339
  C      -7.151515     -5.300037      4.697551
  C      -7.760732     -3.905365      4.409520
  N      -7.644632     -3.141725      5.668678
  C      -7.826625     -1.756327      5.650038
  C      -8.563335     -1.073443      4.667203
  C      -8.760044      0.303583      4.793520
  C      -8.214785      1.026680      5.851146
  C      -7.437516      0.354106      6.810038
  S      -6.655741      1.192446      8.160974
  C      -7.241864     -1.024954      6.708161
  C      -1.042983     -5.313320      8.187870
  C      -1.335082     -4.256397      7.119957
  C      -2.767221     -4.141392      6.545509
  C      -3.850358     -4.303397      7.663679
  N      -5.178173     -4.533360      7.041188
  C      -5.927382     -5.586132      7.660950
  C      -5.617982     -6.940852      7.467417
  C      -6.347288     -7.919189      8.143991
  C      -7.391291     -7.568133      8.998633
  C      -7.715024     -6.215229      9.176826
  S      -9.072132     -5.663294     10.157569
  C      -6.966838     -5.227890      8.518301
  H      -2.956723     -0.740586     -1.229478
  H      -3.130581     -0.204461      0.458229
  H      -4.545349     -0.781452     -0.439380
  H      -2.076697     -2.474943      0.292163
  H      -3.497214     -3.089941     -0.569787
  H      -3.727188     -1.806232      2.181530
  H      -5.639806     -3.564643      0.567327
  H      -5.231240     -4.050388      2.200803
  H      -6.071730     -1.989430      2.969143
  H      -7.151733     -1.966956     -0.540019
  H      -7.701099      0.190283     -1.650130
  H      -7.477057      2.335214     -0.431385
  H      -6.981680      3.729161      1.379753
  H      -6.122260      0.174237      3.059310
  H      -9.926225     -7.006685      5.914902
  H      -9.948828     -5.332283      5.324452
  H      -8.958057     -5.761519      6.732866
  H      -8.534652     -6.736519      3.829264
  H      -7.621417     -7.340955      5.220288
  H      -6.709854     -5.149507      5.680935
  H      -8.773116     -3.871618      3.991140
  H      -7.071700     -3.472457      3.678717
  H      -6.735163     -3.352723      6.095371
  H      -8.980917     -1.613639      3.818404
  H      -9.345735      0.829553      4.037493
  H      -8.381914      2.101112      5.928357
  H      -7.214762      2.403064      7.932861
  H      -6.644781     -1.565398      7.454574
  H      -1.290622     -6.334550      7.868961
  H      -1.582948     -5.113227      9.122705
  H       0.029902     -5.298627      8.425603
  H      -1.103889     -3.266587      7.542862
  H      -0.646943     -4.384556      6.269917
  H      -2.844852     -3.116723      6.159496
  H      -3.587450     -5.162004      8.300410
  H      -3.865202     -3.398370      8.292252
  H      -4.799887     -4.800751      6.121247
  H      -4.804323     -7.220335      6.796855
  H      -6.103558     -8.973789      8.003076
  H      -7.956099     -8.341922      9.519905
  H      -9.419902     -6.878115     10.641932
  H      -7.209073     -4.170961      8.639806
  N      -4.818473     -3.039851      4.585123
  H      -5.140669     -2.229028      5.129272
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.624897151718
  N      -3.099282     -3.791607      2.302046
  C      -2.648310     -4.877424      1.402379
  C      -2.356441     -6.131751      2.200386
  N      -3.513307     -6.459624      3.082060
  C      -4.648271     -7.078151      2.363897
  C      -5.932822     -6.860882      3.148825
  N      -5.938497     -5.566137      3.835811
  Mo     -4.240606     -4.487220      3.846568
  N      -3.049517     -4.998213      5.348814
  C      -2.413058     -6.321827      5.303402
  C      -3.085751     -7.236122      4.276794
  H      -2.478878     -6.815915      6.285499
  H      -1.338510     -6.208375      5.076955
  H      -3.989680     -7.683923      4.711730
  H      -2.407922     -8.053206      3.979805
  H      -6.783626     -6.938440      2.451161
  H      -6.065661     -7.680292      3.876848
  H      -4.707942     -6.605723      1.373565
  H      -4.471344     -8.155819      2.208514
  H      -1.720049     -4.599637      0.874527
  H      -3.400308     -5.074240      0.616556
  H      -1.507017     -5.931411      2.869164
  H      -2.092439     -6.982431      1.551291
  C      -3.436229     -0.923180     -0.240052
  C      -3.154558     -2.353029      0.219482
  C      -3.811753     -2.704875      1.562141
  C      -5.324634     -3.121029      1.508567
  N      -6.328137     -2.202217      1.981957
  C      -6.573439     -0.992841      1.285149
  C      -7.013945     -1.004349     -0.047577
  C      -7.317749      0.202172     -0.675964
  C      -7.214573      1.418543      0.000751
  C      -6.800309      1.426405      1.340370
  S      -6.666934      2.905862      2.301409
  C      -6.472536      0.220693      1.974706
  C      -9.311111     -6.128105      5.750865
  C      -8.155074     -6.465567      4.803143
  C      -7.147728     -5.319615      4.704668
  C      -7.749821     -3.918433      4.443988
  N      -7.651512     -3.170947      5.707386
  C      -7.823167     -1.783644      5.682394
  C      -8.537922     -1.103260      4.680906
  C      -8.713659      0.278630      4.784936
  C      -8.169725      1.008869      5.838841
  C      -7.416858      0.337019      6.817693
  S      -6.637002      1.181297      8.166517
  C      -7.242757     -1.046549      6.738067
  C      -1.000957     -5.288108      8.145765
  C      -1.332654     -4.233892      7.087180
  C      -2.780207     -4.134971      6.549334
  C      -3.835926     -4.307734      7.688799
  N      -5.173041     -4.546311      7.088229
  C      -5.917747     -5.599670      7.709912
  C      -5.612259     -6.953195      7.503671
  C      -6.352084     -7.936159      8.162258
  C      -7.402175     -7.589542      9.011559
  C      -7.720153     -6.236922      9.204165
  S      -9.089862     -5.693195     10.173668
  C      -6.960912     -5.245367      8.564947
  H      -2.902683     -0.711902     -1.177065
  H      -3.099708     -0.195977      0.513752
  H      -4.505129     -0.746182     -0.415658
  H      -2.066442     -2.474931      0.334822
  H      -3.477204     -3.065616     -0.556568
  H      -3.745574     -1.812490      2.208008
  H      -5.656562     -3.517793      0.535844
  H      -5.286487     -4.035773      2.160177
  H      -6.109158     -1.960155      2.953443
  H      -7.116394     -1.949080     -0.582983
  H      -7.651814      0.198384     -1.715015
  H      -7.464750      2.351533     -0.505498
  H      -7.012986      3.759259      1.310099
  H      -6.166623      0.218012      3.023939
  H      -9.944092     -7.014422      5.894849
  H      -9.944218     -5.325183      5.350333
  H      -8.950161     -5.808876      6.739796
  H      -8.559262     -6.715118      3.808503
  H      -7.648394     -7.365651      5.181124
  H      -6.712994     -5.206810      5.697992
  H      -8.765951     -3.894985      4.031006
  H      -7.083199     -3.462961      3.703478
  H      -6.757763     -3.386066      6.167970
  H      -8.952576     -1.645244      3.832066
  H      -9.278934      0.803744      4.012659
  H      -8.317985      2.087408      5.896923
  H      -7.168330      2.399003      7.911024
  H      -6.660745     -1.584344      7.497251
  H      -1.243543     -6.312522      7.832810
  H      -1.520220     -5.097009      9.094434
  H       0.077203     -5.261383      8.357945
  H      -1.101092     -3.242115      7.506112
  H      -0.663476     -4.349710      6.220385
  H      -2.877294     -3.112298      6.163329
  H      -3.555548     -5.161830      8.324549
  H      -3.844400     -3.399438      8.312216
  H      -4.809569     -4.812025      6.163720
  H      -4.796750     -7.228964      6.833493
  H      -6.114110     -8.990627      8.009964
  H      -7.977871     -8.366826      9.515725
  H      -9.447970     -6.914155     10.634495
  H      -7.202421     -4.189144      8.693577
  N      -4.843282     -3.018567      4.566492
  H      -5.166691     -2.209644      5.113298
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.633626326329
  N      -3.135698     -3.807061      2.313345
  C      -2.671011     -4.883170      1.412586
  C      -2.368999     -6.133350      2.211833
  N      -3.525746     -6.465513      3.090191
  C      -4.654286     -7.086842      2.366476
  C      -5.938452     -6.877684      3.152037
  N      -5.942207     -5.583244      3.838663
  Mo     -4.265544     -4.484733      3.857135
  N      -3.071823     -4.994434      5.356483
  C      -2.433637     -6.316964      5.313641
  C      -3.102879     -7.235100      4.289910
  H      -2.498205     -6.807910      6.297599
  H      -1.358921     -6.201954      5.088197
  H      -4.007412     -7.682927      4.723408
  H      -2.422722     -8.052765      3.998934
  H      -6.792225     -6.954414      2.458482
  H      -6.067285     -7.696876      3.880906
  H      -4.713706     -6.610295      1.378239
  H      -4.469258     -8.162706      2.206879
  H      -1.744583     -4.592145      0.888950
  H      -3.417883     -5.084778      0.623110
  H      -1.520240     -5.929420      2.880216
  H      -2.099279     -6.983946      1.564619
  C      -3.403913     -0.904748     -0.197137
  C      -3.141522     -2.342958      0.247513
  C      -3.824684     -2.703836      1.574019
  C      -5.344444     -3.095283      1.486634
  N      -6.338521     -2.166849      1.959386
  C      -6.579653     -0.963023      1.254342
  C      -6.995950     -0.983045     -0.086293
  C      -7.296993      0.218709     -0.725273
  C      -7.215164      1.439203     -0.052651
  C      -6.823353      1.455529      1.293756
  S      -6.716718      2.939534      2.251479
  C      -6.497281      0.255097      1.938732
  C      -9.318751     -6.140849      5.749021
  C      -8.173449     -6.472102      4.786955
  C      -7.147465     -5.337766      4.712290
  C      -7.742462     -3.932612      4.472948
  N      -7.660654     -3.193898      5.737454
  C      -7.818159     -1.805376      5.706254
  C      -8.512552     -1.125774      4.689255
  C      -8.664137      0.260459      4.771931
  C      -8.116906      0.996212      5.820670
  C      -7.387356      0.324063      6.816915
  S      -6.604864      1.171992      8.161780
  C      -7.237870     -1.063572      6.758211
  C      -0.960260     -5.257844      8.106416
  C      -1.331357     -4.207471      7.057367
  C      -2.792143     -4.127801      6.553693
  C      -3.822277     -4.313325      7.712273
  N      -5.167462     -4.558469      7.132275
  C      -5.908076     -5.613810      7.754340
  C      -5.605719     -6.965706      7.533057
  C      -6.355182     -7.954789      8.171565
  C      -7.410985     -7.614972      9.016595
  C      -7.724115     -6.263453      9.226636
  S      -9.104039     -5.730330     10.188241
  C      -6.955227     -5.266444      8.607819
  H      -2.853516     -0.685082     -1.122454
  H      -3.073085     -0.190437      0.571423
  H      -4.468374     -0.716219     -0.387815
  H      -2.056153     -2.475690      0.376616
  H      -3.456789     -3.043185     -0.542727
  H      -3.762061     -1.822153      2.234293
  H      -5.668296     -3.471879      0.503307
  H      -5.340844     -4.023332      2.119313
  H      -6.139981     -1.932956      2.936763
  H      -7.084500     -1.929864     -0.620314
  H      -7.613777      0.207997     -1.769717
  H      -7.464121      2.367882     -0.567370
  H      -7.052722      3.787303      1.251978
  H      -6.206200      0.259876      2.991783
  H      -9.964862     -7.020731      5.873502
  H      -9.942450     -5.318309      5.374599
  H      -8.946783     -5.854466      6.744093
  H      -8.584440     -6.692706      3.788210
  H      -7.678070     -7.387355      5.142888
  H      -6.720886     -5.260906      5.714601
  H      -8.761681     -3.922029      4.063980
  H      -7.095139     -3.459783      3.724322
  H      -6.784390     -3.418536      6.227886
  H      -8.928385     -1.669282      3.842036
  H      -9.210506      0.784967      3.985699
  H      -8.244007      2.078301      5.860771
  H      -7.105584      2.397026      7.880990
  H      -6.670439     -1.598937      7.529001
  H      -1.194780     -6.285720      7.798516
  H      -1.460950     -5.075818      9.066922
  H       0.121880     -5.216132      8.294802
  H      -1.102690     -3.213385      7.472891
  H      -0.680216     -4.310028      6.175273
  H      -2.910100     -3.107058      6.168814
  H      -3.525434     -5.163460      8.346237
  H      -3.825035     -3.402770      8.332085
  H      -4.818213     -4.824343      6.203401
  H      -4.787955     -7.235373      6.863097
  H      -6.121782     -9.008268      8.005806
  H      -7.996231     -8.396732      9.502555
  H      -9.471344     -6.957713     10.623818
  H      -7.196163     -4.211304      8.746286
  N      -4.868262     -3.002664      4.552567
  H      -5.194514     -2.195266      5.100207
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.640870216816
  N      -3.170270     -3.824848      2.322797
  C      -2.691407     -4.892154      1.422519
  C      -2.379697     -6.137198      2.225187
  N      -3.536275     -6.471468      3.100948
  C      -4.659209     -7.095600      2.372726
  C      -5.943596     -6.893860      3.158427
  N      -5.947442     -5.599094      3.843568
  Mo     -4.288113     -4.483535      3.868999
  N      -3.092356     -4.991641      5.365780
  C      -2.452363     -6.312975      5.326468
  C      -3.118780     -7.234701      4.305402
  H      -2.516583     -6.800777      6.312244
  H      -1.377346     -6.197016      5.102475
  H      -4.024545     -7.681137      4.737571
  H      -2.437296     -8.054028      4.021421
  H      -6.799274     -6.970915      2.467725
  H      -6.068783     -7.712374      3.888621
  H      -4.719691     -6.615103      1.386613
  H      -4.467360     -8.169792      2.209266
  H      -1.767488     -4.588283      0.902224
  H      -3.433745     -5.100322      0.630429
  H      -1.531106     -5.928664      2.892135
  H      -2.105538     -6.988501      1.580456
  C      -3.374738     -0.888666     -0.153513
  C      -3.127899     -2.334423      0.275838
  C      -3.835481     -2.705359      1.586272
  C      -5.360221     -3.072602      1.465348
  N      -6.344094     -2.133645      1.938142
  C      -6.584787     -0.934272      1.228939
  C      -6.979376     -0.958859     -0.118567
  C      -7.280879      0.239157     -0.764085
  C      -7.221074      1.461625     -0.092569
  C      -6.848890      1.482910      1.259324
  S      -6.769135      2.968816      2.216784
  C      -6.521261      0.286616      1.910907
  C      -9.328047     -6.153289      5.747629
  C      -8.192390     -6.477249      4.772319
  C      -7.150223     -5.353868      4.720240
  C      -7.740009     -3.947037      4.495143
  N      -7.670323     -3.209549      5.757542
  C      -7.812960     -1.820474      5.719115
  C      -8.494325     -1.142484      4.691591
  C      -8.621842      0.247186      4.753594
  C      -8.064465      0.988589      5.793088
  C      -7.351511      0.317504      6.801942
  S      -6.558836      1.169691      8.137660
  C      -7.226347     -1.073408      6.763486
  C      -0.920110     -5.224510      8.069771
  C      -1.330868     -4.179139      7.030603
  C      -2.802871     -4.121763      6.558489
  C      -3.809050     -4.322142      7.734247
  N      -5.161325     -4.572249      7.173233
  C      -5.898091     -5.630414      7.794784
  C      -5.599675     -6.980708      7.557403
  C      -6.358476     -7.975656      8.175500
  C      -7.418874     -7.642879      9.017459
  C      -7.726547     -6.292889      9.246322
  S      -9.113581     -5.769756     10.203265
  C      -6.948622     -5.290713      8.647473
  H      -2.808949     -0.660153     -1.067305
  H      -3.050873     -0.186667      0.629216
  H      -4.435149     -0.691261     -0.357989
  H      -2.045261     -2.476151      0.417836
  H      -3.435315     -3.022459     -0.528107
  H      -3.776048     -1.834209      2.260157
  H      -5.674371     -3.426133      0.470476
  H      -5.392961     -4.012177      2.078729
  H      -6.163750     -1.908676      2.920446
  H      -7.053266     -1.906604     -0.652961
  H      -7.582287      0.223742     -1.813010
  H      -7.471269      2.387047     -0.612437
  H      -7.099010      3.813124      1.212409
  H      -6.242062      0.297025      2.966898
  H      -9.985731     -7.026957      5.853886
  H      -9.942947     -5.313260      5.398509
  H      -8.946082     -5.897597      6.747393
  H      -8.608694     -6.671118      3.770206
  H      -7.707243     -7.405568      5.107861
  H      -6.732000     -5.308989      5.730084
  H      -8.762364     -3.951826      4.091186
  H      -7.110619     -3.461738      3.737637
  H      -6.811090     -3.446081      6.272033
  H      -8.917642     -1.688885      3.849930
  H      -9.155492      0.769775      3.957439
  H      -8.170856      2.073412      5.816071
  H      -7.030460      2.400690      7.833975
  H      -6.668811     -1.605310      7.543053
  H      -1.143114     -6.256075      7.765794
  H      -1.404395     -5.052204      9.040461
  H       0.164748     -5.164579      8.236261
  H      -1.108650     -3.182427      7.443622
  H      -0.696646     -4.267303      6.134687
  H      -2.943364     -3.102962      6.176207
  H      -3.496284     -5.169187      8.365035
  H      -3.806819     -3.410546      8.352408
  H      -4.825814     -4.839580      6.240477
  H      -4.779878     -7.243929      6.887387
  H      -6.129682     -9.027776      7.995395
  H      -8.013014     -8.428866      9.485441
  H      -9.490387     -7.002872     10.613486
  H      -7.187983     -4.236680      8.797324
  N      -4.891961     -2.992316      4.544058
  H      -5.222186     -2.185859      5.090853
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.646968377374
  N      -3.202241     -3.843887      2.328813
  C      -2.708624     -4.903463      1.430634
  C      -2.387538     -6.142619      2.238525
  N      -3.543834     -6.477336      3.112447
  C      -4.662217     -7.104179      2.380840
  C      -5.947065     -6.909223      3.166630
  N      -5.953070     -5.613541      3.849232
  Mo     -4.307385     -4.483433      3.880349
  N      -3.110139     -4.989944      5.374951
  C      -2.467901     -6.309849      5.339783
  C      -3.131846     -7.235012      4.321205
  H      -2.532384     -6.794545      6.327376
  H      -1.392567     -6.192977      5.117562
  H      -4.039211     -7.679002      4.752341
  H      -2.449975     -8.056787      4.044599
  H      -6.803844     -6.987994      2.477830
  H      -6.068553     -7.726681      3.898576
  H      -4.725058     -6.619924      1.396839
  H      -4.464695     -8.176843      2.213745
  H      -1.787666     -4.587182      0.913065
  H      -3.446680     -5.120023      0.636720
  H      -1.538870     -5.928509      2.903355
  H      -2.109977     -6.995330      1.596862
  C      -3.347297     -0.875920     -0.113729
  C      -3.113053     -2.327916      0.302210
  C      -3.843971     -2.708809      1.596670
  C      -5.371967     -3.052882      1.443213
  N      -6.345304     -2.103432      1.916889
  C      -6.588103     -0.907408      1.207122
  C      -6.961554     -0.932062     -0.146877
  C      -7.265436      0.263867     -0.794730
  C      -7.228903      1.485810     -0.120567
  C      -6.875663      1.507760      1.236318
  S      -6.823979      2.992426      2.197671
  C      -6.544615      0.313961      1.890432
  C      -9.336429     -6.166950      5.746872
  C      -8.209747     -6.481922      4.758639
  C      -7.154314     -5.368070      4.727711
  C      -7.741660     -3.961265      4.511250
  N      -7.678748     -3.221063      5.770445
  C      -7.807831     -1.831999      5.725614
  C      -8.484468     -1.156466      4.692835
  C      -8.591327      0.235467      4.736765
  C      -8.019151      0.982200      5.764316
  C      -7.314830      0.313342      6.780537
  S      -6.507074      1.170090      8.103720
  C      -7.210395     -1.079885      6.759900
  C      -0.881892     -5.191296      8.033908
  C      -1.330926     -4.150838      7.005673
  C      -2.812136     -4.117125      6.562479
  C      -3.795743     -4.333901      7.753485
  N      -5.154428     -4.586799      7.209584
  C      -5.888778     -5.646733      7.830988
  C      -5.596550     -6.996126      7.579483
  C      -6.365611     -7.994384      8.179164
  C      -7.429359     -7.665791      9.018356
  C      -7.729489     -6.316931      9.264150
  S      -9.120405     -5.799411     10.218337
  C      -6.941850     -5.312023      8.682704
  H      -2.766781     -0.639386     -1.016112
  H      -3.031945     -0.184578      0.681823
  H      -4.403800     -0.671878     -0.332066
  H      -2.033174     -2.476783      0.457346
  H      -3.411714     -3.004977     -0.514308
  H      -3.787660     -1.847632      2.282988
  H      -5.674740     -3.381056      0.436344
  H      -5.441697     -4.001679      2.037187
  H      -6.181296     -1.888220      2.903514
  H      -7.019450     -1.879118     -0.684278
  H      -7.551720      0.246801     -1.847846
  H      -7.481670      2.409420     -0.642292
  H      -7.149613      3.835897      1.191281
  H      -6.276483      0.327058      2.949199
  H     -10.003997     -7.034948      5.836191
  H      -9.943661     -5.311453      5.422854
  H      -8.944949     -5.940199      6.750083
  H      -8.630564     -6.650820      3.753906
  H      -7.733272     -7.421451      5.074629
  H      -6.743822     -5.349948      5.743463
  H      -8.767579     -3.982599      4.114777
  H      -7.130008     -3.466699      3.743768
  H      -6.835304     -3.470867      6.303413
  H      -8.919971     -1.706685      3.859866
  H      -9.119439      0.755223      3.935157
  H      -8.107963      2.068812      5.772423
  H      -6.954089      2.405204      7.780566
  H      -6.657811     -1.607788      7.545020
  H      -1.091331     -6.226143      7.731628
  H      -1.351943     -5.029844      9.013416
  H       0.204477     -5.111648      8.180898
  H      -1.117584     -3.151753      7.417830
  H      -0.712463     -4.223710      6.097370
  H      -2.976354     -3.100266      6.184584
  H      -3.468045     -5.179224      8.379309
  H      -3.788395     -3.422809      8.372276
  H      -4.832212     -4.857552      6.273585
  H      -4.775139     -7.255293      6.909894
  H      -6.142653     -9.045477      7.986342
  H      -8.032755     -8.454037      9.470380
  H      -9.508599     -7.036284     10.605743
  H      -7.177418     -4.258552      8.842990
  N      -4.913674     -2.986422      4.539165
  H      -5.248915     -2.179931      5.083112
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.652304292817
  N      -3.232233     -3.863250      2.331059
  C      -2.723145     -4.916142      1.436554
  C      -2.392870     -6.148803      2.251036
  N      -3.548657     -6.482977      3.123886
  C      -4.663629     -7.112497      2.390087
  C      -5.949044     -6.923580      3.175926
  N      -5.959155     -5.626357      3.854869
  Mo     -4.323787     -4.484343      3.890282
  N      -3.125528     -4.989228      5.383233
  C      -2.480206     -6.307320      5.352487
  C      -3.141734     -7.235903      4.336341
  H      -2.545156     -6.788992      6.341821
  H      -1.404668     -6.189037      5.132091
  H      -4.050763     -7.676890      4.766854
  H      -2.460162     -8.060479      4.066878
  H      -6.806236     -7.005654      2.488250
  H      -6.066671     -7.739556      3.910114
  H      -4.729850     -6.624818      1.408094
  H      -4.461426     -8.183785      2.219630
  H      -1.805342     -4.587942      0.921442
  H      -3.456759     -5.142765      0.641245
  H      -1.544167     -5.928134      2.913433
  H      -2.112491     -7.003436      1.612972
  C      -3.321887     -0.867040     -0.080202
  C      -3.097740     -2.323752      0.325349
  C      -3.851197     -2.713730      1.603924
  C      -5.380888     -3.035998      1.419297
  N      -6.343614     -2.076345      1.894633
  C      -6.589583     -0.882509      1.186952
  C      -6.942345     -0.903156     -0.173147
  C      -7.249458      0.292473     -0.819681
  C      -7.236369      1.511650     -0.139695
  C      -6.901460      1.530273      1.221807
  S      -6.877751      3.010866      2.190711
  C      -6.566306      0.337288      1.874906
  C      -9.344794     -6.182318      5.745020
  C      -8.226209     -6.486243      4.744274
  C      -7.159887     -5.380570      4.733813
  C      -7.746537     -3.974269      4.522252
  N      -7.685844     -3.229940      5.778395
  C      -7.802207     -1.841163      5.728649
  C      -8.479787     -1.168020      4.694538
  C      -8.569717      0.225254      4.723775
  C      -7.980821      0.976232      5.738714
  C      -7.279392      0.309656      6.758215
  S      -6.454789      1.170228      8.068030
  C      -7.191768     -1.085171      6.752187
  C      -0.847253     -5.157996      7.999525
  C      -1.332388     -4.122437      6.982711
  C      -2.820976     -4.113495      6.565378
  C      -3.783102     -4.347932      7.769687
  N      -5.147368     -4.602238      7.241031
  C      -5.880055     -5.662578      7.863901
  C      -5.594264     -7.011711      7.602646
  C      -6.373392     -8.010830      8.187514
  C      -7.440162     -7.683532      9.023199
  C      -7.732633     -6.335253      9.281384
  S      -9.126052     -5.819304     10.232553
  C      -6.935557     -5.329861      8.713590
  H      -2.726851     -0.623813     -0.971210
  H      -3.016816     -0.184139      0.726532
  H      -4.374446     -0.658370     -0.313181
  H      -2.020716     -2.477786      0.494611
  H      -3.386363     -2.991748     -0.502260
  H      -3.798211     -1.861661      2.301245
  H      -5.670729     -3.337241      0.400489
  H      -5.487189     -3.991622      1.994040
  H      -6.194228     -1.871560      2.885120
  H      -6.983774     -1.847883     -0.716017
  H      -7.520782      0.276786     -1.876757
  H      -7.492145      2.434881     -0.660505
  H      -7.200024      3.855970      1.184659
  H      -6.308527      0.350001      2.936245
  H     -10.021100     -7.045037      5.817640
  H      -9.945089     -5.312820      5.446295
  H      -8.944623     -5.983848      6.750969
  H      -8.650793     -6.630743      3.737373
  H      -7.757457     -7.435895      5.040564
  H      -6.756640     -5.383907      5.754013
  H      -8.776226     -4.010783      4.135251
  H      -7.151634     -3.472909      3.744666
  H      -6.857651     -3.494143      6.326692
  H      -8.929889     -1.722119      3.871920
  H      -9.097441      0.742281      3.920231
  H      -8.055417      2.063922      5.734732
  H      -6.881401      2.408158      7.728764
  H      -6.641084     -1.609535      7.540410
  H      -1.041590     -6.195572      7.696852
  H      -1.305449     -5.008405      8.986496
  H       0.239486     -5.057784      8.129931
  H      -1.129947     -3.121309      7.395528
  H      -0.728285     -4.179511      6.063588
  H      -3.009997     -3.098768      6.193356
  H      -3.441359     -5.193045      8.388534
  H      -3.770638     -3.439044      8.391566
  H      -4.838006     -4.878386      6.302384
  H      -4.771102     -7.269459      6.934653
  H      -6.156093     -9.061357      7.985546
  H      -8.052442     -8.472184      9.462338
  H      -9.526061     -7.057987     10.601550
  H      -7.166655     -4.276453      8.881284
  N      -4.933850     -2.983943      4.536142
  H      -5.275030     -2.175925      5.074539
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.660220870469
  N      -3.261489     -3.884232      2.330094
  C      -2.738100     -4.931635      1.439949
  C      -2.397529     -6.157078      2.262624
  N      -3.552258     -6.489856      3.135696
  C      -4.664237     -7.122566      2.400173
  C      -5.950660     -6.938491      3.185406
  N      -5.965154     -5.639414      3.860727
  Mo     -4.338658     -4.485544      3.899261
  N      -3.139966     -4.988596      5.391367
  C      -2.491494     -6.305142      5.366341
  C      -3.150309     -7.237562      4.352492
  H      -2.557531     -6.783240      6.357652
  H      -1.415645     -6.185724      5.148337
  H      -4.061041     -7.675284      4.782506
  H      -2.469111     -8.065103      4.090824
  H      -6.807800     -7.023733      2.498217
  H      -6.065082     -7.752780      3.921945
  H      -4.734048     -6.632365      1.419778
  H      -4.457799     -8.192679      2.227459
  H      -1.824367     -4.592215      0.925618
  H      -3.468258     -5.169425      0.644607
  H      -1.548276     -5.929157      2.921574
  H      -2.114898     -7.014055      1.628548
  C      -3.294794     -0.861513     -0.050372
  C      -3.082208     -2.323043      0.344682
  C      -3.857694     -2.721096      1.607420
  C      -5.388236     -3.020643      1.391940
  N      -6.339882     -2.050889      1.870022
  C      -6.589724     -0.858083      1.167256
  C      -6.923875     -0.870851     -0.198205
  C      -7.234998      0.325997     -0.840108
  C      -7.244258      1.540428     -0.151736
  C      -6.925757      1.552082      1.213668
  S      -6.928747      3.025975      2.193219
  C      -6.585693      0.358423      1.862485
  C      -9.354730     -6.195957      5.741022
  C      -8.242904     -6.489670      4.729726
  C      -7.165731     -5.392783      4.739757
  C      -7.751963     -3.987021      4.532039
  N      -7.695096     -3.238512      5.785981
  C      -7.799456     -1.850440      5.732560
  C      -8.476764     -1.179514      4.696495
  C      -8.550173      0.214634      4.711146
  C      -7.946064      0.969313      5.714297
  C      -7.248550      0.305080      6.737708
  S      -6.408610      1.169148      8.034917
  C      -7.177292     -1.091031      6.746206
  C      -0.815903     -5.124225      7.967155
  C      -1.334296     -4.094803      6.960415
  C      -2.828934     -4.109289      6.567407
  C      -3.770583     -4.357914      7.784362
  N      -5.139735     -4.614782      7.270762
  C      -5.869403     -5.675985      7.896179
  C      -5.588331     -7.024804      7.627172
  C      -6.376665     -8.024693      8.197926
  C      -7.447525     -7.698871      9.028733
  C      -7.734277     -6.351393      9.297283
  S      -9.132079     -5.837052     10.242506
  C      -6.928374     -5.345515      8.742660
  H      -2.685540     -0.612778     -0.930072
  H      -2.998930     -0.187412      0.767051
  H      -4.343028     -0.646859     -0.297355
  H      -2.008397     -2.483708      0.527497
  H      -3.361953     -2.981517     -0.493634
  H      -3.807602     -1.877744      2.314911
  H      -5.665795     -3.294027      0.362139
  H      -5.532748     -3.981645      1.945542
  H      -6.204705     -1.858129      2.864217
  H      -6.949720     -1.811792     -0.748432
  H      -7.492897      0.314295     -1.900552
  H      -7.503716      2.464523     -0.669006
  H      -7.248862      3.875107      1.189942
  H      -6.337051      0.368281      2.926082
  H     -10.039852     -7.052817      5.797334
  H      -9.947494     -5.313464      5.466275
  H      -8.947191     -6.024742      6.749187
  H      -8.669478     -6.610802      3.720669
  H      -7.782729     -7.448771      5.007963
  H      -6.769773     -5.416915      5.763844
  H      -8.784415     -4.038963      4.152851
  H      -7.172519     -3.478667      3.745945
  H      -6.882957     -3.517995      6.348543
  H      -8.939696     -1.737536      3.883649
  H      -9.076451      0.728918      3.905025
  H      -8.006668      2.057726      5.698250
  H      -6.815840      2.409080      7.679860
  H      -6.628692     -1.611686      7.537667
  H      -0.996541     -6.164277      7.664983
  H      -1.262732     -4.984030      8.960654
  H       0.270599     -5.004852      8.081810
  H      -1.141911     -3.091569      7.372968
  H      -0.744148     -4.138354      6.031444
  H      -3.040981     -3.097156      6.200593
  H      -3.415483     -5.201009      8.398716
  H      -3.753101     -3.449598      8.406884
  H      -4.842751     -4.897588      6.330143
  H      -4.762806     -7.281117      6.961548
  H      -6.163546     -9.074495      7.988192
  H      -8.068097     -8.487875      9.455319
  H      -9.542763     -7.077022     10.594875
  H      -7.156557     -4.292260      8.915878
  N      -4.952617     -2.982248      4.532708
  H      -5.300344     -2.171400      5.063246
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.664223491723
  N      -3.288256     -3.901642      2.326135
  C      -2.749237     -4.944718      1.442699
  C      -2.398915     -6.162153      2.274448
  N      -3.552290     -6.493853      3.147866
  C      -4.662037     -7.129763      2.411728
  C      -5.949155     -6.951599      3.196793
  N      -5.972418     -5.650426      3.867299
  Mo     -4.350473     -4.486985      3.907407
  N      -3.151383     -4.987961      5.399095
  C      -2.497782     -6.301728      5.378699
  C      -3.154096     -7.237805      4.367272
  H      -2.563566     -6.776759      6.371638
  H      -1.422188     -6.179354      5.161915
  H      -4.066238     -7.672249      4.797398
  H      -2.473755     -8.067931      4.111744
  H      -6.805457     -7.043422      2.509499
  H      -6.058429     -7.763883      3.936342
  H      -4.737047     -6.636974      1.433161
  H      -4.451731     -8.198590      2.236527
  H      -1.839088     -4.594924      0.929802
  H      -3.474798     -5.195497      0.647108
  H      -1.549959     -5.925697      2.930509
  H      -2.113755     -7.021343      1.644501
  C      -3.277956     -0.856552     -0.027141
  C      -3.069201     -2.320465      0.361045
  C      -3.864413     -2.727378      1.608377
  C      -5.392718     -3.008155      1.364526
  N      -6.334055     -2.028718      1.845831
  C      -6.588386     -0.835390      1.150403
  C      -6.905325     -0.836078     -0.219719
  C      -7.221000      0.363949     -0.853177
  C      -7.251204      1.571342     -0.153345
  C      -6.947301      1.571929      1.215379
  S      -6.974552      3.036442      2.208959
  C      -6.602190      0.375789      1.856154
  C      -9.362685     -6.222070      5.737734
  C      -8.256756     -6.499087      4.714941
  C      -7.174334     -5.406649      4.744843
  C      -7.763309     -4.001721      4.538210
  N      -7.701940     -3.245707      5.788601
  C      -7.792900     -1.858330      5.730066
  C      -8.477587     -1.190300      4.696614
  C      -8.537505      0.204149      4.698277
  C      -7.913353      0.962521      5.686259
  C      -7.211722      0.301443      6.708463
  S      -6.350917      1.169675      7.988773
  C      -7.153686     -1.095547      6.730209
  C      -0.790830     -5.095251      7.937560
  C      -1.337817     -4.068916      6.942684
  C      -2.836627     -4.106432      6.569658
  C      -3.759892     -4.373533      7.796117
  N      -5.133225     -4.628298      7.293781
  C      -5.862981     -5.687814      7.922843
  C      -5.588429     -7.037446      7.651338
  C      -6.386186     -8.034544      8.213536
  C      -7.459505     -7.705522      9.039698
  C      -7.738767     -6.357523      9.312903
  S      -9.136739     -5.838094     10.254545
  C      -6.924090     -5.354594      8.765652
  H      -2.655685     -0.601531     -0.895747
  H      -2.995616     -0.187685      0.799218
  H      -4.322693     -0.641969     -0.288780
  H      -1.998238     -2.481984      0.558966
  H      -3.336568     -2.972826     -0.486140
  H      -3.818279     -1.891820      2.324712
  H      -5.655721     -3.252551      0.323988
  H      -5.572487     -3.971483      1.897169
  H      -6.210227     -1.848153      2.843261
  H      -6.916237     -1.771544     -0.779715
  H      -7.466401      0.359375     -1.916604
  H      -7.514393      2.497865     -0.664194
  H      -7.293357      3.892074      1.210882
  H      -6.361000      0.379411      2.921508
  H     -10.053620     -7.075115      5.776805
  H      -9.950766     -5.328823      5.488765
  H      -8.948301     -6.078259      6.747625
  H      -8.685499     -6.596558      3.704360
  H      -7.801702     -7.466344      4.972244
  H      -6.784096     -5.444211      5.771228
  H      -8.799285     -4.065104      4.170227
  H      -7.197591     -3.490775      3.743204
  H      -6.903848     -3.541859      6.360712
  H      -8.958264     -1.753506      3.897725
  H      -9.069362      0.715275      3.893917
  H      -7.962931      2.051234      5.659596
  H      -6.741611      2.410686      7.619446
  H      -6.603129     -1.612381      7.522069
  H      -0.957595     -6.136216      7.630995
  H      -1.229915     -4.967345      8.936120
  H       0.294549     -4.957644      8.041100
  H      -1.156899     -3.064965      7.358560
  H      -0.759406     -4.097450      6.005707
  H      -3.072489     -3.096624      6.210742
  H      -3.393607     -5.219238      8.400360
  H      -3.736433     -3.470288      8.425688
  H      -4.848332     -4.919610      6.351750
  H      -4.761117     -7.296610      6.989021
  H      -6.178119     -9.084655      8.000614
  H      -8.087949     -8.492237      9.458815
  H      -9.559722     -7.076768     10.596644
  H      -7.146791     -4.300476      8.941133
  N      -4.971200     -2.984569      4.534877
  H      -5.327426     -2.168673      5.052485
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.667669120577
  N      -3.321081     -3.908514      2.332976
  C      -2.762205     -4.941010      1.452124
  C      -2.404033     -6.154122      2.283773
  N      -3.556036     -6.490965      3.154753
  C      -4.663631     -7.128482      2.418889
  C      -5.948480     -6.960428      3.208058
  N      -5.979186     -5.657840      3.872419
  Mo     -4.366964     -4.488445      3.917037
  N      -3.165417     -4.989332      5.404750
  C      -2.504110     -6.297713      5.380960
  C      -3.157785     -7.235142      4.371570
  H      -2.565708     -6.773599      6.373723
  H      -1.429604     -6.168327      5.162377
  H      -4.069581     -7.670124      4.801864
  H      -2.476933     -8.065074      4.116119
  H      -6.806069     -7.060732      2.523864
  H      -6.049571     -7.771179      3.950474
  H      -4.744504     -6.630709      1.443375
  H      -4.448109     -8.195299      2.237086
  H      -1.853703     -4.576935      0.946207
  H      -3.479279     -5.200407      0.651581
  H      -1.557090     -5.910731      2.939935
  H      -2.113678     -7.012948      1.655405
  C      -3.267388     -0.845695      0.005244
  C      -3.058990     -2.309853      0.391882
  C      -3.878238     -2.723740      1.620740
  C      -5.404721     -2.989573      1.346825
  N      -6.338634     -2.001521      1.827693
  C      -6.591011     -0.810857      1.128587
  C      -6.882783     -0.812924     -0.247109
  C      -7.197606      0.385394     -0.884832
  C      -7.250173      1.592254     -0.185088
  C      -6.968600      1.594062      1.188682
  S      -7.021999      3.057927      2.182909
  C      -6.624577      0.400297      1.834036
  C      -9.361489     -6.248203      5.746308
  C      -8.266727     -6.507416      4.707179
  C      -7.180794     -5.418011      4.750221
  C      -7.770504     -4.013270      4.545856
  N      -7.695033     -3.251042      5.788713
  C      -7.772226     -1.863232      5.721815
  C      -8.470230     -1.196535      4.695644
  C      -8.520067      0.198314      4.689585
  C      -7.873217      0.958548      5.661955
  C      -7.160822      0.298475      6.677345
  S      -6.276347      1.167691      7.941037
  C      -7.112647     -1.098900      6.707155
  C      -0.769072     -5.067436      7.906106
  C      -1.349099     -4.042864      6.928210
  C      -2.851750     -4.108486      6.575084
  C      -3.754069     -4.406608      7.808154
  N      -5.132067     -4.658892      7.316820
  C      -5.864660     -5.714325      7.949574
  C      -5.595664     -7.064862      7.677598
  C      -6.400502     -8.058654      8.236034
  C      -7.474383     -7.724883      9.059752
  C      -7.746736     -6.375614      9.334632
  S      -9.141575     -5.850943     10.278669
  C      -6.926255     -5.376205      8.789919
  H      -2.628791     -0.583663     -0.849518
  H      -3.005819     -0.178436      0.839858
  H      -4.307605     -0.635235     -0.277103
  H      -1.991396     -2.467448      0.611044
  H      -3.306480     -2.960403     -0.462839
  H      -3.840477     -1.895615      2.345846
  H      -5.648749     -3.208436      0.296313
  H      -5.611305     -3.958831      1.864583
  H      -6.228863     -1.826867      2.827742
  H      -6.877159     -1.747327     -0.809104
  H      -7.424254      0.379681     -1.952571
  H      -7.512301      2.517042     -0.699893
  H      -7.331744      3.911942      1.180499
  H      -6.397077      0.404987      2.902008
  H     -10.058147     -7.097336      5.771651
  H      -9.945759     -5.345078      5.525194
  H      -8.936622     -6.131637      6.755598
  H      -8.704334     -6.581046      3.698264
  H      -7.813757     -7.481984      4.939577
  H      -6.795021     -5.464320      5.778771
  H      -8.812773     -4.082215      4.196266
  H      -7.220871     -3.504348      3.737799
  H      -6.908313     -3.554533      6.374294
  H      -8.973498     -1.760870      3.911655
  H      -9.063362      0.708634      3.892152
  H      -7.915287      2.047525      5.628963
  H      -6.653763      2.410214      7.562668
  H      -6.558199     -1.614927      7.496962
  H      -0.916548     -6.108613      7.590321
  H      -1.200366     -4.959943      8.910649
  H       0.314233     -4.907510      8.000430
  H      -1.183598     -3.039563      7.352363
  H      -0.782832     -4.050120      5.983347
  H      -3.116021     -3.101482      6.229096
  H      -3.374177     -5.261265      8.391411
  H      -3.727118     -3.515485      8.454780
  H      -4.860552     -4.954680      6.372201
  H      -4.766842     -7.328132      7.018562
  H      -6.197088     -9.109780      8.022895
  H      -8.108404     -8.508843      9.475947
  H      -9.572990     -7.088608     10.614097
  H      -7.143144     -4.321160      8.967163
  N      -4.994158     -2.987424      4.538132
  H      -5.356750     -2.171277      5.050910
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.670835837477
  N      -3.341401     -3.928444      2.317407
  C      -2.768145     -4.958426      1.446424
  C      -2.400843     -6.162228      2.290018
  N      -3.550757     -6.496159      3.163135
  C      -4.659295     -7.134226      2.427742
  C      -5.944450     -6.969138      3.216727
  N      -5.985535     -5.664074      3.875706
  Mo     -4.368407     -4.496741      3.916765
  N      -3.168906     -4.994772      5.405559
  C      -2.501496     -6.298923      5.387912
  C      -3.154530     -7.238939      4.381327
  H      -2.562366     -6.771183      6.382655
  H      -1.427424     -6.166703      5.169311
  H      -4.067410     -7.669368      4.813496
  H      -2.476474     -8.072209      4.129627
  H      -6.800385     -7.078325      2.531280
  H      -6.040259     -7.778067      3.961985
  H      -4.745763     -6.634473      1.453629
  H      -4.443443     -8.200543      2.243634
  H      -1.862767     -4.587430      0.940897
  H      -3.480475     -5.232346      0.646073
  H      -1.554854     -5.909101      2.943469
  H      -2.108604     -7.023983      1.666709
  C      -3.245917     -0.845012      0.017311
  C      -3.040995     -2.310689      0.399274
  C      -3.880880     -2.735176      1.611004
  C      -5.402096     -2.985790      1.309660
  N      -6.328885     -1.990821      1.794720
  C      -6.587403     -0.797050      1.107798
  C      -6.871065     -0.780281     -0.269999
  C      -7.193034      0.424548     -0.891724
  C      -7.260167      1.620625     -0.175596
  C      -6.985180      1.604513      1.199389
  S      -7.055301      3.054382      2.213508
  C      -6.634348      0.405196      1.829436
  C      -9.369727     -6.261893      5.734284
  C      -8.278717     -6.510955      4.688897
  C      -7.190924     -5.425406      4.748357
  C      -7.786214     -4.020475      4.542600
  N      -7.703733     -3.251943      5.785587
  C      -7.772579     -1.865255      5.722071
  C      -8.478929     -1.196686      4.702588
  C      -8.521825      0.197786      4.694910
  C      -7.859878      0.956422      5.658558
  C      -7.140176      0.295013      6.667106
  S      -6.239067      1.162072      7.920244
  C      -7.098353     -1.103086      6.699309
  C      -0.758241     -5.038178      7.888819
  C      -1.356992     -4.020074      6.915161
  C      -2.859762     -4.109809      6.569728
  C      -3.749943     -4.424012      7.806328
  N      -5.127952     -4.676944      7.321033
  C      -5.858479     -5.726566      7.968546
  C      -5.588084     -7.080201      7.715063
  C      -6.396897     -8.066736      8.280623
  C      -7.475703     -7.723312      9.093755
  C      -7.749052     -6.371128      9.351453
  S      -9.148443     -5.834068     10.281749
  C      -6.925055     -5.378508      8.798967
  H      -2.591874     -0.576697     -0.823494
  H      -3.002801     -0.182008      0.860682
  H      -4.280923     -0.635640     -0.283476
  H      -1.977607     -2.467328      0.638318
  H      -3.271797     -2.956088     -0.464052
  H      -3.847877     -1.914677      2.344354
  H      -5.629334     -3.173894      0.250135
  H      -5.637861     -3.953161      1.804955
  H      -6.227116     -1.829958      2.797142
  H      -6.855536     -1.705831     -0.846029
  H      -7.413683      0.431393     -1.960582
  H      -7.527786      2.550333     -0.678204
  H      -7.368643      3.919133      1.221575
  H      -6.409652      0.397356      2.898327
  H     -10.074391     -7.104406      5.746134
  H      -9.945714     -5.349063      5.531558
  H      -8.940766     -6.167359      6.743807
  H      -8.716503     -6.564732      3.678877
  H      -7.832750     -7.492252      4.904614
  H      -6.810881     -5.472815      5.778738
  H      -8.831250     -4.094376      4.203022
  H      -7.242417     -3.512157      3.729689
  H      -6.930821     -3.571521      6.377427
  H      -8.995530     -1.762675      3.928429
  H      -9.072165      0.709294      3.903369
  H      -7.896712      2.045358      5.623538
  H      -6.606296      2.406122      7.537086
  H      -6.540398     -1.620026      7.485347
  H      -0.890444     -6.079985      7.569577
  H      -1.190007     -4.939692      8.893971
  H       0.322334     -4.860893      7.981595
  H      -1.206393     -3.015497      7.341307
  H      -0.795586     -4.016918      5.967310
  H      -3.146220     -3.107173      6.228176
  H      -3.360966     -5.282149      8.378875
  H      -3.720646     -3.540052      8.462396
  H      -4.865329     -4.987720      6.377374
  H      -4.755059     -7.353017      7.065174
  H      -6.192126     -9.120101      8.081125
  H      -8.112840     -8.502056      9.514593
  H      -9.585550     -7.067043     10.626802
  H      -7.142267     -4.321150      8.961453
  N      -5.002745     -3.000213      4.538858
  H      -5.374580     -2.173428      5.029363
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.673711216010
  N      -3.371232     -3.933049      2.319590
  C      -2.779180     -4.952091      1.450614
  C      -2.402770     -6.152004      2.294675
  N      -3.550256     -6.492170      3.167350
  C      -4.657331     -7.132223      2.432230
  C      -5.939339     -6.978524      3.227098
  N      -5.989169     -5.671629      3.880335
  Mo     -4.378985     -4.500864      3.923421
  N      -3.177019     -4.998914      5.408176
  C      -2.499356     -6.296597      5.387146
  C      -3.150946     -7.237299      4.382072
  H      -2.553887     -6.770633      6.381532
  H      -1.426729     -6.156611      5.165455
  H      -4.062389     -7.669314      4.815623
  H      -2.472501     -8.069528      4.127649
  H      -6.797145     -7.098947      2.545902
  H      -6.023926     -7.786224      3.975286
  H      -4.750822     -6.627640      1.461290
  H      -4.436217     -8.196284      2.240891
  H      -1.875884     -4.567921      0.951368
  H      -3.482744     -5.234200      0.645123
  H      -1.558631     -5.891686      2.947653
  H      -2.105105     -7.012970      1.672702
  C      -3.246287     -0.828559      0.048920
  C      -3.034632     -2.293939      0.427742
  C      -3.895076     -2.730426      1.620557
  C      -5.412489     -2.969101      1.290413
  N      -6.334253     -1.968294      1.775663
  C      -6.591400     -0.776141      1.087450
  C      -6.853536     -0.757846     -0.294624
  C      -7.174364      0.446619     -0.918064
  C      -7.260230      1.640769     -0.200784
  C      -7.004475      1.623223      1.178039
  S      -7.096037      3.070966      2.193940
  C      -6.655160      0.424937      1.810330
  C      -9.363430     -6.292684      5.744578
  C      -8.283141     -6.523062      4.683548
  C      -7.194645     -5.438736      4.753401
  C      -7.792180     -4.034160      4.550473
  N      -7.694070     -3.258421      5.785945
  C      -7.752027     -1.872157      5.715264
  C      -8.469985     -1.204665      4.702729
  C      -8.502298      0.189921      4.686814
  C      -7.819388      0.949930      5.635027
  C      -7.089639      0.289560      6.636801
  S      -6.164789      1.156998      7.872258
  C      -7.057417     -1.108702      6.677117
  C      -0.742958     -5.013536      7.863881
  C      -1.370555     -3.998033      6.905871
  C      -2.874328     -4.115515      6.574051
  C      -3.747677     -4.460925      7.812293
  N      -5.128261     -4.710580      7.334062
  C      -5.865490     -5.751165      7.989026
  C      -5.603713     -7.107886      7.743472
  C      -6.421649     -8.085502      8.311752
  C      -7.499773     -7.729815      9.120472
  C      -7.763197     -6.374331      9.371210
  S      -9.157271     -5.822783     10.301454
  C      -6.931619     -5.390707      8.814423
  H      -2.577949     -0.548829     -0.776818
  H      -3.028021     -0.167371      0.900553
  H      -4.277204     -0.627930     -0.272032
  H      -1.974885     -2.442274      0.687904
  H      -3.242290     -2.937198     -0.443066
  H      -3.871678     -1.918212      2.363141
  H      -5.620094     -3.132330      0.223020
  H      -5.669326     -3.940166      1.768904
  H      -6.244940     -1.813328      2.779909
  H      -6.824340     -1.681024     -0.873876
  H      -7.378962      0.454490     -1.990174
  H      -7.526576      2.569816     -0.705344
  H      -7.401179      3.935890      1.199566
  H      -6.442206      0.416067      2.881455
  H     -10.072805     -7.131362      5.744785
  H      -9.936101     -5.372408      5.567979
  H      -8.924227     -6.222860      6.752095
  H      -8.730353     -6.555584      3.676572
  H      -7.837230     -7.509328      4.875172
  H      -6.818619     -5.491186      5.785734
  H      -8.842753     -4.112416      4.229503
  H      -7.262468     -3.529729      3.725533
  H      -6.930709     -3.583465      6.387225
  H      -9.006388     -1.771250      3.942520
  H      -9.062131      0.701003      3.901558
  H      -7.848732      2.038889      5.593280
  H      -6.518920      2.401972      7.479737
  H      -6.494293     -1.625045      7.459732
  H      -0.855219     -6.054421      7.533935
  H      -1.169701     -4.935664      8.873050
  H       0.334278     -4.814458      7.951779
  H      -1.236475     -2.994936      7.340988
  H      -0.818517     -3.974597      5.952744
  H      -3.186480     -3.116879      6.244392
  H      -3.347129     -5.328761      8.362515
  H      -3.717041     -3.591375      8.487293
  H      -4.879014     -5.029952      6.390067
  H      -4.769460     -7.391400      7.099618
  H      -6.223933     -9.141488      8.118858
  H      -8.143595     -8.501684      9.543904
  H      -9.604847     -7.051310     10.649010
  H      -7.140532     -4.330893      8.971906
  N      -5.020627     -3.006981      4.543126
  H      -5.398819     -2.178021      5.024804
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.676310350939
  N      -3.396565     -3.942752      2.314713
  C      -2.788708     -4.953739      1.449283
  C      -2.403463     -6.148810      2.296569
  N      -3.548044     -6.492487      3.170993
  C      -4.655462     -7.133637      2.437042
  C      -5.934717     -6.987839      3.237117
  N      -5.992140     -5.678162      3.883633
  Mo     -4.383476     -4.508329      3.926630
  N      -3.179896     -5.005644      5.408248
  C      -2.493172     -6.297780      5.385984
  C      -3.145234     -7.239618      4.383118
  H      -2.541586     -6.772058      6.380524
  H      -1.422057     -6.152006      5.160571
  H      -4.055302     -7.671549      4.819548
  H      -2.467854     -8.071848      4.125933
  H      -6.793925     -7.119392      2.559781
  H      -6.009322     -7.793146      3.989195
  H      -4.755370     -6.625090      1.468877
  H      -4.431313     -8.195997      2.239730
  H      -1.887610     -4.559334      0.954227
  H      -3.484731     -5.244472      0.640119
  H      -1.560351     -5.880954      2.947729
  H      -2.101849     -7.010168      1.677009
  C      -3.238538     -0.817344      0.075376
  C      -3.023264     -2.282984      0.450442
  C      -3.904762     -2.731013      1.623462
  C      -5.417709     -2.956459      1.265107
  N      -6.335434     -1.950901      1.751383
  C      -6.594111     -0.759171      1.065577
  C      -6.843144     -0.735110     -0.319020
  C      -7.165878      0.470677     -0.939161
  C      -7.265625      1.660883     -0.217290
  C      -7.021586      1.637812      1.163655
  S      -7.129123      3.080476      2.185495
  C      -6.670967      0.438746      1.793109
  C      -9.364039     -6.310616      5.742138
  C      -8.289821     -6.529194      4.672406
  C      -7.199627     -5.447481      4.752887
  C      -7.797765     -4.042879      4.549867
  N      -7.686584     -3.261416      5.779906
  C      -7.738258     -1.875924      5.708944
  C      -8.467550     -1.205821      4.705818
  C      -8.494500      0.188718      4.689888
  C      -7.795175      0.946717      5.627995
  C      -7.054202      0.284076      6.619723
  S      -6.110313      1.147743      7.843102
  C      -7.026835     -1.114464      6.660233
  C      -0.730091     -4.986698      7.845969
  C      -1.382736     -3.977184      6.898396
  C      -2.885754     -4.122138      6.574984
  C      -3.745369     -4.494057      7.812939
  N      -5.127043     -4.742814      7.340966
  C      -5.868156     -5.773011      8.009017
  C      -5.610711     -7.133202      7.779194
  C      -6.434919     -8.101129      8.355185
  C      -7.514180     -7.732325      9.156513
  C      -7.772485     -6.373244      9.392536
  S      -9.165837     -5.806468     10.315049
  C      -6.935438     -5.399205      8.827020
  H      -2.554921     -0.526983     -0.733976
  H      -3.045303     -0.159235      0.935436
  H      -4.264018     -0.623648     -0.266575
  H      -1.968066     -2.425305      0.732315
  H      -3.208323     -2.922844     -0.427936
  H      -3.889675     -1.927542      2.375346
  H      -5.605570     -3.094827      0.190792
  H      -5.694818     -3.929510      1.724913
  H      -6.256787     -1.802880      2.757333
  H      -6.804313     -1.654474     -0.903723
  H      -7.360735      0.482408     -2.013077
  H      -7.533238      2.590734     -0.719676
  H      -7.431975      3.948304      1.192985
  H      -6.465248      0.425799      2.865589
  H     -10.079985     -7.143580      5.731324
  H      -9.930107     -5.382896      5.584176
  H      -8.919458     -6.261236      6.748404
  H      -8.742123     -6.544129      3.667185
  H      -7.846529     -7.519800      4.846128
  H      -6.830507     -5.502371      5.787898
  H      -8.852476     -4.124773      4.243591
  H      -7.278040     -3.542344      3.715939
  H      -6.931949     -3.594231      6.387648
  H      -9.019528     -1.770578      3.955420
  H      -9.064113      0.701962      3.913098
  H      -7.821107      2.035760      5.585940
  H      -6.455516      2.394365      7.447920
  H      -6.457033     -1.632810      7.436745
  H      -0.821517     -6.026985      7.507919
  H      -1.154994     -4.925925      8.857153
  H       0.343020     -4.765752      7.932124
  H      -1.266084     -2.974724      7.339940
  H      -0.837140     -3.937035      5.942076
  H      -3.221184     -3.128442      6.253810
  H      -3.334277     -5.369663      8.343575
  H      -3.714789     -3.637662      8.504555
  H      -4.890598     -5.074672      6.397465
  H      -4.774312     -7.428266      7.143078
  H      -6.241023     -9.159960      8.174399
  H      -8.162816     -8.497019      9.585608
  H      -9.620749     -7.029705     10.671551
  H      -7.140115     -4.336842      8.972488
  N      -5.030230     -3.016783      4.544902
  H      -5.413549     -2.182747      5.014052
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.678644584683
  N      -3.420289     -3.949656      2.310054
  C      -2.797684     -4.953056      1.447870
  C      -2.403541     -6.143660      2.297816
  N      -3.544510     -6.491756      3.174735
  C      -4.652035     -7.135008      2.442484
  C      -5.927768     -6.997674      3.248799
  N      -5.993451     -5.684700      3.887710
  Mo     -4.386140     -4.514878      3.930409
  N      -3.180031     -5.010958      5.408489
  C      -2.483670     -6.297237      5.384328
  C      -3.136237     -7.240761      4.383959
  H      -2.524708     -6.771753      6.379085
  H      -1.414445     -6.144983      5.154141
  H      -4.043880     -7.673950      4.824288
  H      -2.459142     -8.071958      4.122900
  H      -6.788940     -7.141961      2.576628
  H      -5.990388     -7.799683      4.005771
  H      -4.759090     -6.622663      1.477116
  H      -4.424132     -8.195488      2.239328
  H      -1.898699     -4.548962      0.957047
  H      -3.486257     -5.251394      0.634935
  H      -1.561171     -5.868358      2.946779
  H      -2.097918     -7.005182      1.680478
  C      -3.239319     -0.804312      0.099635
  C      -3.015352     -2.269095      0.472612
  C      -3.914814     -2.729417      1.626861
  C      -5.422658     -2.942947      1.241916
  N      -6.337858     -1.934088      1.728266
  C      -6.598468     -0.742837      1.044330
  C      -6.833646     -0.713813     -0.342768
  C      -7.158224      0.492744     -0.960591
  C      -7.272860      1.679247     -0.234917
  C      -7.041580      1.651496      1.148180
  S      -7.166444      3.089349      2.174973
  C      -6.689378      0.452148      1.775718
  C      -9.360987     -6.332466      5.744215
  C      -8.293932     -6.536935      4.664334
  C      -7.202599     -5.456883      4.754141
  C      -7.801431     -4.052044      4.552832
  N      -7.675287     -3.264817      5.777171
  C      -7.721394     -1.880283      5.704794
  C      -8.461032     -1.208758      4.710034
  C      -8.481385      0.185751      4.691373
  C      -7.765949      0.942751      5.618293
  C      -7.014593      0.278944      6.601207
  S      -6.051340      1.140155      7.810811
  C      -6.992741     -1.119731      6.643967
  C      -0.721263     -4.965734      7.832978
  C      -1.395381     -3.959560      6.897068
  C      -2.896390     -4.129395      6.578279
  C      -3.744717     -4.529159      7.812728
  N      -5.127046     -4.774395      7.344539
  C      -5.875038     -5.792724      8.023484
  C      -5.626053     -7.156247      7.805119
  C      -6.457327     -8.113809      8.388331
  C      -7.534734     -7.731096      9.185639
  C      -7.784142     -6.368464      9.410492
  S      -9.172171     -5.785267     10.330852
  C      -6.940740     -5.404796      8.836687
  H      -2.543009     -0.502107     -0.694341
  H      -3.072096     -0.147862      0.966405
  H      -4.260098     -0.621308     -0.262026
  H      -1.964401     -2.402425      0.774564
  H      -3.177480     -2.906814     -0.411791
  H      -3.908272     -1.934667      2.387735
  H      -5.590011     -3.059301      0.161876
  H      -5.716654     -3.917683      1.683673
  H      -6.269670     -1.791765      2.735538
  H      -6.784346     -1.629766     -0.931993
  H      -7.342677      0.507773     -2.036307
  H      -7.541768      2.609484     -0.735831
  H      -7.466800      3.959513      1.183787
  H      -6.491613      0.436008      2.849697
  H     -10.082411     -7.160395      5.722388
  H      -9.921704     -5.398256      5.606436
  H      -8.910264     -6.303999      6.748693
  H      -8.753072     -6.534771      3.662015
  H      -7.851369     -7.530791      4.819008
  H      -6.839702     -5.515001      5.791568
  H      -8.860370     -4.136964      4.262075
  H      -7.293019     -3.555445      3.709448
  H      -6.927583     -3.604816      6.388988
  H      -9.027613     -1.772314      3.969535
  H      -9.059544      0.700166      3.921702
  H      -7.787756      2.031792      5.574153
  H      -6.386617      2.387834      7.410533
  H      -6.415705     -1.639041      7.414367
  H      -0.792028     -6.003961      7.483612
  H      -1.146280     -4.924472      8.845162
  H       0.347297     -4.724325      7.920640
  H      -1.295714     -2.959245      7.347537
  H      -0.854320     -3.901415      5.939064
  H      -3.252715     -3.140232      6.266251
  H      -3.325237     -5.414039      8.322064
  H      -3.714609     -3.688177      8.522873
  H      -4.904616     -5.119029      6.402615
  H      -4.789957     -7.462623      7.173495
  H      -6.270433     -9.175385      8.216580
  H      -8.188727     -8.487960      9.620457
  H      -9.635872     -7.002784     10.695455
  H      -7.138078     -4.339865      8.973457
  N      -5.037502     -3.025126      4.546716
  H      -5.424675     -2.186336      5.004638
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.680732572012
  N      -3.442213     -3.957049      2.304767
  C      -2.807261     -4.954122      1.445481
  C      -2.404816     -6.140824      2.297514
  N      -3.541408     -6.492621      3.178414
  C      -4.650154     -7.137859      2.449341
  C      -5.921914     -7.007058      3.262268
  N      -5.994898     -5.689907      3.892042
  Mo     -4.386701     -4.521589      3.934545
  N      -3.177327     -5.016244      5.408570
  C      -2.472099     -6.297216      5.381886
  C      -3.126131     -7.242853      4.384680
  H      -2.505045     -6.771640      6.376914
  H      -1.405016     -6.138976      5.145710
  H      -4.030677     -7.677399      4.829935
  H      -2.449395     -8.072858      4.119137
  H      -6.785212     -7.164246      2.595843
  H      -5.972779     -7.804453      4.025278
  H      -4.764527     -6.622126      1.486638
  H      -4.419446     -8.196719      2.240937
  H      -1.910216     -4.541580      0.958207
  H      -3.489449     -5.258780      0.629358
  H      -1.562205     -5.858847      2.943268
  H      -2.096431     -7.002712      1.682068
  C      -3.235441     -0.796656      0.117769
  C      -3.005968     -2.260106      0.492321
  C      -3.922931     -2.728788      1.629049
  C      -5.426080     -2.929369      1.219498
  N      -6.339167     -1.917673      1.705473
  C      -6.603189     -0.727374      1.022988
  C      -6.827930     -0.694669     -0.365915
  C      -7.155735      0.511987     -0.981909
  C      -7.283407      1.695367     -0.253368
  C      -7.061847      1.664157      1.131275
  S      -7.201863      3.097935      2.161884
  C      -6.706756      0.465073      1.757305
  C      -9.363719     -6.345663      5.738250
  C      -8.301119     -6.539217      4.652086
  C      -7.207262     -5.462336      4.752544
  C      -7.804112     -4.056461      4.551791
  N      -7.663528     -3.264977      5.771283
  C      -7.705478     -1.881352      5.700195
  C      -8.455004     -1.206486      4.714958
  C      -8.471255      0.188041      4.697946
  C      -7.742245      0.942241      5.616702
  C      -6.980526      0.275369      6.589410
  S      -6.001189      1.131986      7.788956
  C      -6.962003     -1.123483      6.630199
  C      -0.713278     -4.943349      7.826499
  C      -1.407625     -3.942359      6.899863
  C      -2.905696     -4.137240      6.582400
  C      -3.744623     -4.563470      7.811800
  N      -5.127151     -4.806075      7.347042
  C      -5.879762     -5.813441      8.038226
  C      -5.636852     -7.179726      7.830639
  C      -6.472213     -8.128725      8.421991
  C      -7.547575     -7.734428      9.216489
  C      -7.790841     -6.368915      9.430550
  S      -9.175181     -5.772489     10.348034
  C      -6.943483     -5.413738      8.848168
  H      -2.526726     -0.486342     -0.661894
  H      -3.091849     -0.140178      0.988775
  H      -4.250751     -0.622846     -0.263287
  H      -1.959672     -2.386233      0.813416
  H      -3.147485     -2.897230     -0.396001
  H      -3.922959     -1.942065      2.398011
  H      -5.572589     -3.026252      0.134656
  H      -5.735777     -3.905448      1.644208
  H      -6.280260     -1.780049      2.713804
  H      -6.769500     -1.607943     -0.958442
  H      -7.332286      0.529381     -2.058909
  H      -7.554662      2.625531     -0.753091
  H      -7.502431      3.969494      1.172035
  H      -6.515073      0.446779      2.832400
  H     -10.091766     -7.167310      5.704505
  H      -9.917205     -5.404751      5.617543
  H      -8.910076     -6.337171      6.741686
  H      -8.764487     -6.521173      3.651791
  H      -7.860825     -7.536205      4.790661
  H      -6.853531     -5.523782      5.793172
  H      -8.866735     -4.142562      4.274772
  H      -7.305288     -3.563928      3.700025
  H      -6.922158     -3.612750      6.386070
  H      -9.034105     -1.767289      3.982016
  H      -9.057934      0.704986      3.936470
  H      -7.761927      2.031379      5.574100
  H      -6.328107      2.381218      7.386722
  H      -6.377559     -1.645213      7.393460
  H      -0.761375     -5.979237      7.466571
  H      -1.140213     -4.921272      8.838518
  H       0.349846     -4.680377      7.917989
  H      -1.326076     -2.944187      7.358645
  H      -0.869347     -3.866705      5.941502
  H      -3.281752     -3.152982      6.278432
  H      -3.317870     -5.456932      8.300846
  H      -3.716080     -3.737946      8.539787
  H      -4.919291     -5.163407      6.406407
  H      -4.801823     -7.494827      7.201369
  H      -6.290630     -9.192509      8.258557
  H      -8.205032     -8.484807      9.657273
  H      -9.645011     -6.985165     10.720753
  H      -7.135984     -4.346831      8.976295
  N      -5.040499     -3.032268      4.548187
  H      -5.429281     -2.188571      4.996240
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.682586971569
  N      -3.462984     -3.962498      2.298764
  C      -2.817256     -4.954131      1.441847
  C      -2.405819     -6.137122      2.295327
  N      -3.536873     -6.493223      3.181428
  C      -4.647037     -7.141480      2.456799
  C      -5.914127     -7.016999      3.277339
  N      -5.995099     -5.695113      3.896895
  Mo     -4.385609     -4.527184      3.938915
  N      -3.171737     -5.019743      5.408265
  C      -2.457351     -6.295379      5.378202
  C      -3.112697     -7.243763      4.384553
  H      -2.481333     -6.769849      6.373419
  H      -1.392744     -6.130560      5.135233
  H      -4.013365     -7.680631      4.835245
  H      -2.435511     -8.071771      4.114161
  H      -6.779837     -7.188256      2.617719
  H      -5.951933     -7.808801      4.047249
  H      -4.769848     -6.622861      1.496670
  H      -4.413261     -8.198715      2.243642
  H      -1.922413     -4.533810      0.957364
  H      -3.494116     -5.264543      0.623328
  H      -1.562295     -5.848570      2.936990
  H      -2.095154     -6.999113      1.681189
  C      -3.237414     -0.787954      0.131907
  C      -3.000182     -2.249417      0.509259
  C      -3.931251     -2.726442      1.630582
  C      -5.429577     -2.914688      1.198615
  N      -6.340827     -1.900910      1.684054
  C      -6.608250     -0.711634      1.002664
  C      -6.821799     -0.676062     -0.388076
  C      -7.152682      0.530202     -1.003220
  C      -7.294216      1.710695     -0.272597
  C      -7.083315      1.676838      1.113661
  S      -7.239775      3.106931      2.147090
  C      -6.725240      0.478511      1.739172
  C      -9.364107     -6.360990      5.734348
  C      -8.306728     -6.541978      4.640907
  C      -7.210528     -5.468100      4.752048
  C      -7.805392     -4.060958      4.553351
  N      -7.650023     -3.265648      5.768277
  C      -7.688308     -1.882947      5.697897
  C      -8.445126     -1.205800      4.719758
  C      -8.456580      0.188743      4.702333
  C      -7.716221      0.940997      5.613696
  C      -6.946919      0.272003      6.578882
  S      -5.954182      1.125354      7.769405
  C      -6.932106     -1.126948      6.619443
  C      -0.709452     -4.927762      7.824584
  C      -1.419733     -3.928724      6.908102
  C      -2.913896     -4.145536      6.587995
  C      -3.746292     -4.598037      7.809922
  N      -5.128800     -4.836705      7.346699
  C      -5.887231     -5.832593      8.049206
  C      -5.652010     -7.201716      7.851163
  C      -6.491290     -8.141708      8.451178
  C      -7.562900     -7.735179      9.244631
  C      -7.798384     -6.366795      9.448873
  S      -9.176146     -5.756259     10.366831
  C      -6.947261     -5.420522      8.857318
  H      -2.519074     -0.470039     -0.635736
  H      -3.115003     -0.130362      1.005330
  H      -4.248116     -0.624282     -0.265769
  H      -1.957981     -2.367180      0.846689
  H      -3.123067     -2.886824     -0.381601
  H      -3.936852     -1.947432      2.407182
  H      -5.554895     -2.993956      0.109863
  H      -5.752966     -3.892103      1.606830
  H      -6.290636     -1.767607      2.693310
  H      -6.753512     -1.587169     -0.982885
  H      -7.320676      0.549376     -2.081557
  H      -7.567746      2.640422     -0.771850
  H      -7.540518      3.979124      1.157884
  H      -6.540490      0.458983      2.815471
  H     -10.098320     -7.176500      5.688487
  H      -9.911069     -5.413973      5.632475
  H      -8.906869     -6.373442      6.736270
  H      -8.774972     -6.508011      3.643223
  H      -7.867923     -7.541602      4.762612
  H      -6.865447     -5.533938      5.795702
  H      -8.871530     -4.147308      4.290034
  H      -7.316555     -3.572017      3.693481
  H      -6.914347     -3.620849      6.385250
  H      -9.034237     -1.764658      3.993245
  H      -9.049361      0.707340      3.946723
  H      -7.733260      2.030185      5.571259
  H      -6.271391      2.375558      7.362525
  H      -6.341744     -1.650204      7.377078
  H      -0.735701     -5.959624      7.450882
  H      -1.140624     -4.927187      8.835095
  H       0.347978     -4.645349      7.923694
  H      -1.355565     -2.934244      7.377574
  H      -0.882142     -3.834352      5.951013
  H      -3.307361     -3.165643      6.292515
  H      -3.314293     -5.500034      8.279416
  H      -3.719954     -3.788757      8.555840
  H      -4.936359     -5.206187      6.407981
  H      -4.819255     -7.525255      7.222716
  H      -6.316176     -9.207701      8.295385
  H      -8.223546     -8.478584      9.692424
  H      -9.652342     -6.963660     10.748446
  H      -7.133613     -4.351631      8.978039
  N      -5.041211     -3.037907      4.549271
  H      -5.430232     -2.189623      4.988922
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.684221686094
  N      -3.482403     -3.968345      2.291652
  C      -2.827986     -4.955477      1.436305
  C      -2.407632     -6.135385      2.290218
  N      -3.532205     -6.495438      3.182922
  C      -4.644724     -7.146917      2.464465
  C      -5.906701     -7.026956      3.292992
  N      -5.995069     -5.699629      3.900880
  Mo     -4.383015     -4.532530      3.942746
  N      -3.163683     -5.022780      5.406772
  C      -2.440979     -6.293839      5.372660
  C      -3.097925     -7.245254      4.382984
  H      -2.456084     -6.768543      6.367821
  H      -1.378984     -6.122877      5.122437
  H      -3.994377     -7.684618      4.839546
  H      -2.420013     -8.071064      4.107827
  H      -6.774780     -7.212321      2.640557
  H      -5.931976     -7.812029      4.070617
  H      -4.776337     -6.626168      1.506640
  H      -4.408759     -8.202854      2.247409
  H      -1.935428     -4.528255      0.953708
  H      -3.500906     -5.270670      0.616286
  H      -1.562210     -5.841126      2.926809
  H      -2.095915     -6.997370      1.676582
  C      -3.232631     -0.783594      0.140658
  C      -2.992949     -2.243351      0.522829
  C      -3.938045     -2.724826      1.630205
  C      -5.432421     -2.899761      1.178025
  N      -6.341252     -1.883803      1.663339
  C      -6.613213     -0.695809      0.982946
  C      -6.819075     -0.658260     -0.409055
  C      -7.154219      0.547241     -1.023410
  C      -7.307461      1.725262     -0.291188
  C      -7.104116      1.689499      1.096166
  S      -7.274519      3.116444      2.131832
  C      -6.741993      0.492228      1.721178
  C      -9.368798     -6.371099      5.722353
  C      -8.314245     -6.541654      4.624668
  C      -7.214956     -5.471896      4.748245
  C      -7.805889     -4.062901      4.551515
  N      -7.636661     -3.265475      5.762793
  C      -7.672634     -1.883512      5.695491
  C      -8.434986     -1.202757      4.724033
  C      -8.444310      0.191853      4.710114
  C      -7.696577      0.940920      5.618154
  C      -6.921348      0.268460      6.576158
  S      -5.920677      1.117195      7.763127
  C      -6.907990     -1.130636      6.612899
  C      -0.706465     -4.913208      7.826473
  C      -1.431058     -3.916492      6.918709
  C      -2.920746     -4.154327      6.593247
  C      -3.748264     -4.631280      7.806890
  N      -5.130862     -4.866497      7.345475
  C      -5.893087     -5.850968      8.061306
  C      -5.662631     -7.222690      7.875752
  C      -6.503552     -8.154145      8.486524
  C      -7.572133     -7.735957      9.278157
  C      -7.802660     -6.364920      9.469822
  S      -9.175614     -5.741225     10.386136
  C      -6.949775     -5.426999      8.867254
  H      -2.504400     -0.462316     -0.616174
  H      -3.127182     -0.124097      1.014891
  H      -4.237971     -0.626085     -0.272651
  H      -1.955103     -2.355678      0.875447
  H      -3.100149     -2.881925     -0.369238
  H      -3.947031     -1.952742      2.413534
  H      -5.536748     -2.963070      0.086158
  H      -5.768898     -3.878285      1.570740
  H      -6.298025     -1.754468      2.673367
  H      -6.742526     -1.567722     -1.005356
  H      -7.316218      0.567622     -2.102647
  H      -7.584119      2.654315     -0.789950
  H      -7.578171      3.988537      1.143450
  H      -6.562351      0.472023      2.798329
  H     -10.109725     -7.179693      5.663885
  H      -9.908318     -5.418102      5.637113
  H      -8.910333     -6.403517      6.723251
  H      -8.784779     -6.492563      3.628631
  H      -7.878134     -7.543949      4.731832
  H      -6.880656     -5.542796      5.795353
  H      -8.875141     -4.147679      4.300305
  H      -7.325394     -3.577334      3.684728
  H      -6.906415     -3.627924      6.381798
  H      -9.031005     -1.758729      4.000925
  H      -9.042186      0.713064      3.960322
  H      -7.712960      2.030253      5.579054
  H      -6.229332      2.368771      7.353931
  H      -6.313367     -1.656444      7.365523
  H      -0.709937     -5.940225      7.438844
  H      -1.143419     -4.934570      8.834303
  H       0.344590     -4.611378      7.935628
  H      -1.384483     -2.926016      7.398675
  H      -0.892830     -3.803609      5.963994
  H      -3.330335     -3.178852      6.305477
  H      -3.311931     -5.540630      8.258738
  H      -3.724537     -3.837490      8.569281
  H      -4.954398     -5.247561      6.408286
  H      -4.831423     -7.553580      7.248747
  H      -6.332675     -9.222207      8.340643
  H      -8.234361     -8.472724      9.734523
  H      -9.655827     -6.943379     10.779095
  H      -7.132377     -4.356401      8.978298
  N      -5.038844     -3.042201      4.548933
  H      -5.426163     -2.189318      4.981568
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.686710189031
  N      -3.523524     -3.982279      2.270169
  C      -2.848824     -4.957220      1.418091
  C      -2.402628     -6.126300      2.275220
  N      -3.513492     -6.497666      3.178856
  C      -4.626111     -7.161032      2.469059
  C      -5.885476     -7.052089      3.303857
  N      -5.993591     -5.718212      3.897005
  Mo     -4.385766     -4.545604      3.939884
  N      -3.153843     -5.028583      5.394147
  C      -2.409397     -6.286892      5.356059
  C      -3.060086     -7.245359      4.372148
  H      -2.409922     -6.762164      6.350970
  H      -1.351880     -6.099347      5.097505
  H      -3.947355     -7.695050      4.836257
  H      -2.375578     -8.062746      4.089308
  H      -6.752532     -7.259543      2.657764
  H      -5.893442     -7.828999      4.089865
  H      -4.771264     -6.640253      1.513370
  H      -4.381274     -8.214278      2.248718
  H      -1.964150     -4.512738      0.936197
  H      -3.514897     -5.286999      0.598087
  H      -1.556078     -5.815015      2.902845
  H      -2.083347     -6.987145      1.663738
  C      -3.229421     -0.769301      0.161647
  C      -2.991728     -2.232997      0.541677
  C      -3.961332     -2.727613      1.621275
  C      -5.445818     -2.879614      1.127814
  N      -6.351684     -1.862062      1.612733
  C      -6.614575     -0.667734      0.942220
  C      -6.793296     -0.608004     -0.455517
  C      -7.120486      0.604535     -1.060196
  C      -7.292167      1.768632     -0.313809
  C      -7.114693      1.711564      1.078745
  S      -7.308215      3.120128      2.133135
  C      -6.760396      0.507969      1.694861
  C      -9.380783     -6.406886      5.666249
  C      -8.325050     -6.554990      4.573597
  C      -7.217719     -5.491892      4.730805
  C      -7.795404     -4.075700      4.542487
  N      -7.619109     -3.281681      5.758248
  C      -7.658604     -1.902032      5.699857
  C      -8.424312     -1.220355      4.727117
  C      -8.442538      0.169922      4.718291
  C      -7.701549      0.915034      5.632664
  C      -6.923203      0.242630      6.592351
  S      -5.932113      1.085856      7.789655
  C      -6.899576     -1.152495      6.623552
  C      -0.704933     -4.896120      7.811840
  C      -1.452401     -3.903149      6.922342
  C      -2.933482     -4.172351      6.590931
  C      -3.749868     -4.688965      7.790855
  N      -5.135400     -4.921237      7.337702
  C      -5.912937     -5.873096      8.088939
  C      -5.720307     -7.255284      7.924250
  C      -6.566803     -8.154050      8.573516
  C      -7.597125     -7.692220      9.389013
  C      -7.787025     -6.309967      9.564514
  S      -9.096766     -5.631896     10.525272
  C      -6.935958     -5.405441      8.914808
  H      -2.485841     -0.437172     -0.574240
  H      -3.148027     -0.114635      1.040713
  H      -4.225459     -0.614425     -0.275918
  H      -1.961943     -2.343555      0.919714
  H      -3.076392     -2.865597     -0.356139
  H      -3.980537     -1.968487      2.416630
  H      -5.503930     -2.909245      0.028564
  H      -5.807453     -3.858495      1.489053
  H      -6.328469     -1.751709      2.627902
  H      -6.703654     -1.506887     -1.064436
  H      -7.261631      0.640942     -2.143788
  H      -7.562519      2.702898     -0.805414
  H      -7.599400      4.004935      1.150605
  H      -6.598224      0.473236      2.776518
  H     -10.134493     -7.203414      5.582404
  H      -9.903102     -5.446646      5.606918
  H      -8.924776     -6.474731      6.663139
  H      -8.790338     -6.477166      3.577398
  H      -7.899784     -7.561799      4.657261
  H      -6.900027     -5.577630      5.785885
  H      -8.863112     -4.156787      4.298045
  H      -7.319764     -3.588779      3.678485
  H      -6.899296     -3.651410      6.388815
  H      -9.016724     -1.772918      4.000051
  H      -9.043395      0.690740      3.967689
  H      -7.726459      2.000891      5.597823
  H      -6.237700      2.330409      7.373071
  H      -6.303642     -1.677982      7.377832
  H      -0.677081     -5.913312      7.400274
  H      -1.145803     -4.951219      8.817062
  H       0.335655     -4.566614      7.933354
  H      -1.431421     -2.920913      7.421272
  H      -0.916860     -3.760784      5.970661
  H      -3.367529     -3.204341      6.319797
  H      -3.305136     -5.603581      8.220593
  H      -3.727866     -3.915300      8.572486
  H      -4.991291     -5.327740      6.402712
  H      -4.913194     -7.618537      7.282614
  H      -6.426583     -9.230653      8.442765
  H      -8.258244     -8.404062      9.879181
  H      -9.588357     -6.815517     10.952681
  H      -7.085830     -4.326805      9.011391
  N      -5.024140     -3.051353      4.548193
  H      -5.400488     -2.187535      4.969066
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.687729683413
  N      -3.549774     -3.995173      2.259687
  C      -2.852690     -4.958798      1.410905
  C      -2.388851     -6.117218      2.270496
  N      -3.490966     -6.498213      3.178171
  C      -4.601662     -7.172652      2.471667
  C      -5.864628     -7.073719      3.305012
  N      -5.995614     -5.735128      3.886483
  Mo     -4.391442     -4.556800      3.939251
  N      -3.149719     -5.031922      5.387278
  C      -2.384162     -6.276515      5.347593
  C      -3.023881     -7.242035      4.367079
  H      -2.374202     -6.752027      6.341809
  H      -1.330451     -6.072155      5.086049
  H      -3.903604     -7.702900      4.834328
  H      -2.330454     -8.050509      4.080055
  H      -6.726814     -7.299901      2.659759
  H      -5.861134     -7.844236      4.097309
  H      -4.753462     -6.652858      1.516472
  H      -4.347527     -8.224142      2.250587
  H      -1.969808     -4.500570      0.934907
  H      -3.509960     -5.298910      0.586491
  H      -1.545192     -5.792444      2.895705
  H      -2.059263     -6.975875      1.660969
  C      -3.211379     -0.744031      0.189618
  C      -2.977846     -2.212193      0.562313
  C      -3.972803     -2.724518      1.619712
  C      -5.455888     -2.854760      1.087490
  N      -6.359317     -1.835189      1.573033
  C      -6.623084     -0.633709      0.919525
  C      -6.806167     -0.556392     -0.469680
  C      -7.151669      0.661892     -1.046860
  C      -7.337774      1.814828     -0.281562
  C      -7.150165      1.740489      1.098797
  S      -7.357334      3.132744      2.174616
  C      -6.777935      0.531530      1.687770
  C      -9.378980     -6.454247      5.639204
  C      -8.327463     -6.579287      4.532547
  C      -7.222986     -5.516147      4.712630
  C      -7.805695     -4.098669      4.540140
  N      -7.603838     -3.300178      5.747622
  C      -7.645607     -1.919551      5.679426
  C      -8.437182     -1.249280      4.725621
  C      -8.440824      0.151511      4.697474
  C      -7.659419      0.918395      5.570774
  C      -6.858953      0.254993      6.511124
  S      -5.814320      1.123204      7.651904
  C      -6.853011     -1.151467      6.565368
  C      -0.698723     -4.888489      7.816307
  C      -1.475365     -3.891460      6.938448
  C      -2.955282     -4.192707      6.596409
  C      -3.767130     -4.757965      7.784621
  N      -5.153548     -4.993616      7.334825
  C      -5.939539     -5.917720      8.113534
  C      -5.770816     -7.306691      7.983923
  C      -6.626871     -8.173604      8.669114
  C      -7.639939     -7.671961      9.487407
  C      -7.803365     -6.281602      9.631000
  S      -9.080668     -5.552788     10.606230
  C      -6.945396     -5.410192      8.940215
  H      -2.450853     -0.398379     -0.528759
  H      -3.150332     -0.096453      1.079235
  H      -4.200181     -0.590871     -0.269625
  H      -1.953890     -2.320391      0.962465
  H      -3.042437     -2.836859     -0.346315
  H      -3.999049     -1.978877      2.429637
  H      -5.466959     -2.854568     -0.023217
  H      -5.837259     -3.840363      1.426148
  H      -6.346495     -1.743776      2.591671
  H      -6.710526     -1.446645     -1.092110
  H      -7.300210      0.711591     -2.121646
  H      -7.624748      2.753141     -0.751358
  H      -7.672450      4.028615      1.218120
  H      -6.607885      0.483512      2.759950
  H     -10.135081     -7.246011      5.537001
  H      -9.901656     -5.479406      5.613405
  H      -8.913252     -6.555891      6.635728
  H      -8.796227     -6.475634      3.534908
  H      -7.898526     -7.593258      4.588177
  H      -6.913770     -5.611834      5.770701
  H      -8.885266     -4.182337      4.315915
  H      -7.344712     -3.605979      3.659017
  H      -6.883556     -3.675565      6.364585
  H      -9.059312     -1.816952      4.026948
  H      -9.060391      0.663322      3.962660
  H      -7.669963      2.014966      5.517885
  H      -6.083769      2.383531      7.204770
  H      -6.236625     -1.667079      7.302330
  H      -0.634590     -5.899360      7.385329
  H      -1.148250     -4.981396      8.819161
  H       0.336755     -4.528364      7.951325
  H      -1.485291     -2.915624      7.454338
  H      -0.935279     -3.713458      5.988683
  H      -3.418059     -3.226013      6.338390
  H      -3.310464     -5.679074      8.196704
  H      -3.755388     -4.002863      8.584518
  H      -5.035644     -5.413484      6.400638
  H      -4.975712     -7.698777      7.342748
  H      -6.507376     -9.255527      8.565731
  H      -8.308152     -8.360578     10.006605
  H      -9.598204     -6.718093     11.064435
  H      -7.075289     -4.325834      9.007009
  N      -4.992874     -3.050208      4.554418
  H      -5.350751     -2.179432      4.974282
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.686915032727
  N      -3.588461     -4.000976      2.235092
  C      -2.887009     -4.955338      1.387300
  C      -2.390011     -6.098736      2.248854
  N      -3.472416     -6.489584      3.173800
  C      -4.585753     -7.175138      2.481551
  C      -5.843536     -7.084734      3.324183
  N      -5.992643     -5.742213      3.891106
  Mo     -4.393638     -4.557155      3.936430
  N      -3.140666     -5.026516      5.376110
  C      -2.357176     -6.259244      5.332624
  C      -2.989303     -7.231177      4.355841
  H      -2.335860     -6.734367      6.325980
  H      -1.308381     -6.038974      5.066648
  H      -3.862186     -7.701827      4.828559
  H      -2.290015     -8.032089      4.062137
  H      -6.704389     -7.330452      2.684492
  H      -5.825203     -7.845801      4.126156
  H      -4.753350     -6.659939      1.526884
  H      -4.325299     -8.223924      2.261797
  H      -2.022835     -4.484737      0.898354
  H      -3.545215     -5.311532      0.574389
  H      -1.542213     -5.755918      2.857314
  H      -2.056760     -6.955921      1.639902
  C      -3.246640     -0.778419      0.183659
  C      -3.002252     -2.233864      0.562553
  C      -4.003152     -2.734269      1.598133
  C      -5.466960     -2.834514      1.039998
  N      -6.357201     -1.806588      1.533786
  C      -6.605668     -0.593482      0.896832
  C      -6.745576     -0.486717     -0.503847
  C      -7.075813      0.742562     -1.072927
  C      -7.295907      1.878814     -0.285013
  C      -7.153923      1.776443      1.110892
  S      -7.405751      3.145311      2.216911
  C      -6.790033      0.557156      1.688889
  C      -9.355615     -6.478869      5.673817
  C      -8.309521     -6.580989      4.554637
  C      -7.215440     -5.527271      4.722325
  C      -7.806095     -4.114446      4.550275
  N      -7.575330     -3.307643      5.738667
  C      -7.629219     -1.930721      5.665989
  C      -8.446700     -1.270561      4.737231
  C      -8.461476      0.125808      4.707179
  C      -7.665920      0.899056      5.553761
  C      -6.839029      0.248264      6.467232
  S      -5.774410      1.126417      7.574794
  C      -6.822648     -1.153898      6.524459
  C      -0.760476     -4.879648      7.837932
  C      -1.522223     -3.894977      6.971823
  C      -2.974937     -4.208027      6.601309
  C      -3.782776     -4.802590      7.761713
  N      -5.162444     -5.050407      7.315421
  C      -5.938218     -5.955396      8.118767
  C      -5.775104     -7.342530      8.018817
  C      -6.629454     -8.185461      8.730523
  C      -7.637866     -7.661391      9.543225
  C      -7.795330     -6.273101      9.657850
  S      -9.067889     -5.516208     10.627735
  C      -6.934673     -5.425438      8.940819
  H      -2.489686     -0.440884     -0.523233
  H      -3.202271     -0.124272      1.060512
  H      -4.222179     -0.633257     -0.278866
  H      -1.991192     -2.336416      0.970290
  H      -3.049593     -2.862589     -0.336130
  H      -4.040239     -1.991298      2.402668
  H      -5.445902     -2.813563     -0.045561
  H      -5.876299     -3.804639      1.340092
  H      -6.355177     -1.731961      2.542572
  H      -6.623443     -1.364087     -1.145643
  H      -7.186204      0.813639     -2.160456
  H      -7.573049      2.825923     -0.749222
  H      -7.688735      4.059762      1.258444
  H      -6.651839      0.489962      2.772066
  H     -10.101527     -7.260527      5.580411
  H      -9.888517     -5.522088      5.677545
  H      -8.880965     -6.592672      6.646592
  H      -8.781342     -6.474916      3.574654
  H      -7.869195     -7.580043      4.595076
  H      -6.904752     -5.619179      5.764179
  H      -8.892383     -4.201409      4.352722
  H      -7.363445     -3.626263      3.652653
  H      -6.859223     -3.677713      6.332259
  H      -9.079706     -1.842802      4.061819
  H      -9.101446      0.627937      3.992807
  H      -7.685961      1.991438      5.500816
  H      -6.062801      2.369330      7.139725
  H      -6.184577     -1.658351      7.243484
  H      -0.679125     -5.873130      7.387488
  H      -1.220989     -4.987109      8.820635
  H       0.251466     -4.512495      8.003624
  H      -1.547885     -2.932917      7.504536
  H      -0.979684     -3.704963      6.042472
  H      -3.444156     -3.252834      6.366768
  H      -3.317764     -5.721614      8.158719
  H      -3.782841     -4.062319      8.572396
  H      -5.074640     -5.484705      6.392450
  H      -4.987583     -7.750796      7.380561
  H      -6.515734     -9.265086      8.649959
  H      -8.310676     -8.333433     10.080948
  H      -9.609287     -6.663749     11.106896
  H      -7.062047     -4.342969      8.979574
  N      -4.957558     -3.039315      4.559642
  H      -5.297355     -2.157800      4.970630
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.687733493107
  N      -3.594525     -4.007542      2.222464
  C      -2.887660     -4.965023      1.381402
  C      -2.391150     -6.103168      2.250248
  N      -3.472109     -6.489282      3.179191
  C      -4.583781     -7.180308      2.493135
  C      -5.839538     -7.086703      3.333663
  N      -5.994182     -5.739665      3.886434
  Mo     -4.396108     -4.551331      3.931275
  N      -3.140365     -5.005848      5.372717
  C      -2.351147     -6.235431      5.332981
  C      -2.984691     -7.221422      4.365876
  H      -2.320856     -6.701839      6.331143
  H      -1.305179     -6.010800      5.059964
  H      -3.854673     -7.692283      4.845019
  H      -2.283117     -8.022217      4.075760
  H      -6.698468     -7.343253      2.692579
  H      -5.820604     -7.839597      4.145259
  H      -4.751426     -6.672064      1.534865
  H      -4.323564     -8.229954      2.281068
  H      -2.024317     -4.495131      0.892933
  H      -3.542757     -5.327803      0.568001
  H      -1.543555     -5.755908      2.855730
  H      -2.058048     -6.964786      1.647144
  C      -3.245731     -0.788378      0.163357
  C      -3.000530     -2.239187      0.551394
  C      -4.009677     -2.741401      1.584895
  C      -5.473101     -2.849328      1.031144
  N      -6.369237     -1.819773      1.516041
  C      -6.629975     -0.619171      0.856484
  C      -6.769389     -0.543803     -0.548673
  C      -7.094253      0.673536     -1.153754
  C      -7.305815      1.828349     -0.400720
  C      -7.169851      1.756779      1.002795
  S      -7.412116      3.152189      2.065496
  C      -6.813926      0.548528      1.619185
  C      -9.411459     -6.465338      5.579042
  C      -8.357082     -6.561337      4.470024
  C      -7.237509     -5.522044      4.692212
  C      -7.782459     -4.092343      4.523847
  N      -7.580808     -3.315868      5.741400
  C      -7.594703     -1.930332      5.715576
  C      -8.327021     -1.200315      4.741162
  C      -8.338673      0.188315      4.773502
  C      -7.623996      0.887552      5.733478
  C      -6.874403      0.169577      6.694650
  S      -5.920280      0.949216      7.957768
  C      -6.855999     -1.222973      6.682831
  C      -0.721520     -4.836753      7.828198
  C      -1.518159     -3.853076      6.964650
  C      -2.981113     -4.187510      6.600169
  C      -3.780827     -4.802337      7.762883
  N      -5.160887     -5.036043      7.317227
  C      -5.940576     -5.929932      8.121657
  C      -5.812945     -7.316909      7.986050
  C      -6.665177     -8.160392      8.697600
  C      -7.631783     -7.637730      9.549976
  C      -7.751020     -6.249653      9.702585
  S      -8.965339     -5.494632     10.731560
  C      -6.896993     -5.400014      8.982414
  H      -2.472360     -0.450304     -0.537412
  H      -3.215950     -0.132199      1.044595
  H      -4.220832     -0.647147     -0.317758
  H      -1.989470     -2.333892      0.970989
  H      -3.033854     -2.870818     -0.349661
  H      -4.050708     -1.998542      2.389577
  H      -5.455455     -2.838095     -0.047570
  H      -5.876881     -3.815053      1.339359
  H      -6.368373     -1.725298      2.520342
  H      -6.648736     -1.434670     -1.164986
  H      -7.201461      0.720560     -2.245700
  H      -7.574783      2.766673     -0.895291
  H      -7.684789      4.044570      1.075215
  H      -6.677434      0.503905      2.706393
  H     -10.184702     -7.241975      5.431647
  H      -9.914187     -5.476348      5.599560
  H      -8.945862     -6.629972      6.581442
  H      -8.817185     -6.416842      3.470792
  H      -7.942480     -7.583794      4.493910
  H      -6.957106     -5.639451      5.755831
  H      -8.848813     -4.144016      4.287705
  H      -7.307124     -3.618098      3.664543
  H      -6.884346     -3.725869      6.401025
  H      -8.904679     -1.716367      3.983420
  H      -8.918329      0.743469      4.019368
  H      -7.650673      1.969770      5.735478
  H      -6.190818      2.201821      7.547218
  H      -6.289265     -1.784249      7.446899
  H      -0.618965     -5.830502      7.376074
  H      -1.178206     -4.965472      8.816938
  H       0.292721     -4.445934      7.987173
  H      -1.556615     -2.891445      7.498416
  H      -0.980829     -3.644127      6.027394
  H      -3.465745     -3.233498      6.366491
  H      -3.309104     -5.732753      8.139448
  H      -3.780342     -4.077067      8.593833
  H      -5.082305     -5.473660      6.394544
  H      -5.056020     -7.726149      7.318403
  H      -6.579975     -9.240372      8.587618
  H      -8.300769     -8.310947     10.090409
  H      -9.511464     -6.644711     11.199442
  H      -6.994068     -4.318426      9.057118
  N      -4.977124     -3.030496      4.538135
  H      -5.319882     -2.148379      4.945916
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.686818701211
  N      -3.583371     -4.012878      2.232489
  C      -2.874111     -4.961659      1.377773
  C      -2.387177     -6.111829      2.233005
  N      -3.471147     -6.504786      3.157507
  C      -4.583285     -7.193044      2.471733
  C      -5.831649     -7.106717      3.323629
  N      -5.983990     -5.759277      3.874240
  Mo     -4.389930     -4.567963      3.925144
  N      -3.130335     -5.031955      5.360520
  C      -2.341638     -6.261772      5.307140
  C      -2.979207     -7.242952      4.338269
  H      -2.303631     -6.733696      6.303010
  H      -1.296875     -6.034814      5.027242
  H      -3.845439     -7.718293      4.817461
  H      -2.276804     -8.040202      4.040660
  H      -6.696243     -7.366012      2.689541
  H      -5.804888     -7.859748      4.135945
  H      -4.755226     -6.679145      1.515999
  H      -4.321769     -8.242947      2.252460
  H      -2.002971     -4.485962      0.898730
  H      -3.527133     -5.312246      0.555269
  H      -1.539775     -5.772865      2.844603
  H      -2.054302     -6.969187      1.623810
  C      -3.163233     -0.695168      0.234012
  C      -2.953116     -2.175244      0.597048
  C      -3.986162     -2.717347      1.619011
  C      -5.462110     -2.828718      1.050046
  N      -6.364026     -1.812242      1.545857
  C      -6.641583     -0.613137      0.898915
  C      -6.813717     -0.539140     -0.486247
  C      -7.162869      0.676719     -1.067315
  C      -7.356211      1.828984     -0.315226
  C      -7.181432      1.756736      1.063497
  S      -7.398339      3.149950      2.123575
  C      -6.812324      0.549951      1.661969
  C      -9.402259     -6.502507      5.553555
  C      -8.332747     -6.610867      4.482761
  C      -7.229708     -5.551193      4.683994
  C      -7.800415     -4.135397      4.506481
  N      -7.583801     -3.336209      5.705883
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  C      -8.397569     -1.263071      4.702934
  C      -8.419493      0.126807      4.715711
  C      -7.671606      0.863251      5.635427
  C      -6.879464      0.180109      6.575656
  S      -5.879962      1.008606      7.779324
  C      -6.852223     -1.213733      6.584580
  C      -0.675309     -4.887838      7.803456
  C      -1.482371     -3.893376      6.943848
  C      -2.960188     -4.219617      6.594267
  C      -3.756524     -4.829646      7.765900
  N      -5.142508     -5.040347      7.320038
  C      -5.958941     -5.901820      8.134603
  C      -5.875571     -7.300737      8.014671
  C      -6.753172     -8.112342      8.741584
  C      -7.696108     -7.546315      9.597404
  C      -7.771743     -6.145597      9.731437
  S      -8.947329     -5.339437     10.768142
  C      -6.901189     -5.328502      8.991949
  H      -2.363542     -0.335769     -0.454794
  H      -3.130439     -0.062266      1.144288
  H      -4.141669     -0.526972     -0.270971
  H      -1.936498     -2.287755      1.038246
  H      -2.983741     -2.785028     -0.332327
  H      -4.022335     -1.991146      2.453787
  H      -5.446114     -2.794546     -0.065585
  H      -5.863693     -3.824710      1.358160
  H      -6.369125     -1.727450      2.571508
  H      -6.708818     -1.428342     -1.101004
  H      -7.303864      0.724841     -2.138763
  H      -7.641987      2.765488     -0.791017
  H      -7.708521      4.042004      1.161830
  H      -6.654798      0.501896      2.736882
  H     -10.160288     -7.288565      5.440244
  H      -9.911428     -5.560828      5.514137
  H      -8.964283     -6.599879      6.537312
  H      -8.780237     -6.509877      3.491340
  H      -7.909053     -7.605810      4.545254
  H      -6.952782     -5.654191      5.751360
  H      -8.880936     -4.210271      4.294810
  H      -7.348045     -3.659892      3.619191
  H      -6.868715     -3.723150      6.352863
  H      -9.002523     -1.808176      3.975431
  H      -9.034019      0.654547      3.980340
  H      -7.704390      1.947129      5.621876
  H      -6.163462      2.255761      7.366256
  H      -6.249526     -1.747244      7.328298
  H      -0.577269     -5.885393      7.349584
  H      -1.124136     -5.021633      8.805452
  H       0.350603     -4.497775      7.950658
  H      -1.510433     -2.929178      7.478008
  H      -0.949899     -3.684424      5.992936
  H      -3.442640     -3.258614      6.363029
  H      -3.293532     -5.766201      8.136183
  H      -3.742643     -4.108411      8.603593
  H      -5.064651     -5.487368      6.392825
  H      -5.129355     -7.744372      7.348033
  H      -6.702000     -9.203470      8.645698
  H      -8.375860     -8.192399     10.154961
  H      -9.500748     -6.471053     11.259755
  H      -6.966058     -4.237138      9.052213
  N      -4.990614     -3.056958      4.528421
  H      -5.339964     -2.181461      4.946385
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.686587015887
  N      -3.592031     -4.009431      2.222927
  C      -2.875056     -4.954165      1.369414
  C      -2.379811     -6.100147      2.226396
  N      -3.462537     -6.498974      3.149187
  C      -4.572176     -7.190863      2.458891
  C      -5.825653     -7.110654      3.307161
  N      -5.988491     -5.765402      3.860981
  Mo     -4.395874     -4.568294      3.916488
  N      -3.137281     -5.028495      5.354003
  C      -2.341022     -6.253845      5.303173
  C      -2.969035     -7.235256      4.330935
  H      -2.302934     -6.726565      6.297638
  H      -1.296957     -6.020663      5.026199
  H      -3.833530     -7.715226      4.806742
  H      -2.261445     -8.028075      4.034968
  H      -6.685843     -7.373265      2.671947
  H      -5.796189     -7.864290      4.116602
  H      -4.743685     -6.675676      1.503976
  H      -4.306165     -8.240406      2.237647
  H      -2.004802     -4.471949      0.891102
  H      -3.524942     -5.310183      0.545391
  H      -1.534808     -5.755241      2.839000
  H      -2.040543     -6.955569      1.617494
  C      -3.211310     -0.704189      0.224640
  C      -2.978507     -2.176448      0.584485
  C      -3.994195     -2.714890      1.608711
  C      -5.465013     -2.817748      1.028519
  N      -6.365572     -1.799183      1.520734
  C      -6.624525     -0.592262      0.879206
  C      -6.742095     -0.494344     -0.536168
  C      -7.067167      0.730768     -1.112569
  C      -7.296277      1.868776     -0.322723
  C      -7.177246      1.771991      1.085436
  S      -7.441608      3.144392      2.193034
  C      -6.825747      0.557088      1.675020
  C      -9.393895     -6.546454      5.552241
  C      -8.340015     -6.627419      4.440193
  C      -7.232041     -5.569964      4.676996
  C      -7.815219     -4.143536      4.542740
  N      -7.574637     -3.359261      5.748330
  C      -7.625866     -1.982952      5.697335
  C      -8.441844     -1.314947      4.774455
  C      -8.451875      0.086059      4.762202
  C      -7.652633      0.855244      5.622500
  C      -6.827525      0.193165      6.530738
  S      -5.759885      1.064822      7.649909
  C      -6.815726     -1.213313      6.568727
  C      -0.750332     -4.873090      7.835915
  C      -1.524087     -3.884729      6.966507
  C      -2.984688     -4.217037      6.589548
  C      -3.787103     -4.832343      7.748835
  N      -5.169386     -5.068622      7.301637
  C      -5.971254     -5.927978      8.139872
  C      -5.871379     -7.327890      8.052756
  C      -6.725568     -8.127366      8.812640
  C      -7.664697     -7.547822      9.666554
  C      -7.759252     -6.146754      9.766693
  S      -8.930199     -5.324433     10.798755
  C      -6.910460     -5.343048      8.995420
  H      -2.445516     -0.352616     -0.475386
  H      -3.166898     -0.062828      1.115847
  H      -4.187713     -0.546272     -0.247003
  H      -1.964174     -2.282568      1.005412
  H      -3.017023     -2.790564     -0.332194
  H      -4.032840     -1.990343      2.440784
  H      -5.433813     -2.770732     -0.094280
  H      -5.876387     -3.815846      1.323589
  H      -6.383868     -1.728766      2.555023
  H      -6.609500     -1.373163     -1.180000
  H      -7.162189      0.798352     -2.208941
  H      -7.565222      2.812080     -0.792707
  H      -7.719961      4.053367      1.230111
  H      -6.709269      0.490283      2.771118
  H     -10.162581     -7.329529      5.399635
  H      -9.901948     -5.555753      5.573247
  H      -8.933846     -6.707717      6.554366
  H      -8.806338     -6.474257      3.436509
  H      -7.915088     -7.654119      4.450525
  H      -6.945994     -5.702250      5.747397
  H      -8.905888     -4.217844      4.349970
  H      -7.377176     -3.641892      3.642096
  H      -6.853698     -3.733952      6.332767
  H      -9.080561     -1.883700      4.087560
  H      -9.092568      0.595732      4.053809
  H      -7.670254      1.952839      5.584289
  H      -6.018725      2.327610      7.207823
  H      -6.180166     -1.726309      7.280748
  H      -0.644647     -5.869075      7.380899
  H      -1.223131     -5.001572      8.816788
  H       0.262659     -4.487219      8.013355
  H      -1.564141     -2.919961      7.500901
  H      -0.974350     -3.679683      6.035625
  H      -3.469955     -3.259278      6.353886
  H      -3.318677     -5.760538      8.124814
  H      -3.785011     -4.110976      8.579063
  H      -5.084621     -5.520602      6.380593
  H      -5.126625     -7.780274      7.388280
  H      -6.659947     -9.218030      8.743809
  H      -8.325158     -8.182624     10.248960
  H      -9.461312     -6.444269     11.322557
  H      -6.987995     -4.250060      9.027429
  N      -4.983915     -3.057335      4.528413
  H      -5.325827     -2.179462      4.945668
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.686210996148
  N      -3.610806     -4.002805      2.213066
  C      -2.897466     -4.947481      1.363475
  C      -2.377849     -6.082424      2.225597
  N      -3.447116     -6.484389      3.162834
  C      -4.557071     -7.186321      2.480932
  C      -5.810124     -7.109356      3.331434
  N      -5.984223     -5.762762      3.881880
  Mo     -4.394282     -4.557358      3.929594
  N      -3.131624     -5.011534      5.366266
  C      -2.322402     -6.230060      5.315902
  C      -2.943163     -7.215942      4.344202
  H      -2.280315     -6.702869      6.309108
  H      -1.281354     -5.986729      5.039604
  H      -3.804072     -7.701323      4.823317
  H      -2.231476     -8.004277      4.046997
  H      -6.666481     -7.380658      2.696632
  H      -5.775598     -7.858754      4.143587
  H      -4.737010     -6.675772      1.526000
  H      -4.286970     -8.233611      2.262505
  H      -2.044282     -4.461799      0.870643
  H      -3.551898     -5.317327      0.553363
  H      -1.528443     -5.726183      2.824084
  H      -2.039540     -6.938411      1.617657
  C      -3.295022     -0.780043      0.194523
  C      -3.034909     -2.229984      0.561339
  C      -4.024703     -2.735770      1.585767
  C      -5.476759     -2.830835      1.021259
  N      -6.352627     -1.794898      1.525329
  C      -6.605965     -0.582487      0.886635
  C      -6.774975     -0.471440     -0.492940
  C      -7.099526      0.761850     -1.058914
  C      -7.277560      1.896897     -0.291827
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  S      -7.303431      3.157378      2.160907
  C      -6.754427      0.565554      1.659343
  C      -9.401961     -6.533363      5.556580
  C      -8.338293     -6.607670      4.449972
  C      -7.231024     -5.564991      4.688352
  C      -7.800278     -4.137902      4.538535
  N      -7.575389     -3.348002      5.739722
  C      -7.609996     -1.969176      5.675101
  C      -8.378538     -1.283183      4.708057
  C      -8.384873      0.117914      4.682888
  C      -7.629540      0.870287      5.576039
  C      -6.849216      0.192912      6.530178
  S      -5.838556      1.043595      7.702408
  C      -6.838392     -1.213088      6.578391
  C      -0.773453     -4.835540      7.855639
  C      -1.553043     -3.856846      6.995698
  C      -2.995628     -4.205497      6.604548
  C      -3.796073     -4.842199      7.746398
  N      -5.174382     -5.090421      7.301423
  C      -5.958931     -5.956202      8.134632
  C      -5.861672     -7.348424      8.027840
  C      -6.713558     -8.155478      8.778757
  C      -7.649069     -7.590992      9.643247
  C      -7.739465     -6.197640      9.764909
  S      -8.911610     -5.393115     10.810031
  C      -6.889000     -5.385183      9.001572
  H      -2.551419     -0.442279     -0.507965
  H      -3.253519     -0.127071      1.065177
  H      -4.263320     -0.639284     -0.258430
  H      -2.030158     -2.325025      0.963366
  H      -3.076258     -2.855563     -0.331488
  H      -4.067334     -2.003718      2.393901
  H      -5.454925     -2.800610     -0.052597
  H      -5.892734     -3.795276      1.303922
  H      -6.341439     -1.719176      2.522271
  H      -6.684157     -1.347397     -1.117864
  H      -7.236049      0.836766     -2.128519
  H      -7.548006      2.847364     -0.753579
  H      -7.602149      4.074678      1.215942
  H      -6.596709      0.492414      2.724898
  H     -10.163458     -7.307152      5.406450
  H      -9.918851     -5.547497      5.594209
  H      -8.941226     -6.702937      6.550327
  H      -8.791052     -6.454325      3.451732
  H      -7.916516     -7.628359      4.462126
  H      -6.951052     -5.691538      5.745219
  H      -8.876456     -4.202409      4.327430
  H      -7.345054     -3.651963      3.658704
  H      -6.869759     -3.734075      6.356425
  H      -8.982042     -1.838211      3.998510
  H      -8.989789      0.639461      3.937480
  H      -7.647293      1.967937      5.529935
  H      -6.090782      2.303323      7.235343
  H      -6.239436     -1.736871      7.329714
  H      -0.649445     -5.818883      7.388763
  H      -1.249918     -4.981020      8.826569
  H       0.223027     -4.438392      8.045057
  H      -1.611915     -2.901628      7.540007
  H      -1.004689     -3.635505      6.076774
  H      -3.489445     -3.259227      6.377676
  H      -3.316680     -5.769212      8.110279
  H      -3.805198     -4.131663      8.582481
  H      -5.101579     -5.540810      6.388564
  H      -5.126032     -7.789863      7.353749
  H      -6.651477     -9.238922      8.692562
  H      -8.314123     -8.235113     10.218197
  H      -9.463789     -6.518218     11.319618
  H      -6.965471     -4.298970      9.047347
  N      -4.973112     -3.049638      4.552145
  H      -5.310653     -2.171350      4.966418
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.687309493242
  N      -3.594299     -4.019667      2.206074
  C      -2.881044     -4.969847      1.362077
  C      -2.377292     -6.106055      2.228925
  N      -3.452949     -6.496849      3.162797
  C      -4.563165     -7.196146      2.484158
  C      -5.814319     -7.107757      3.330748
  N      -5.984695     -5.755519      3.868186
  Mo     -4.391209     -4.557725      3.917450
  N      -3.131723     -5.006910      5.357566
  C      -2.328553     -6.228845      5.312310
  C      -2.954757     -7.222398      4.349193
  H      -2.286207     -6.694158      6.309809
  H      -1.287524     -5.991406      5.032570
  H      -3.818057     -7.701744      4.832131
  H      -2.245431     -8.016076      4.057374
  H      -6.669738     -7.381493      2.693571
  H      -5.786560     -7.850334      4.150759
  H      -4.738282     -6.690926      1.525969
  H      -4.298822     -8.244688      2.273223
  H      -2.022198     -4.492523      0.875277
  H      -3.533258     -5.335725      0.547801
  H      -1.529437     -5.754875      2.831071
  H      -2.041941     -6.966945      1.625891
  C      -3.173394     -0.768908      0.184751
  C      -2.958412     -2.230702      0.564996
  C      -3.997509     -2.741989      1.577470
  C      -5.459739     -2.843621      1.007091
  N      -6.356944     -1.816579      1.492918
  C      -6.634596     -0.612641      0.848068
  C      -6.763155     -0.526484     -0.557902
  C      -7.111209      0.694036     -1.139012
  C      -7.358755      1.840801     -0.358912
  C      -7.231598      1.757807      1.044263
  S      -7.519615      3.140569      2.140953
  C      -6.852353      0.546524      1.635227
  C      -9.422749     -6.501662      5.510130
  C      -8.344636     -6.593720      4.433379
  C      -7.240445     -5.552263      4.661398
  C      -7.791052     -4.129713      4.493379
  N      -7.573650     -3.350776      5.704096
  C      -7.599208     -1.965357      5.697795
  C      -8.349229     -1.223865      4.751368
  C      -8.363719      0.160849      4.811922
  C      -7.632888      0.848183      5.768801
  C      -6.863993      0.119546      6.699877
  S      -5.884955      0.884123      7.954716
  C      -6.844837     -1.269522      6.661910
  C      -0.692096     -4.835146      7.815782
  C      -1.515360     -3.852573      6.958011
  C      -2.982348     -4.199709      6.593211
  C      -3.778777     -4.836232      7.746570
  N      -5.161591     -5.061956      7.301457
  C      -5.966454     -5.907446      8.125781
  C      -5.910607     -7.299812      8.001923
  C      -6.786053     -8.095667      8.747293
  C      -7.700597     -7.519590      9.624846
  C      -7.746061     -6.124931      9.764380
  S      -8.888491     -5.304230     10.830821
  C      -6.874067     -5.323121      9.004744
  H      -2.367960     -0.428039     -0.499599
  H      -3.150836     -0.126745      1.082979
  H      -4.144371     -0.604410     -0.326655
  H      -1.951124     -2.338771      1.014649
  H      -2.974815     -2.850089     -0.349377
  H      -4.042895     -2.012377      2.391494
  H      -5.434389     -2.822150     -0.066374
  H      -5.871437     -3.810009      1.304747
  H      -6.366253     -1.730794      2.496290
  H      -6.618726     -1.410818     -1.193075
  H      -7.212046      0.750410     -2.231139
  H      -7.648214      2.781442     -0.833645
  H      -7.818241      4.039516      1.173510
  H      -6.728494      0.490817      2.722396
  H     -10.176772     -7.275732      5.378086
  H      -9.937664     -5.546123      5.506102
  H      -8.981936     -6.632667      6.495863
  H      -8.782068     -6.471450      3.443466
  H      -7.923888     -7.592054      4.478753
  H      -6.981091     -5.669796      5.719803
  H      -8.863347     -4.181393      4.276307
  H      -7.329048     -3.663960      3.621016
  H      -6.864090     -3.757985      6.359959
  H      -8.940449     -1.729293      3.996881
  H      -8.960420      0.723954      4.082387
  H      -7.660629      1.928317      5.793020
  H      -6.149301      2.138694      7.569916
  H      -6.260316     -1.838353      7.402475
  H      -0.570148     -5.820683      7.353585
  H      -1.143604     -4.989455      8.811826
  H       0.321294     -4.425557      7.974990
  H      -1.563088     -2.895879      7.497385
  H      -0.983948     -3.627999      6.013289
  H      -3.476079     -3.249044      6.366500
  H      -3.302216     -5.770730      8.104991
  H      -3.778118     -4.127584      8.591425
  H      -5.099313     -5.517255      6.385867
  H      -5.191758     -7.751561      7.319148
  H      -6.757726     -9.179824      8.646911
  H      -8.385797     -8.157020     10.197835
  H      -9.477567     -6.424914     11.331294
  H      -6.918111     -4.237649      9.067498
  N      -4.981792     -3.036189      4.518137
  H      -5.320097     -2.154471      4.931893
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.688385783003
  N      -3.602039     -4.008603      2.212816
  C      -2.879687     -4.948797      1.356358
  C      -2.374814     -6.092862      2.209593
  N      -3.450678     -6.499540      3.136942
  C      -4.559710     -7.199533      2.456097
  C      -5.809571     -7.124093      3.309738
  N      -5.984094     -5.776605      3.854801
  Mo     -4.397646     -4.570513      3.907363
  N      -3.130307     -5.025772      5.340149
  C      -2.321096     -6.243086      5.282063
  C      -2.943990     -7.232531      4.313514
  H      -2.270775     -6.715292      6.276613
  H      -1.281680     -5.996850      4.997830
  H      -3.800784     -7.722781      4.793455
  H      -2.229223     -8.017073      4.012941
  H      -6.668499     -7.397897      2.675462
  H      -5.774025     -7.872757      4.125110
  H      -4.740046     -6.688175      1.500412
  H      -4.289783     -8.248127      2.236935
  H      -2.014939     -4.460112      0.875986
  H      -3.529006     -5.309108      0.533859
  H      -1.530034     -5.741895      2.818741
  H      -2.032326     -6.945902      1.599452
  C      -3.166846     -0.680035      0.230328
  C      -2.958010     -2.159387      0.593604
  C      -4.001345     -2.707501      1.605004
  C      -5.471772     -2.808639      1.019956
  N      -6.380294     -1.800607      1.520394
  C      -6.648652     -0.595207      0.883203
  C      -6.789612     -0.498834     -0.517716
  C      -7.114399      0.726057     -1.096646
  C      -7.313515      1.867584     -0.327931
  C      -7.173273      1.772972      1.068177
  S      -7.393967      3.150190      2.144759
  C      -6.829828      0.556857      1.665076
  C      -9.405342     -6.567097      5.503528
  C      -8.340446     -6.639523      4.407397
  C      -7.236370     -5.586224      4.658086
  C      -7.810826     -4.164357      4.512912
  N      -7.579878     -3.380119      5.721010
  C      -7.629413     -2.002073      5.686510
  C      -8.421308     -1.316373      4.745644
  C      -8.437920      0.077025      4.755602
  C      -7.669826      0.824119      5.657491
  C      -6.865022      0.146516      6.582446
  S      -5.838625      0.989425      7.757419
  C      -6.844625     -1.251607      6.596096
  C      -0.738149     -4.891371      7.824103
  C      -1.519774     -3.897925      6.963040
  C      -2.982700     -4.227243      6.586188
  C      -3.780167     -4.853432      7.743302
  N      -5.163422     -5.080934      7.299042
  C      -5.974710     -5.909999      8.154664
  C      -5.922738     -7.312438      8.069587
  C      -6.786562     -8.082274      8.851341
  C      -7.687115     -7.471825      9.724859
  C      -7.732833     -6.068172      9.822606
  S      -8.856517     -5.208536     10.880015
  C      -6.875642     -5.293080      9.028977
  H      -2.368708     -0.328881     -0.459789
  H      -3.134573     -0.043767      1.135684
  H      -4.143002     -0.505311     -0.270907
  H      -1.944755     -2.274089      1.042982
  H      -2.976048     -2.769000     -0.336563
  H      -4.047483     -1.984184      2.442639
  H      -5.438481     -2.745970     -0.112138
  H      -5.884090     -3.814387      1.303043
  H      -6.402737     -1.733349      2.561137
  H      -6.676589     -1.379521     -1.146112
  H      -7.229188      0.791919     -2.180766
  H      -7.576658      2.811651     -0.803597
  H      -7.668250      4.056910      1.174127
  H      -6.696301      0.490637      2.751667
  H     -10.173830     -7.348950      5.336686
  H      -9.906607     -5.589041      5.520450
  H      -8.959976     -6.732830      6.505311
  H      -8.796364     -6.486371      3.406207
  H      -7.914908     -7.657408      4.418709
  H      -6.966465     -5.721081      5.728840
  H      -8.896999     -4.237113      4.310374
  H      -7.365260     -3.669038      3.621718
  H      -6.854217     -3.765793      6.330614
  H      -9.038254     -1.869859      4.028799
  H      -9.062731      0.600710      4.033576
  H      -7.696391      1.912108      5.640246
  H      -6.105993      2.242459      7.337899
  H      -6.226491     -1.778395      7.323090
  H      -0.627206     -5.880946      7.359156
  H      -1.208074     -5.030863      8.807552
  H       0.274417     -4.501182      8.005118
  H      -1.559981     -2.938820      7.505750
  H      -0.973885     -3.686946      6.027295
  H      -3.470459     -3.267749      6.364046
  H      -3.308452     -5.785994      8.106945
  H      -3.775058     -4.141271      8.585598
  H      -5.089828     -5.544562      6.379538
  H      -5.208593     -7.790631      7.389927
  H      -6.758838     -9.175026      8.783870
  H      -8.356268     -8.084292     10.324909
  H      -9.423569     -6.311736     11.411481
  H      -6.920083     -4.198470      9.058209
  N      -4.990476     -3.061700      4.521066
  H      -5.327593     -2.179954      4.940552
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.690053076653
  N      -3.602683     -4.017789      2.199042
  C      -2.884131     -4.961322      1.348709
  C      -2.364024     -6.094458      2.210210
  N      -3.430069     -6.498223      3.149869
  C      -4.539115     -7.208015      2.475639
  C      -5.789010     -7.133351      3.329495
  N      -5.973050     -5.782053      3.865499
  Mo     -4.387220     -4.570021      3.913250
  N      -3.120486     -5.014643      5.348886
  C      -2.298086     -6.224486      5.295669
  C      -2.915050     -7.221622      4.331328
  H      -2.242698     -6.693490      6.290800
  H      -1.261540     -5.969390      5.010318
  H      -3.768577     -7.713732      4.815920
  H      -2.196677     -8.003997      4.033574
  H      -6.645162     -7.419369      2.698335
  H      -5.746823     -7.874742      4.150716
  H      -4.724027     -6.702568      1.518405
  H      -4.265572     -8.256165      2.261154
  H      -2.028244     -4.473132      0.858263
  H      -3.536648     -5.331791      0.535326
  H      -1.514737     -5.735088      2.808239
  H      -2.024269     -6.951256      1.603713
  C      -3.280062     -0.744584      0.210714
  C      -3.016408     -2.202340      0.562114
  C      -4.009793     -2.733370      1.582266
  C      -5.467418     -2.824244      1.007539
  N      -6.351615     -1.794659      1.512701
  C      -6.608600     -0.585311      0.872766
  C      -6.745173     -0.478827     -0.526428
  C      -7.082094      0.749488     -1.090585
  C      -7.309098      1.882866     -0.301345
  C      -7.168410      1.778627      1.090040
  S      -7.438622      3.144164      2.201621
  C      -6.800750      0.560867      1.664032
  C      -9.428613     -6.552688      5.460462
  C      -8.345337     -6.629794      4.389321
  C      -7.231524     -5.590353      4.659415
  C      -7.796048     -4.157838      4.531094
  N      -7.557021     -3.386879      5.744881
  C      -7.589923     -2.008017      5.700935
  C      -8.364201     -1.314138      4.748773
  C      -8.370561      0.087400      4.748874
  C      -7.608004      0.831497      5.653246
  C      -6.822196      0.144606      6.591958
  S      -5.808887      0.982025      7.778031
  C      -6.812258     -1.261729      6.615215
  C      -0.734403     -4.817274      7.842693
  C      -1.549697     -3.834340      6.986752
  C      -3.000048     -4.212743      6.593959
  C      -3.793782     -4.874139      7.735553
  N      -5.172659     -5.108772      7.288511
  C      -5.985089     -5.931025      8.144119
  C      -5.968092     -7.332426      8.035410
  C      -6.845192     -8.097696      8.809713
  C      -7.723279     -7.483838      9.700832
  C      -7.731989     -6.080660      9.823927
  S      -8.826786     -5.218349     10.904330
  C      -6.861641     -5.309313      9.035857
  H      -2.539859     -0.395216     -0.492002
  H      -3.239027     -0.096870      1.089591
  H      -4.249925     -0.603342     -0.238059
  H      -2.010306     -2.295431      0.965091
  H      -3.052891     -2.820303     -0.341566
  H      -4.054752     -2.008305      2.406101
  H      -5.439010     -2.775773     -0.094017
  H      -5.885904     -3.808619      1.284258
  H      -6.351988     -1.722841      2.528447
  H      -6.618445     -1.354493     -1.167004
  H      -7.193087      0.822889     -2.174460
  H      -7.592877      2.828653     -0.758910
  H      -7.750729      4.055601      1.260069
  H      -6.669833      0.488402      2.746737
  H     -10.195655     -7.325768      5.296330
  H      -9.931544     -5.578898      5.472000
  H      -8.996302     -6.712096      6.456359
  H      -8.779721     -6.472616      3.383053
  H      -7.934641     -7.650304      4.408502
  H      -6.964095     -5.737537      5.728974
  H      -8.878279     -4.214922      4.326378
  H      -7.344528     -3.660768      3.647822
  H      -6.846123     -3.779340      6.346327
  H      -8.974532     -1.863312      4.029532
  H      -8.980018      0.616959      4.015627
  H      -7.626414      1.928707      5.627401
  H      -6.052266      2.248738      7.328349
  H      -6.211414     -1.794917      7.355014
  H      -0.573577     -5.800868      7.367147
  H      -1.216690     -4.996618      8.814547
  H       0.262068     -4.387271      8.038791
  H      -1.634264     -2.879637      7.537890
  H      -0.998957     -3.583559      6.063766
  H      -3.517829     -3.265410      6.366455
  H      -3.310241     -5.810574      8.080442
  H      -3.802385     -4.179361      8.589199
  H      -5.104457     -5.576787      6.378774
  H      -5.275441     -7.814275      7.340003
  H      -6.847519     -9.189445      8.721845
  H      -8.405590     -8.095116     10.294183
  H      -9.428531     -6.321968     11.417188
  H      -6.878958     -4.215983      9.080680
  N      -4.969658     -3.058843      4.527329
  H      -5.302132     -2.178114      4.945402
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.688420818552
  N      -3.618121     -4.023632      2.188247
  C      -2.900829     -4.963805      1.339515
  C      -2.374749     -6.093132      2.202983
  N      -3.437349     -6.495387      3.147524
  C      -4.544780     -7.207589      2.475136
  C      -5.793597     -7.130240      3.326279
  N      -5.982869     -5.776347      3.853502
  Mo     -4.398413     -4.564444      3.905386
  N      -3.138569     -5.006951      5.346658
  C      -2.312704     -6.214788      5.297282
  C      -2.924315     -7.214903      4.333186
  H      -2.258013     -6.681285      6.292569
  H      -1.277480     -5.957007      5.014218
  H      -3.779341     -7.706949      4.817662
  H      -2.203997     -7.997447      4.038820
  H      -6.645144     -7.422394      2.694910
  H      -5.752326     -7.864498      4.152216
  H      -4.729477     -6.705277      1.517451
  H      -4.271634     -8.254083      2.263743
  H      -2.053192     -4.474144      0.846373
  H      -3.552574     -5.337785      0.530263
  H      -1.524348     -5.731552      2.795331
  H      -2.035981     -6.950933      1.597758
  C      -3.175237     -0.751625      0.217522
  C      -2.966254     -2.221039      0.576484
  C      -4.014092     -2.744805      1.564550
  C      -5.464460     -2.829808      0.971216
  N      -6.347652     -1.798241      1.472217
  C      -6.622422     -0.587904      0.841074
  C      -6.768113     -0.478612     -0.544979
  C      -7.114271      0.751334     -1.104731
  C      -7.339388      1.883926     -0.323745
  C      -7.195760      1.777145      1.059736
  S      -7.458042      3.141978      2.159653
  C      -6.823423      0.557072      1.631408
  C      -9.432342     -6.559902      5.467690
  C      -8.354261     -6.616134      4.374592
  C      -7.242937     -5.587386      4.644473
  C      -7.791717     -4.152438      4.512564
  N      -7.546491     -3.381520      5.719470
  C      -7.574004     -2.000519      5.690746
  C      -8.339404     -1.281923      4.747233
  C      -8.355475      0.108764      4.780256
  C      -7.610837      0.820900      5.708078
  C      -6.826002      0.114864      6.633751
  S      -5.830626      0.913869      7.851698
  C      -6.805152     -1.280400      6.622980
  C      -0.805872     -4.801281      7.857037
  C      -1.590069     -3.838573      6.994200
  C      -3.022766     -4.204727      6.590740
  C      -3.818790     -4.860750      7.715647
  N      -5.193480     -5.112698      7.267607
  C      -5.991552     -5.930178      8.128598
  C      -5.970125     -7.323193      8.017701
  C      -6.812667     -8.087016      8.815057
  C      -7.661218     -7.478485      9.731441
  C      -7.677458     -6.084126      9.854167
  S      -8.733418     -5.226106     10.969490
  C      -6.840865     -5.314339      9.041770
  H      -2.354005     -0.392162     -0.441171
  H      -3.174393     -0.126168      1.130732
  H      -4.133905     -0.584329     -0.317452
  H      -1.968099     -2.333252      1.038775
  H      -2.970846     -2.826360     -0.344897
  H      -4.068425     -2.026870      2.387577
  H      -5.429393     -2.793271     -0.089521
  H      -5.893551     -3.791860      1.241333
  H      -6.348632     -1.722377      2.465146
  H      -6.639116     -1.352353     -1.182967
  H      -7.228670      0.825637     -2.182615
  H      -7.625238      2.832279     -0.782216
  H      -7.752040      4.056582      1.207108
  H      -6.692354      0.483541      2.706785
  H     -10.192323     -7.326680      5.296888
  H      -9.948359     -5.579133      5.519095
  H      -8.984410     -6.749148      6.461459
  H      -8.791243     -6.447353      3.377266
  H      -7.938075     -7.633411      4.377958
  H      -6.983966     -5.738624      5.702949
  H      -8.867727     -4.195064      4.313748
  H      -7.341970     -3.676275      3.632999
  H      -6.840083     -3.779885      6.341513
  H      -8.940999     -1.805662      4.016656
  H      -8.964567      0.653135      4.056353
  H      -7.641285      1.907516      5.712649
  H      -6.106528      2.160894      7.453726
  H      -6.207069     -1.829434      7.358039
  H      -0.664583     -5.774964      7.385844
  H      -1.285139     -4.959650      8.820067
  H       0.179316     -4.390303      8.060340
  H      -1.658125     -2.887946      7.538964
  H      -1.043954     -3.611660      6.081338
  H      -3.522641     -3.269596      6.365397
  H      -3.333025     -5.789143      8.060892
  H      -3.833726     -4.166687      8.565393
  H      -5.133396     -5.586881      6.370921
  H      -5.296448     -7.799162      7.307354
  H      -6.807062     -9.170172      8.727700
  H      -8.315808     -8.089084     10.346775
  H      -9.294344     -6.321734     11.514005
  H      -6.860682     -4.227931      9.090684
  N      -4.987280     -3.048053      4.508836
  H      -5.320884     -2.168558      4.924412
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.689863845664
  N      -3.646745     -4.005722      2.195231
  C      -2.919992     -4.937035      1.337671
  C      -2.382806     -6.068272      2.191409
  N      -3.436992     -6.484578      3.139357
  C      -4.542097     -7.208619      2.477442
  C      -5.785178     -7.146973      3.342603
  N      -5.987101     -5.792734      3.864786
  Mo     -4.412430     -4.564084      3.910825
  N      -3.132619     -4.998929      5.337979
  C      -2.288967     -6.193257      5.271506
  C      -2.900798     -7.200703      4.314179
  H      -2.210607     -6.661936      6.265534
  H      -1.261246     -5.918030      4.972511
  H      -3.741481     -7.707309      4.807140
  H      -2.172935     -7.970555      4.007784
  H      -6.641591     -7.452216      2.718705
  H      -5.727166     -7.880197      4.172461
  H      -4.741379     -6.706657      1.520792
  H      -4.257848     -8.253701      2.263259
  H      -2.073208     -4.435717      0.845155
  H      -3.572457     -5.312644      0.527215
  H      -1.532891     -5.702019      2.783027
  H      -2.039131     -6.920366      1.581291
  C      -3.213869     -0.706197      0.230764
  C      -3.001647     -2.178040      0.592723
  C      -4.048560     -2.716806      1.588006
  C      -5.504859     -2.813787      0.999544
  N      -6.398690     -1.792902      1.502680
  C      -6.651676     -0.578553      0.869843
  C      -6.760523     -0.459224     -0.540123
  C      -7.036774      0.778796     -1.128590
  C      -7.218487      1.910418     -0.359814
  C      -7.118648      1.793039      1.049829
  S      -7.312938      3.156779      2.125091
  C      -6.823493      0.563890      1.655599
  C      -9.432773     -6.605276      5.463900
  C      -8.344792     -6.660603      4.387090
  C      -7.251727     -5.615330      4.651243
  C      -7.820003     -4.196594      4.506549
  N      -7.584108     -3.412129      5.707788
  C      -7.626344     -2.031005      5.681383
  C      -8.396559     -1.320955      4.733316
  C      -8.414702      0.070760      4.762550
  C      -7.666715      0.794471      5.687824
  C      -6.880094      0.094957      6.619238
  S      -5.878303      0.908069      7.829316
  C      -6.858780     -1.301615      6.614141
  C      -0.714898     -4.824528      7.810554
  C      -1.551139     -3.838970      6.968158
  C      -3.010848     -4.211916      6.591437
  C      -3.792738     -4.894666      7.733301
  N      -5.176487     -5.130851      7.292825
  C      -5.986260     -5.930826      8.162407
  C      -5.999162     -7.327186      8.051106
  C      -6.862753     -8.075314      8.852651
  C      -7.699584     -7.448091      9.770825
  C      -7.679802     -6.049699      9.894040
  S      -8.725491     -5.169360     11.008849
  C      -6.820565     -5.295413      9.079947
  H      -2.413063     -0.357541     -0.447632
  H      -3.189555     -0.073334      1.131335
  H      -4.181770     -0.532261     -0.277458
  H      -1.997212     -2.288904      1.053129
  H      -3.005853     -2.785210     -0.332469
  H      -4.102110     -2.000586      2.419608
  H      -5.465767     -2.758247     -0.094249
  H      -5.919711     -3.797421      1.268814
  H      -6.414910     -1.729424      2.521160
  H      -6.652687     -1.330478     -1.174768
  H      -7.117793      0.861429     -2.226072
  H      -7.436947      2.865652     -0.846904
  H      -7.520075      4.078627      1.131599
  H      -6.710965      0.481064      2.745254
  H     -10.182424     -7.382112      5.299730
  H      -9.952343     -5.645337      5.486415
  H      -9.001177     -6.767086      6.455502
  H      -8.774186     -6.513688      3.392785
  H      -7.915865     -7.661492      4.406855
  H      -7.003955     -5.752887      5.711595
  H      -8.904336     -4.261392      4.311767
  H      -7.376462     -3.714267      3.617487
  H      -6.864709     -3.810153      6.343899
  H      -8.999015     -1.853988      4.000550
  H      -9.026590      0.610545      4.035365
  H      -7.695871      1.881473      5.686939
  H      -6.105344      2.176980      7.382557
  H      -6.255689     -1.845037      7.349170
  H      -0.562156     -5.794506      7.323709
  H      -1.177297     -5.016392      8.798391
  H       0.286611     -4.397036      7.993017
  H      -1.623816     -2.893833      7.526805
  H      -1.017461     -3.583880      6.028327
  H      -3.531246     -3.267771      6.379771
  H      -3.297034     -5.835574      8.058275
  H      -3.799737     -4.216415      8.603654
  H      -5.124923     -5.607004      6.384069
  H      -5.337711     -7.819065      7.336580
  H      -6.885887     -9.161894      8.764689
  H      -8.374520     -8.046815     10.386545
  H      -9.343602     -6.258895     11.533876
  H      -6.818718     -4.205993      9.126390
  N      -5.015157     -3.060272      4.524872
  H      -5.349998     -2.182725      4.946451
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.688989183429
  N      -3.582580     -4.029639      2.187327
  C      -2.858743     -4.971251      1.335281
  C      -2.339439     -6.104685      2.194546
  N      -3.404388     -6.510497      3.134137
  C      -4.511223     -7.224685      2.464681
  C      -5.759931     -7.148706      3.316880
  N      -5.954220     -5.792834      3.836437
  Mo     -4.369287     -4.580979      3.894335
  N      -3.103068     -5.022349      5.331851
  C      -2.270032     -6.223580      5.272162
  C      -2.882392     -7.228683      4.313539
  H      -2.201583     -6.690240      6.267636
  H      -1.238559     -5.957690      4.978199
  H      -3.729827     -7.727496      4.801171
  H      -2.157724     -8.004996      4.014327
  H      -6.611371     -7.445914      2.685457
  H      -5.717628     -7.880771      4.146032
  H      -4.697036     -6.722662      1.505801
  H      -4.236107     -8.273018      2.253541
  H      -2.001373     -4.480060      0.847639
  H      -3.509767     -5.342222      0.518474
  H      -1.490998     -5.744470      2.793240
  H      -1.998299     -6.961394      1.588273
  C      -3.196601     -0.701759      0.230709
  C      -2.954887     -2.172090      0.576031
  C      -3.977043     -2.723434      1.582315
  C      -5.439915     -2.813184      0.986692
  N      -6.349595     -1.808318      1.489136
  C      -6.647904     -0.604867      0.864111
  C      -6.790077     -0.507827     -0.530999
  C      -7.169884      0.711948     -1.078004
  C      -7.430671      1.847996     -0.277396
  C      -7.281451      1.752742      1.107448
  S      -7.575788      3.120540      2.222420
  C      -6.877286      0.542557      1.667420
  C      -9.436924     -6.571441      5.357396
  C      -8.342841     -6.639027      4.301633
  C      -7.227063     -5.605073      4.607487
  C      -7.780796     -4.174545      4.479786
  N      -7.538409     -3.414230      5.701516
  C      -7.575596     -2.035484      5.698951
  C      -8.353267     -1.317562      4.768188
  C      -8.365078      0.074909      4.819827
  C      -7.602263      0.788907      5.752287
  C      -6.809898      0.078902      6.667147
  S      -5.796147      0.877983      7.883485
  C      -6.795232     -1.318297      6.639370
  C      -0.732429     -4.861403      7.837261
  C      -1.533927     -3.873278      6.982174
  C      -2.985825     -4.232557      6.586942
  C      -3.779848     -4.893311      7.725710
  N      -5.159773     -5.116102      7.275342
  C      -6.004352     -5.884249      8.153763
  C      -6.067893     -7.289197      8.061183
  C      -6.971627     -7.999140      8.868638
  C      -7.798276     -7.326746      9.773958
  C      -7.725628     -5.920064      9.879492
  S      -8.753387     -4.984745     10.975431
  C      -6.827374     -5.204299      9.062068
  H      -2.437328     -0.349102     -0.463906
  H      -3.157711     -0.064065      1.120337
  H      -4.167477     -0.542275     -0.235021
  H      -1.946856     -2.277003      1.002242
  H      -2.978936     -2.778138     -0.344134
  H      -4.027996     -2.007853      2.420648
  H      -5.395128     -2.742627     -0.141920
  H      -5.860725     -3.815439      1.255133
  H      -6.374560     -1.744565      2.529151
  H      -6.640472     -1.384256     -1.177901
  H      -7.290612      0.779153     -2.153470
  H      -7.743502      2.786903     -0.724553
  H      -7.914068      4.026233      1.294656
  H      -6.739839      0.474742      2.745285
  H     -10.213325     -7.342071      5.156549
  H      -9.923467     -5.590600      5.373856
  H      -9.022079     -6.755725      6.365817
  H      -8.765722     -6.463680      3.288768
  H      -7.937181     -7.663123      4.310319
  H      -6.986619     -5.765414      5.686324
  H      -8.864504     -4.228644      4.277252
  H      -7.330574     -3.677398      3.598392
  H      -6.818816     -3.817413      6.310367
  H      -8.966569     -1.844352      4.028010
  H      -8.980252      0.624546      4.104779
  H      -7.624863      1.876710      5.767012
  H      -6.044611      2.141192      7.487008
  H      -6.189180     -1.871906      7.359842
  H      -0.582071     -5.839734      7.355714
  H      -1.214090     -5.037324      8.811222
  H       0.267099     -4.443414      8.039670
  H      -1.604657     -2.922088      7.537422
  H      -0.983429     -3.632693      6.054342
  H      -3.494972     -3.282272      6.368287
  H      -3.303181     -5.831686      8.063280
  H      -3.781826     -4.205831      8.587787
  H      -5.097379     -5.608788      6.369135
  H      -5.415893     -7.818190      7.354436
  H      -7.036375     -9.093478      8.794489
  H      -8.503864     -7.894174     10.391984
  H      -9.414722     -6.049306     11.507587
  H      -6.785140     -4.108301      9.097671
  N      -4.964125     -3.065635      4.495290
  H      -5.293371     -2.176411      4.912200
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.692051683365
  N      -3.624130     -4.026211      2.179172
  C      -2.901617     -4.964825      1.328228
  C      -2.365991     -6.090478      2.189693
  N      -3.421127     -6.498974      3.139417
  C      -4.526476     -7.223265      2.475054
  C      -5.774582     -7.151932      3.330018
  N      -5.979639     -5.794110      3.843162
  Mo     -4.400729     -4.573699      3.896915
  N      -3.136792     -5.006112      5.337723
  C      -2.287637     -6.197844      5.280151
  C      -2.890425     -7.209609      4.321896
  H      -2.214052     -6.663569      6.274785
  H      -1.259702     -5.920020      4.986511
  H      -3.734019     -7.713847      4.811945
  H      -2.159950     -7.981047      4.024160
  H      -6.624628     -7.461786      2.703684
  H      -5.722300     -7.877710      4.164196
  H      -4.718823     -6.725633      1.515795
  H      -4.245765     -8.269810      2.266528
  H      -2.055248     -4.469581      0.832481
  H      -3.554171     -5.343918      0.519454
  H      -1.514339     -5.722875      2.778280
  H      -2.025312     -6.947360      1.583813
  C      -3.240378     -0.723468      0.236524
  C      -2.993850     -2.189375      0.574465
  C      -4.019975     -2.735873      1.564584
  C      -5.469578     -2.817756      0.964947
  N      -6.355565     -1.789855      1.469674
  C      -6.616545     -0.577732      0.836134
  C      -6.740197     -0.459349     -0.561023
  C      -7.062806      0.775057     -1.123715
  C      -7.288020      1.904443     -0.333592
  C      -7.166634      1.787693      1.059202
  S      -7.439788      3.145690      2.175569
  C      -6.814578      0.563135      1.631352
  C      -9.441534     -6.588278      5.413575
  C      -8.356363     -6.640678      4.333104
  C      -7.244816     -5.612227      4.628002
  C      -7.806721     -4.176839      4.517757
  N      -7.543852     -3.415107      5.729848
  C      -7.574873     -2.036528      5.704067
  C      -8.349607     -1.326883      4.763938
  C      -8.353201      0.073153      4.784031
  C      -7.588285      0.799887      5.697666
  C      -6.799688      0.098298      6.622760
  S      -5.785386      0.913962      7.821793
  C      -6.790215     -1.305569      6.623847
  C      -0.790503     -4.767139      7.863347
  C      -1.614068     -3.803194      7.004706
  C      -3.046664     -4.211469      6.591178
  C      -3.834517     -4.901506      7.711552
  N      -5.207838     -5.157525      7.262908
  C      -6.016276     -5.947769      8.146154
  C      -6.058483     -7.344996      8.029321
  C      -6.906799     -8.080102      8.852218
  C      -7.697008     -7.440531      9.799338
  C      -7.651870     -6.042359      9.926329
  S      -8.632539     -5.148755     11.078898
  C      -6.812994     -5.300530      9.089648
  H      -2.445244     -0.346521     -0.426804
  H      -3.246021     -0.098104      1.150227
  H      -4.199526     -0.578464     -0.275462
  H      -1.995516     -2.285762      1.014996
  H      -3.000017     -2.791352     -0.347519
  H      -4.079178     -2.022456      2.397477
  H      -5.427840     -2.760492     -0.127373
  H      -5.900590     -3.798822      1.224830
  H      -6.360907     -1.724307      2.480611
  H      -6.614984     -1.329953     -1.202420
  H      -7.162389      0.858308     -2.206432
  H      -7.558012      2.855222     -0.791722
  H      -7.715288      4.070555      1.228800
  H      -6.699084      0.480012      2.716539
  H     -10.204577     -7.355748      5.229815
  H      -9.952087     -5.612397      5.456880
  H      -9.006714     -6.777436      6.407800
  H      -8.789302     -6.458348      3.327742
  H      -7.941023     -7.664330      4.326854
  H      -6.989332     -5.778459      5.694459
  H      -8.892599     -4.227548      4.333574
  H      -7.368422     -3.678294      3.627198
  H      -6.834892     -3.814749      6.319537
  H      -8.963397     -1.862316      4.039960
  H      -8.964471      0.615076      4.060606
  H      -7.606400      1.895009      5.689853
  H      -6.038644      2.171462      7.405737
  H      -6.186674     -1.850525      7.353635
  H      -0.594513     -5.740566      7.380958
  H      -1.283118     -4.968415      8.818832
  H       0.186804     -4.310822      8.083706
  H      -1.724521     -2.854369      7.560392
  H      -1.061188     -3.536243      6.094797
  H      -3.581375     -3.276492      6.367478
  H      -3.336633     -5.833741      8.039184
  H      -3.858077     -4.224278      8.575419
  H      -5.143244     -5.643504      6.368235
  H      -5.428561     -7.847293      7.293986
  H      -6.949737     -9.166967      8.761510
  H      -8.351734     -8.027255     10.433602
  H      -9.210382     -6.226514     11.634119
  H      -6.788181     -4.210194      9.142695
  N      -4.992474     -3.060954      4.502862
  H      -5.321960     -2.177425      4.920894
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.691391369308
  N      -3.639132     -4.012577      2.183849
  C      -2.914848     -4.940190      1.322290
  C      -2.363599     -6.067230      2.173382
  N      -3.407254     -6.488253      3.132463
  C      -4.511490     -7.222124      2.479631
  C      -5.751785     -7.162393      3.347886
  N      -5.966444     -5.804870      3.857322
  Mo     -4.394925     -4.570648      3.904820
  N      -3.114839     -5.001073      5.333483
  C      -2.253937     -6.183298      5.260433
  C      -2.857979     -7.197674      4.306465
  H      -2.160982     -6.651350      6.252927
  H      -1.233007     -5.892539      4.953860
  H      -3.691303     -7.712490      4.803970
  H      -2.123020     -7.959884      3.997543
  H      -6.604183     -7.481663      2.727679
  H      -5.687525     -7.886028      4.184915
  H      -4.717376     -6.725356      1.521801
  H      -4.223056     -8.266276      2.268518
  H      -2.077163     -4.433776      0.821759
  H      -3.570891     -5.320890      0.518626
  H      -1.509751     -5.695935      2.755642
  H      -2.021719     -6.918540      1.561477
  C      -3.186751     -0.706494      0.244063
  C      -2.985187     -2.184460      0.596303
  C      -4.038012     -2.723642      1.578763
  C      -5.487701     -2.815010      0.981907
  N      -6.380868     -1.796651      1.490741
  C      -6.656653     -0.585612      0.863726
  C      -6.778114     -0.469121     -0.534453
  C      -7.098449      0.765197     -1.102609
  C      -7.312722      1.895441     -0.324063
  C      -7.197103      1.780301      1.071794
  S      -7.439100      3.142964      2.163827
  C      -6.857186      0.555020      1.656428
  C      -9.458333     -6.617550      5.361589
  C      -8.348417     -6.661447      4.313126
  C      -7.244522     -5.631647      4.624792
  C      -7.790845     -4.201037      4.496175
  N      -7.551513     -3.430159      5.705677
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  C      -8.379326      0.059226      4.788587
  C      -7.630415      0.773497      5.716534
  C      -6.844143      0.065726      6.640755
  S      -5.841242      0.868207      7.854117
  C      -6.824670     -1.331015      6.626522
  C      -0.766280     -4.823156      7.839358
  C      -1.570199     -3.849592      6.992782
  C      -3.009716     -4.220989      6.593742
  C      -3.793071     -4.912781      7.717095
  N      -5.172766     -5.155116      7.271839
  C      -5.999114     -5.913794      8.158228
  C      -6.098136     -7.306051      8.032326
  C      -6.979202     -8.014445      8.853760
  C      -7.748454     -7.351904      9.806186
  C      -7.639750     -5.957255      9.944131
  S      -8.598170     -5.031929     11.100437
  C      -6.763512     -5.242288      9.110698
  H      -2.388941     -0.360402     -0.427016
  H      -3.156187     -0.083019      1.142177
  H      -4.149382     -0.517818     -0.261526
  H      -1.984511     -2.307101      1.062588
  H      -2.988785     -2.781814     -0.331083
  H      -4.096152     -2.013763      2.412186
  H      -5.446893     -2.757196     -0.097326
  H      -5.906605     -3.792823      1.239209
  H      -6.393417     -1.730923      2.498750
  H      -6.647099     -1.339821     -1.176441
  H      -7.188832      0.846391     -2.192297
  H      -7.568779      2.848313     -0.793548
  H      -7.714252      4.062432      1.207123
  H      -6.739791      0.474132      2.738719
  H     -10.217999     -7.385025      5.158240
  H      -9.963537     -5.646473      5.395283
  H      -9.048510     -6.809485      6.363784
  H      -8.751876     -6.490317      3.309883
  H      -7.937962     -7.669817      4.325658
  H      -7.017018     -5.795015      5.691130
  H      -8.867166     -4.246711      4.295879
  H      -7.340456     -3.722027      3.621623
  H      -6.835686     -3.833463      6.347909
  H      -8.962673     -1.855958      4.013039
  H      -8.992690      0.604293      4.069437
  H      -7.659384      1.860747      5.724337
  H      -6.036241      2.148666      7.384872
  H      -6.221330     -1.880677      7.355350
  H      -0.613028     -5.782107      7.347265
  H      -1.241390     -5.010378      8.810422
  H       0.219142     -4.406552      8.046865
  H      -1.644505     -2.910235      7.554251
  H      -1.030053     -3.602843      6.069144
  H      -3.525635     -3.286514      6.385901
  H      -3.295983     -5.852178      8.029973
  H      -3.805502     -4.246487      8.594769
  H      -5.126294     -5.653615      6.378152
  H      -5.490802     -7.827012      7.290472
  H      -7.069638     -9.097729      8.754453
  H      -8.439617     -7.920259     10.437698
  H      -9.297277     -6.090431     11.615110
  H      -6.695659     -4.155452      9.169971
  N      -5.002315     -3.071929      4.516071
  H      -5.333724     -2.197497      4.941583
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.691343855255
  N      -3.634703     -4.024047      2.176043
  C      -2.910629     -4.954931      1.316685
  C      -2.359705     -6.078609      2.170967
  N      -3.402607     -6.496851      3.130561
  C      -4.505746     -7.235248      2.481156
  C      -5.747616     -7.172376      3.346472
  N      -5.967095     -5.811668      3.846494
  Mo     -4.396709     -4.576989      3.896706
  N      -3.117144     -5.000783      5.327482
  C      -2.249354     -6.177575      5.255657
  C      -2.849740     -7.199203      4.306408
  H      -2.151611     -6.642101      6.249454
  H      -1.230793     -5.881618      4.946214
  H      -3.680000     -7.716190      4.806464
  H      -2.111262     -7.959227      3.999823
  H      -6.597745     -7.497723      2.726084
  H      -5.683912     -7.890645      4.188461
  H      -4.710938     -6.743838      1.520598
  H      -4.215990     -8.280191      2.275763
  H      -2.071416     -4.451126      0.815293
  H      -3.567731     -5.337226      0.513167
  H      -1.506419     -5.705262      2.753246
  H      -2.017055     -6.931929      1.561635
  C      -3.208484     -0.714114      0.235302
  C      -2.987001     -2.185403      0.584770
  C      -4.030637     -2.727833      1.572043
  C      -5.484520     -2.813167      0.972409
  N      -6.377346     -1.793168      1.481974
  C      -6.642883     -0.578416      0.858288
  C      -6.762779     -0.454269     -0.540341
  C      -7.079721      0.783413     -1.100428
  C      -7.289770      1.909872     -0.315151
  C      -7.172422      1.787034      1.078592
  S      -7.403756      3.143944      2.174719
  C      -6.839911      0.558091      1.657561
  C      -9.457474     -6.618304      5.349262
  C      -8.351343     -6.663196      4.292173
  C      -7.245898     -5.637516      4.610447
  C      -7.795332     -4.208660      4.488638
  N      -7.543244     -3.440162      5.696083
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  C      -8.367086     -1.344743      4.751291
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  C      -7.646052      0.760362      5.735171
  C      -6.847721      0.057312      6.647473
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  C      -6.816596     -1.336533      6.619310
  C      -0.721560     -4.796567      7.825858
  C      -1.572065     -3.821994      6.983382
  C      -3.020630     -4.222188      6.589560
  C      -3.799067     -4.929664      7.715616
  N      -5.178682     -5.175749      7.269757
  C      -6.009386     -5.921425      8.163733
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  C      -7.018116     -8.004207      8.878383
  C      -7.773142     -7.324806      9.833949
  C      -7.644658     -5.930554      9.962643
  S      -8.587222     -4.983719     11.121365
  C      -6.760142     -5.233380      9.118946
  H      -2.428766     -0.367888     -0.444656
  H      -3.176085     -0.084194      1.127129
  H      -4.172888     -0.538274     -0.251205
  H      -1.985495     -2.299450      1.037364
  H      -2.993376     -2.785773     -0.338897
  H      -4.087774     -2.017575      2.406146
  H      -5.438935     -2.746227     -0.120752
  H      -5.906854     -3.799960      1.227840
  H      -6.394107     -1.735765      2.499717
  H      -6.637992     -1.321659     -1.185495
  H      -7.175312      0.870381     -2.185686
  H      -7.543385      2.865226     -0.777983
  H      -7.662076      4.069498      1.215068
  H      -6.724482      0.470313      2.740261
  H     -10.217762     -7.384189      5.143013
  H      -9.964436     -5.641645      5.389958
  H      -9.042171     -6.816568      6.352570
  H      -8.760626     -6.482040      3.286458
  H      -7.938991     -7.678073      4.294463
  H      -7.018888     -5.806849      5.676777
  H      -8.880604     -4.257058      4.299826
  H      -7.353193     -3.723380      3.601742
  H      -6.820443     -3.843348      6.319848
  H      -8.972354     -1.872436      4.015687
  H      -9.013424      0.587849      4.089029
  H      -7.683343      1.844570      5.753796
  H      -6.182528      2.074737      7.551070
  H      -6.206556     -1.884074      7.341419
  H      -0.534273     -5.756662      7.329590
  H      -1.192970     -5.015164      8.803949
  H       0.265932     -4.343897      8.029380
  H      -1.669856     -2.882557      7.548606
  H      -1.035481     -3.547207      6.050885
  H      -3.557258     -3.286841      6.380709
  H      -3.295176     -5.869570      8.024759
  H      -3.815661     -4.267332      8.596797
  H      -5.130605     -5.677626      6.376092
  H      -5.535911     -7.847108      7.300148
  H      -7.125174     -9.086765      8.785925
  H      -8.469896     -7.879078     10.474467
  H      -9.266163     -6.029199     11.667042
  H      -6.678232     -4.146020      9.170759
  N      -4.997810     -3.069022      4.503691
  H      -5.324807     -2.189371      4.929997
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.674965576040
  N      -3.610884     -4.040142      2.161595
  C      -2.888429     -4.980291      1.307744
  C      -2.348592     -6.104476      2.167652
  N      -3.398050     -6.515311      3.122260
  C      -4.503116     -7.248982      2.467999
  C      -5.749531     -7.175801      3.325275
  N      -5.966487     -5.813174      3.822705
  Mo     -4.389620     -4.589680      3.875947
  N      -3.124776     -5.014689      5.318708
  C      -2.259612     -6.194709      5.255808
  C      -2.854991     -7.217129      4.303541
  H      -2.172164     -6.657678      6.250257
  H      -1.238131     -5.903182      4.953598
  H      -3.690280     -7.729311      4.798561
  H      -2.116819     -7.981076      4.004852
  H      -6.596539     -7.498956      2.702538
  H      -5.692588     -7.891526      4.167592
  H      -4.700648     -6.759582      1.505690
  H      -4.219250     -8.296106      2.266673
  H      -2.042947     -4.485006      0.808985
  H      -3.544261     -5.361611      0.499949
  H      -1.496003     -5.733944      2.753565
  H      -2.007572     -6.961445      1.561345
  C      -3.218739     -0.696319      0.257838
  C      -2.967581     -2.166041      0.576237
  C      -4.001204     -2.733676      1.556569
  C      -5.452879     -2.812609      0.942383
  N      -6.353031     -1.800612      1.450419
  C      -6.623284     -0.586495      0.828948
  C      -6.740307     -0.460483     -0.570978
  C      -7.084831      0.773712     -1.113762
  C      -7.335581      1.896648     -0.302493
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  S      -7.506174      3.121219      2.221783
  C      -6.846793      0.547550      1.643206
  C      -9.445972     -6.608479      5.340378
  C      -8.350139     -6.654912      4.270482
  C      -7.241114     -5.632543      4.592580
  C      -7.802793     -4.196276      4.497084
  N      -7.537889     -3.449125      5.722277
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  C      -8.342581     -1.348598      4.780681
  C      -8.345051      0.051139      4.818608
  C      -7.587880      0.765888      5.753121
  C      -6.811748      0.049667      6.684527
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  C      -6.802293     -1.352950      6.666522
  C      -0.783458     -4.763541      7.867210
  C      -1.619129     -3.805323      7.001836
  C      -3.049449     -4.225457      6.578270
  C      -3.838765     -4.921897      7.691268
  N      -5.208411     -5.184213      7.236822
  C      -6.036899     -5.926173      8.145147
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  C      -7.754100     -7.315383      9.859382
  C      -7.627662     -5.919120      9.975622
  S      -8.526308     -4.964218     11.152257
  C      -6.772787     -5.229215      9.110001
  H      -2.431180     -0.311581     -0.410901
  H      -3.216780     -0.077493      1.181056
  H      -4.181940     -0.546889     -0.238775
  H      -1.971274     -2.263389      1.020746
  H      -2.964260     -2.756618     -0.358024
  H      -4.066061     -2.026144      2.400029
  H      -5.400053     -2.731560     -0.174618
  H      -5.886683     -3.810657      1.190702
  H      -6.376030     -1.749136      2.482954
  H      -6.597801     -1.325308     -1.225376
  H      -7.185477      0.862936     -2.192264
  H      -7.621167      2.847131     -0.744568
  H      -7.797806      4.048726      1.287762
  H      -6.732667      0.457876      2.727211
  H     -10.208192     -7.371750      5.139860
  H      -9.952324     -5.634045      5.383932
  H      -9.023851     -6.805442      6.336094
  H      -8.773126     -6.462050      3.260090
  H      -7.933451     -7.680856      4.258114
  H      -6.999098     -5.814896      5.662037
  H      -8.894291     -4.246621      4.317253
  H      -7.366508     -3.682249      3.604173
  H      -6.824919     -3.851284      6.299765
  H      -8.947966     -1.874733      4.037082
  H      -8.948125      0.605106      4.090504
  H      -7.605110      1.860273      5.758857
  H      -6.034961      2.123777      7.482539
  H      -6.205873     -1.909076      7.397827
  H      -0.564016     -5.736936      7.384582
  H      -1.279696     -4.976353      8.821437
  H       0.190630     -4.286365      8.096964
  H      -1.744195     -2.856136      7.558375
  H      -1.062598     -3.532044      6.091841
  H      -3.592002     -3.290083      6.355420
  H      -3.340129     -5.850468      8.016761
  H      -3.868057     -4.249495      8.557581
  H      -5.139342     -5.695222      6.353274
  H      -5.581833     -7.863786      7.284549
  H      -7.134340     -9.089176      8.808257
  H      -8.420139     -7.859938     10.517495
  H      -9.149783     -6.003675     11.721635
  H      -6.688269     -4.138548      9.155799
  N      -4.983600     -3.073727      4.478163
  H      -5.307060     -2.183553      4.898862
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.693721918098
  N      -3.630953     -4.018974      2.172858
  C      -2.907609     -4.951468      1.312960
  C      -2.350997     -6.073791      2.166502
  N      -3.389978     -6.494692      3.130507
  C      -4.492689     -7.237892      2.484230
  C      -5.733480     -7.176703      3.351709
  N      -5.959165     -5.815620      3.848866
  Mo     -4.390495     -4.576819      3.894540
  N      -3.112703     -4.996922      5.328512
  C      -2.237216     -6.168989      5.255945
  C      -2.832270     -7.193973      4.307055
  H      -2.135466     -6.633189      6.249017
  H      -1.221083     -5.866861      4.944786
  H      -3.659855     -7.714155      4.807820
  H      -2.090248     -7.950726      4.000829
  H      -6.582261     -7.508302      2.734304
  H      -5.664649     -7.891589      4.195492
  H      -4.700725     -6.748872      1.523177
  H      -4.200731     -8.282782      2.280423
  H      -2.071831     -4.446854      0.807261
  H      -3.566612     -5.337667      0.512497
  H      -1.495704     -5.698223      2.744807
  H      -2.009365     -6.926968      1.556155
  C      -3.220604     -0.704244      0.252252
  C      -2.992855     -2.177561      0.585916
  C      -4.031936     -2.728209      1.566188
  C      -5.478806     -2.819430      0.966762
  N      -6.377511     -1.803952      1.474802
  C      -6.646092     -0.590723      0.845705
  C      -6.764099     -0.471425     -0.552759
  C      -7.086570      0.763609     -1.116316
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  S      -7.465921      3.133312      2.177641
  C      -6.851732      0.548322      1.642004
  C      -9.476370     -6.624121      5.292964
  C      -8.354107     -6.663948      4.260485
  C      -7.244992     -5.643383      4.606012
  C      -7.789799     -4.205587      4.500379
  N      -7.534968     -3.450032      5.718772
  C      -7.576207     -2.070695      5.711311
  C      -8.356941     -1.351283      4.785625
  C      -8.368976      0.044845      4.830955
  C      -7.598597      0.763336      5.746578
  C      -6.803928      0.052589      6.657428
  S      -5.776200      0.857807      7.853128
  C      -6.794815     -1.350201      6.641879
  C      -0.792053     -4.784877      7.861160
  C      -1.603173     -3.816522      7.011181
  C      -3.031239     -4.215795      6.591361
  C      -3.813180     -4.927411      7.704690
  N      -5.187894     -5.181224      7.255256
  C      -6.018727     -5.917267      8.155507
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  C      -7.592737     -5.926459      9.996159
  S      -8.457374     -4.986937     11.205125
  C      -6.719665     -5.231902      9.146941
  H      -2.428042     -0.339582     -0.418853
  H      -3.200728     -0.084498      1.163338
  H      -4.185622     -0.531976     -0.246407
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  H      -2.991034     -2.770351     -0.342988
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  H      -6.397772     -1.745318      2.497932
  H      -6.631785     -1.340471     -1.195764
  H      -7.177011      0.847919     -2.203135
  H      -7.575656      2.845445     -0.789042
  H      -7.751134      4.055603      1.232436
  H      -6.737086      0.463741      2.724241
  H     -10.242840     -7.386171      5.062518
  H      -9.970271     -5.646339      5.329199
  H      -9.082366     -6.832997      6.301836
  H      -8.745541     -6.473269      3.246014
  H      -7.951056     -7.683662      4.263590
  H      -7.024156     -5.827944      5.678123
  H      -8.869833     -4.244369      4.306771
  H      -7.342428     -3.713252      3.622709
  H      -6.819679     -3.854756      6.329750
  H      -8.973755     -1.878401      4.058105
  H      -8.990273      0.591777      4.123232
  H      -7.619809      1.856923      5.755607
  H      -6.012041      2.135842      7.435984
  H      -6.183387     -1.901500      7.358555
  H      -0.597084     -5.743568      7.363470
  H      -1.287273     -4.994210      8.813810
  H       0.178723     -4.341135      8.094555
  H      -1.711995     -2.878034      7.578627
  H      -1.050273     -3.548504      6.102013
  H      -3.566935     -3.284226      6.378521
  H      -3.306873     -5.865593      8.009319
  H      -3.838079     -4.270782      8.588330
  H      -5.132195     -5.694112      6.371026
  H      -5.632924     -7.835392      7.232971
  H      -7.216396     -9.066379      8.725001
  H      -8.459507     -7.863492     10.479096
  H      -9.168138     -6.026483     11.723350
  H      -6.600767     -4.149219      9.224880
  N      -4.998361     -3.075846      4.502075
  H      -5.326048     -2.199980      4.931972
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.693321119921
  N      -3.637021     -4.034553      2.162950
  C      -2.922253     -4.964752      1.298390
  C      -2.359184     -6.084581      2.150045
  N      -3.391278     -6.504857      3.120669
  C      -4.492696     -7.253660      2.481476
  C      -5.731645     -7.189248      3.348497
  N      -5.964749     -5.823663      3.830664
  Mo     -4.397617     -4.585747      3.884549
  N      -3.121283     -5.005658      5.319302
  C      -2.235571     -6.169121      5.242736
  C      -2.825563     -7.198972      4.296092
  H      -2.125255     -6.632013      6.235324
  H      -1.223880     -5.857717      4.927215
  H      -3.647963     -7.724963      4.799858
  H      -2.078944     -7.950458      3.988157
  H      -6.577141     -7.531362      2.732697
  H      -5.661662     -7.894801      4.200000
  H      -4.703372     -6.770703      1.518202
  H      -4.199410     -8.298186      2.282874
  H      -2.091906     -4.460244      0.786384
  H      -3.586632     -5.350020      0.504256
  H      -1.501844     -5.707250      2.722718
  H      -2.019756     -6.937629      1.539184
  C      -3.163293     -0.699844      0.257929
  C      -2.966280     -2.183686      0.590491
  C      -4.023398     -2.731755      1.561673
  C      -5.474833     -2.808132      0.947783
  N      -6.367808     -1.789331      1.462391
  C      -6.629957     -0.569143      0.848657
  C      -6.745592     -0.433187     -0.545320
  C      -7.071432      0.807853     -1.089818
  C      -7.293827      1.926278     -0.293195
  C      -7.179735      1.792120      1.095370
  S      -7.431664      3.138905      2.208861
  C      -6.840127      0.559432      1.659271
  C      -9.466585     -6.647049      5.300471
  C      -8.351254     -6.673848      4.246135
  C      -7.249271     -5.656420      4.585199
  C      -7.793949     -4.226462      4.472486
  N      -7.534517     -3.463731      5.679752
  C      -7.589188     -2.085422      5.678252
  C      -8.356512     -1.366240      4.734051
  C      -8.398193      0.017955      4.793485
  C      -7.680220      0.723340      5.749508
  C      -6.894818      0.016948      6.676418
  S      -5.938885      0.806824      7.932733
  C      -6.844203     -1.369612      6.635856
  C      -0.748201     -4.773725      7.834350
  C      -1.605798     -3.812793      6.991749
  C      -3.041882     -4.230915      6.585473
  C      -3.818518     -4.945380      7.697779
  N      -5.192971     -5.207864      7.247457
  C      -6.031662     -5.915704      8.160961
  C      -6.240002     -7.294823      8.023880
  C      -7.118208     -7.950291      8.888663
  C      -7.780163     -7.249038      9.893223
  C      -7.569739     -5.867236     10.037066
  S      -8.389386     -4.891863     11.258246
  C      -6.694738     -5.204945      9.163145
  H      -2.380406     -0.354376     -0.416763
  H      -3.117145     -0.085216      1.155531
  H      -4.125869     -0.499217     -0.226967
  H      -1.969248     -2.318144      1.052772
  H      -2.973837     -2.768305     -0.340783
  H      -4.082969     -2.028016      2.401429
  H      -5.425363     -2.731501     -0.140374
  H      -5.904862     -3.795525      1.190515
  H      -6.382921     -1.739757      2.475235
  H      -6.610920     -1.294536     -1.200058
  H      -7.165249      0.903389     -2.171279
  H      -7.555544      2.884545     -0.742876
  H      -7.675646      4.072718      1.251491
  H      -6.735566      0.462382      2.744090
  H     -10.216167     -7.410469      5.085890
  H      -9.985267     -5.678740      5.352934
  H      -9.057158     -6.853687      6.298870
  H      -8.752315     -6.477772      3.240433
  H      -7.935769     -7.688532      4.236228
  H      -7.033476     -5.838558      5.648078
  H      -8.879914     -4.270332      4.292192
  H      -7.355675     -3.740275      3.584997
  H      -6.810510     -3.866254      6.298890
  H      -8.939557     -1.886790      3.981732
  H      -9.009429      0.563583      4.070037
  H      -7.733382      1.800811      5.778201
  H      -6.188005      2.069816      7.512950
  H      -6.245793     -1.920341      7.370242
  H      -0.537864     -5.722925      7.331883
  H      -1.223689     -5.008826      8.804637
  H       0.225521     -4.304605      8.052123
  H      -1.719265     -2.879120      7.560499
  H      -1.069717     -3.527504      6.065882
  H      -3.583028     -3.305998      6.376259
  H      -3.309299     -5.878329      8.002591
  H      -3.844082     -4.289165      8.580331
  H      -5.144071     -5.731335      6.369066
  H      -5.712326     -7.847988      7.243627
  H      -7.287201     -9.022674      8.784380
  H      -8.466461     -7.775315     10.560387
  H      -9.006865     -5.910265     11.864033
  H      -6.548426     -4.125732      9.231026
  N      -5.009119     -3.080849      4.489534
  H      -5.334206     -2.201388      4.918676
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.694621968109
  N      -3.639234     -4.031487      2.156537
  C      -2.921301     -4.961720      1.290808
  C      -2.347471     -6.076854      2.142758
  N      -3.373875     -6.503153      3.117205
  C      -4.472337     -7.262110      2.482429
  C      -5.714145     -7.202690      3.347919
  N      -5.959557     -5.836859      3.825311
  Mo     -4.396594     -4.589156      3.878281
  N      -3.116891     -4.999227      5.314025
  C      -2.218672     -6.153412      5.236919
  C      -2.799023     -7.190135      4.292104
  H      -2.101505     -6.614589      6.229439
  H      -1.210754     -5.831190      4.919238
  H      -3.615049     -7.724023      4.797070
  H      -2.045163     -7.934033      3.984129
  H      -6.555826     -7.553101      2.731707
  H      -5.640448     -7.905234      4.201839
  H      -4.686273     -6.784466      1.517063
  H      -4.172304     -8.306412      2.288077
  H      -2.094059     -4.453721      0.773916
  H      -3.587654     -5.353794      0.499676
  H      -1.490562     -5.692492      2.712815
  H      -2.004084     -6.928698      1.531698
  C      -3.215157     -0.691092      0.266281
  C      -2.982681     -2.164012      0.589433
  C      -4.033602     -2.729777      1.557543
  C      -5.481406     -2.811998      0.940060
  N      -6.380600     -1.802391      1.458198
  C      -6.646988     -0.582327      0.847692
  C      -6.755391     -0.443060     -0.552060
  C      -7.077891      0.799261     -1.096865
  C      -7.307572      1.915722     -0.293273
  C      -7.200581      1.777881      1.100301
  S      -7.454314      3.121833      2.217781
  C      -6.859878      0.544482      1.661881
  C      -9.481775     -6.661382      5.246795
  C      -8.353250     -6.688632      4.211143
  C      -7.249717     -5.675606      4.573644
  C      -7.795423     -4.240492      4.480049
  N      -7.528720     -3.492571      5.698343
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  C      -8.324482     -1.378739      4.756219
  C      -8.331820      0.019081      4.804230
  C      -7.594714      0.721365      5.755266
  C      -6.826791     -0.002961      6.689210
  S      -5.849840      0.780602      7.938661
  C      -6.810005     -1.402920      6.659388
  C      -0.772375     -4.749996      7.857738
  C      -1.619569     -3.797837      7.001724
  C      -3.048729     -4.226153      6.582155
  C      -3.825804     -4.947780      7.691292
  N      -5.197171     -5.223744      7.239383
  C      -6.039762     -5.915179      8.163620
  C      -6.299831     -7.286564      8.015442
  C      -7.187478     -7.922253      8.888432
  C      -7.808630     -7.209675      9.911533
  C      -7.542924     -5.835976     10.068608
  S      -8.312408     -4.845065     11.309875
  C      -6.658677     -5.193321      9.187357
  H      -2.416231     -0.316659     -0.394270
  H      -3.213896     -0.077645      1.184665
  H      -4.175530     -0.525333     -0.243066
  H      -1.987447     -2.272265      1.052976
  H      -2.969492     -2.749763     -0.347720
  H      -4.103493     -2.028529      2.401878
  H      -5.425608     -2.727256     -0.158202
  H      -5.907307     -3.803723      1.178414
  H      -6.391450     -1.752567      2.471098
  H      -6.616182     -1.302603     -1.210585
  H      -7.164913      0.897896     -2.182430
  H      -7.566771      2.874967     -0.742657
  H      -7.732877      4.054976      1.279896
  H      -6.752787      0.445287      2.745111
  H     -10.233861     -7.423107      5.017758
  H      -9.993963     -5.690926      5.293198
  H      -9.087617     -6.871601      6.249633
  H      -8.739442     -6.484448      3.198657
  H      -7.944898     -7.707632      4.201156
  H      -7.037458     -5.872471      5.640269
  H      -8.883550     -4.278935      4.300874
  H      -7.356615     -3.741451      3.593456
  H      -6.805515     -3.902787      6.299484
  H      -8.917238     -1.895215      4.002664
  H      -8.926765      0.579984      4.072273
  H      -7.616175      1.813604      5.770082
  H      -6.123736      2.033653      7.566700
  H      -6.222635     -1.965913      7.395926
  H      -0.548084     -5.702422      7.361920
  H      -1.261643     -4.982263      8.815240
  H       0.193302     -4.271408      8.092990
  H      -1.742978     -2.860327      7.564874
  H      -1.074438     -3.516026      6.084882
  H      -3.598152     -3.301331      6.371633
  H      -3.311732     -5.876328      8.000227
  H      -3.859080     -4.290542      8.570765
  H      -5.142838     -5.756159      6.365979
  H      -5.806622     -7.849645      7.218908
  H      -7.397276     -8.988745      8.775092
  H      -8.503036     -7.720638     10.583299
  H      -9.077551     -5.837865     11.854769
  H      -6.472893     -4.119117      9.263803
  N      -5.003131     -3.083925      4.484345
  H      -5.322894     -2.200944      4.913632
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.694561771523
  N      -3.625872     -4.029107      2.159738
  C      -2.906499     -4.965479      1.298515
  C      -2.332395     -6.076886      2.154716
  N      -3.360409     -6.501849      3.128653
  C      -4.456582     -7.265189      2.494280
  C      -5.700413     -7.203837      3.356103
  N      -5.948919     -5.836878      3.827987
  Mo     -4.388950     -4.585874      3.880036
  N      -3.114978     -4.988053      5.322794
  C      -2.212344     -6.139827      5.250647
  C      -2.786862     -7.182705      4.308189
  H      -2.096098     -6.597701      6.244856
  H      -1.204865     -5.815239      4.934105
  H      -3.603023     -7.716936      4.812728
  H      -2.029677     -7.925980      4.005451
  H      -6.539635     -7.558154      2.739649
  H      -5.627607     -7.902346      4.212880
  H      -4.667917     -6.792498      1.526234
  H      -4.155006     -8.310100      2.305392
  H      -2.079446     -4.459841      0.779114
  H      -3.572821     -5.363434      0.507856
  H      -1.475977     -5.689614      2.724465
  H      -1.987421     -6.931336      1.546772
  C      -3.228456     -0.706382      0.258193
  C      -2.989571     -2.178628      0.576825
  C      -4.026917     -2.737044      1.550575
  C      -5.470703     -2.824082      0.940639
  N      -6.376715     -1.819684      1.455786
  C      -6.647224     -0.601245      0.841816
  C      -6.756996     -0.465620     -0.555284
  C      -7.083410      0.774904     -1.101568
  C      -7.323071      1.893344     -0.296234
  C      -7.220691      1.758203      1.098608
  S      -7.507583      3.101930      2.230053
  C      -6.869536      0.526625      1.655877
  C      -9.510874     -6.631294      5.166202
  C      -8.365020     -6.669201      4.168352
  C      -7.247424     -5.670031      4.564275
  C      -7.778713     -4.225036      4.482216
  N      -7.506223     -3.488010      5.708529
  C      -7.551602     -2.110135      5.718480
  C      -8.343537     -1.388475      4.812325
  C      -8.358895      0.004436      4.878399
  C      -7.581610      0.717082      5.797159
  C      -6.772308      0.006228      6.683868
  S      -5.735847      0.806553      7.878616
  C      -6.759298     -1.393789      6.647098
  C      -0.801763     -4.729292      7.872638
  C      -1.646900     -3.771678      7.025735
  C      -3.063287     -4.211898      6.591452
  C      -3.838845     -4.947904      7.693627
  N      -5.205327     -5.226606      7.237511
  C      -6.051866     -5.915402      8.154905
  C      -6.354427     -7.274880      7.972788
  C      -7.246152     -7.910459      8.840376
  C      -7.822456     -7.213145      9.895324
  C      -7.516334     -5.851493     10.084310
  S      -8.223344     -4.882338     11.369050
  C      -6.637246     -5.205682      9.205727
  H      -2.433765     -0.328995     -0.404701
  H      -3.224840     -0.094029      1.178514
  H      -4.190582     -0.542254     -0.244930
  H      -1.994393     -2.288054      1.026855
  H      -2.985449     -2.764802     -0.354953
  H      -4.101603     -2.029810      2.385940
  H      -5.422521     -2.748262     -0.154248
  H      -5.892735     -3.813946      1.181175
  H      -6.395182     -1.767444      2.478895
  H      -6.619216     -1.325965     -1.207777
  H      -7.173232      0.871537     -2.183241
  H      -7.591883      2.850229     -0.742366
  H      -7.781179      4.035531      1.291539
  H      -6.768185      0.428168      2.740022
  H     -10.284990     -7.383161      4.894398
  H      -9.989899     -5.646231      5.205015
  H      -9.144138     -6.865054      6.185053
  H      -8.727774     -6.453024      3.145091
  H      -7.980513     -7.696897      4.163302
  H      -7.044562     -5.885274      5.639677
  H      -8.860306     -4.251012      4.295156
  H      -7.333961     -3.724701      3.605457
  H      -6.783482     -3.894157      6.291863
  H      -8.968288     -1.912461      4.084502
  H      -8.990456      0.552276      4.189469
  H      -7.606447      1.806900      5.823968
  H      -5.973676      2.081480      7.482862
  H      -6.138963     -1.946935      7.346709
  H      -0.548683     -5.677507      7.364356
  H      -1.307155     -4.982001      8.813395
  H       0.149377     -4.240473      8.130058
  H      -1.795521     -2.838828      7.600773
  H      -1.092131     -3.470612      6.123169
  H      -3.625562     -3.287691      6.380314
  H      -3.317784     -5.878732      7.995452
  H      -3.881783     -4.296957      8.579062
  H      -5.142150     -5.761408      6.369032
  H      -5.891713     -7.828638      7.153537
  H      -7.488109     -8.968501      8.701201
  H      -8.511738     -7.724695     10.565218
  H      -8.939400     -5.883775     11.923680
  H      -6.421632     -4.139188      9.308989
  N      -5.000107     -3.078713      4.476453
  H      -5.321295     -2.196998      4.907897
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.695797371553
  N      -3.630427     -4.031352      2.150988
  C      -2.914973     -4.967513      1.286844
  C      -2.337258     -6.078057      2.141376
  N      -3.360104     -6.503128      3.120718
  C      -4.456088     -7.271823      2.492614
  C      -5.698088     -7.209308      3.357830
  N      -5.953578     -5.838956      3.818771
  Mo     -4.394060     -4.587696      3.872523
  N      -3.119379     -4.988177      5.315574
  C      -2.208796     -6.133492      5.240878
  C      -2.779588     -7.179971      4.299644
  H      -2.085854     -6.590049      6.234615
  H      -1.205010     -5.802034      4.920702
  H      -3.591511     -7.718543      4.806610
  H      -2.018936     -7.919023      3.995342
  H      -6.536994     -7.574202      2.745965
  H      -5.619615     -7.900139      4.221217
  H      -4.671410     -6.804098      1.522897
  H      -4.152606     -8.316587      2.307855
  H      -2.090623     -4.462418      0.763488
  H      -3.584953     -5.365271      0.500086
  H      -1.479217     -5.690373      2.707215
  H      -1.994407     -6.931916      1.532341
  C      -3.195332     -0.690694      0.264676
  C      -2.980539     -2.174076      0.574816
  C      -4.027267     -2.734320      1.543870
  C      -5.473204     -2.819349      0.928820
  N      -6.379733     -1.814658      1.443510
  C      -6.644777     -0.592480      0.831993
  C      -6.750697     -0.451014     -0.566425
  C      -7.072050      0.792312     -1.110162
  C      -7.309026      1.907765     -0.302091
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  S      -7.486757      3.108864      2.223685
  C      -6.861533      0.533084      1.646927
  C      -9.503094     -6.663191      5.178260
  C      -8.356434     -6.681352      4.162009
  C      -7.252045     -5.678106      4.555180
  C      -7.790991     -4.237315      4.476695
  N      -7.527462     -3.501185      5.705214
  C      -7.570143     -2.121360      5.717945
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  C      -8.342571      0.009506      4.844921
  C      -7.591404      0.713171      5.787799
  C      -6.816982     -0.012653      6.709335
  S      -5.818421      0.773620      7.942534
  C      -6.806347     -1.415100      6.674749
  C      -0.825221     -4.725327      7.878395
  C      -1.657435     -3.775678      7.022843
  C      -3.070761     -4.213317      6.584173
  C      -3.846327     -4.949518      7.684447
  N      -5.211013     -5.240404      7.227515
  C      -6.055555     -5.912399      8.155693
  C      -6.401239     -7.258866      7.964666
  C      -7.283722     -7.881516      8.848179
  C      -7.810529     -7.184479      9.927041
  C      -7.461758     -5.835803     10.125186
  S      -8.104622     -4.866337     11.441107
  C      -6.590125     -5.202651      9.231987
  H      -2.408997     -0.323672     -0.402599
  H      -3.165730     -0.086357      1.179385
  H      -4.158052     -0.501516     -0.223545
  H      -1.984766     -2.302687      1.028230
  H      -2.985503     -2.750221     -0.362214
  H      -4.098844     -2.030765      2.383180
  H      -5.422762     -2.739513     -0.164171
  H      -5.896024     -3.810444      1.166642
  H      -6.400201     -1.767646      2.465704
  H      -6.611756     -1.309195     -1.223695
  H      -7.155888      0.893096     -2.195333
  H      -7.572240      2.867273     -0.746925
  H      -7.774457      4.043097      1.294200
  H      -6.757899      0.431323      2.728544
  H     -10.252174     -7.424418      4.925601
  H     -10.014871     -5.692992      5.223474
  H      -9.128598     -6.884026      6.188231
  H      -8.723637     -6.462731      3.142374
  H      -7.953212     -7.705342      4.146943
  H      -7.050810     -5.892327      5.623821
  H      -8.875153     -4.267705      4.291216
  H      -7.345768     -3.731112      3.600121
  H      -6.805213     -3.915167      6.307760
  H      -8.933273     -1.902699      4.034314
  H      -8.947681      0.568729      4.128617
  H      -7.610727      1.806740      5.808603
  H      -6.061437      2.048561      7.550822
  H      -6.212707     -1.979095      7.400068
  H      -0.579743     -5.670001      7.374030
  H      -1.332072     -4.968737      8.817509
  H       0.123291     -4.244161      8.139604
  H      -1.799977     -2.842521      7.592690
  H      -1.101708     -3.485769      6.121173
  H      -3.629667     -3.292779      6.370676
  H      -3.321078     -5.876849      7.987492
  H      -3.893155     -4.298866      8.570050
  H      -5.146844     -5.785922      6.365847
  H      -5.975997     -7.814197      7.127878
  H      -7.556893     -8.929168      8.702119
  H      -8.494148     -7.686297     10.609070
  H      -8.833700     -5.854743     12.001482
  H      -6.339908     -4.146006      9.345745
  N      -5.011466     -3.086375      4.471901
  H      -5.332214     -2.208507      4.907572
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.695332667851
  N      -3.637510     -4.039365      2.133150
  C      -2.928534     -4.971209      1.261346
  C      -2.331238     -6.076694      2.110526
  N      -3.339790     -6.510802      3.101046
  C      -4.431550     -7.292539      2.483693
  C      -5.672163     -7.234027      3.350584
  N      -5.941944     -5.863341      3.802438
  Mo     -4.391418     -4.600689      3.857226
  N      -3.109257     -4.993934      5.296826
  C      -2.182479     -6.125935      5.214859
  C      -2.743358     -7.179250      4.276242
  H      -2.045864     -6.581142      6.207055
  H      -1.186298     -5.779204      4.887550
  H      -3.544958     -7.729451      4.787536
  H      -1.974176     -7.906998      3.967392
  H      -6.505636     -7.609689      2.740318
  H      -5.589407     -7.917774      4.218038
  H      -4.653959     -6.833066      1.511538
  H      -4.120387     -8.335684      2.304501
  H      -2.116370     -4.460822      0.725549
  H      -3.606378     -5.373839      0.486711
  H      -1.471044     -5.681010      2.666807
  H      -1.987173     -6.927136      1.498437
  C      -3.206494     -0.698569      0.263509
  C      -2.978106     -2.173607      0.573058
  C      -4.035768     -2.741241      1.531114
  C      -5.479860     -2.824479      0.910452
  N      -6.383955     -1.823821      1.437771
  C      -6.645597     -0.594057      0.842264
  C      -6.749438     -0.435184     -0.551565
  C      -7.069227      0.814943     -1.079781
  C      -7.297368      1.920144     -0.266771
  C      -7.193841      1.763129      1.119834
  S      -7.445034      3.093171      2.247806
  C      -6.860542      0.521161      1.667379
  C      -9.510746     -6.696089      5.109702
  C      -8.347024     -6.705506      4.111305
  C      -7.245030     -5.714334      4.529710
  C      -7.776968     -4.273600      4.466594
  N      -7.506885     -3.554043      5.699995
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  C      -8.321804     -1.428307      4.811085
  C      -8.352453     -0.042884      4.902470
  C      -7.639907      0.632622      5.884502
  C      -6.876321     -0.106883      6.809467
  S      -5.933057      0.643429      8.100647
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  C      -0.761892     -4.691529      7.846363
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  C      -3.058126     -4.221271      6.566506
  C      -3.825743     -4.953048      7.671446
  N      -5.190901     -5.266715      7.216670
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  C      -7.891254     -7.021111      9.964987
  C      -7.458124     -5.695749     10.146408
  S      -8.062770     -4.657204     11.452674
  C      -6.540799     -5.134989      9.239639
  H      -2.400001     -0.318586     -0.386536
  H      -3.213349     -0.097540      1.189697
  H      -4.164145     -0.525873     -0.253043
  H      -1.985144     -2.289418      1.042845
  H      -2.958948     -2.749388     -0.370605
  H      -4.112340     -2.041966      2.374597
  H      -5.427942     -2.733336     -0.177622
  H      -5.902018     -3.815854      1.137828
  H      -6.393303     -1.783987      2.444767
  H      -6.606873     -1.285946     -1.220827
  H      -7.152165      0.928100     -2.162349
  H      -7.551691      2.886448     -0.704155
  H      -7.682222      4.040476      1.300225
  H      -6.762859      0.406687      2.749144
  H     -10.255215     -7.450827      4.838254
  H     -10.024562     -5.724353      5.162968
  H      -9.150670     -6.930718      6.121920
  H      -8.694716     -6.474991      3.092504
  H      -7.949296     -7.727377      4.092010
  H      -7.056038     -5.944929      5.591659
  H      -8.864618     -4.297759      4.292396
  H      -7.336890     -3.762494      3.589492
  H      -6.772028     -3.957608      6.278644
  H      -8.894973     -1.923751      4.034432
  H      -8.947061      0.529293      4.179961
  H      -7.679991      1.712910      5.934617
  H      -6.180365      1.914103      7.718619
  H      -6.250538     -2.069232      7.464181
  H      -0.506523     -5.626426      7.343380
  H      -1.244855     -4.951077      8.804718
  H       0.188699     -4.185030      8.089559
  H      -1.780500     -2.831123      7.554594
  H      -1.101556     -3.463635      6.070161
  H      -3.619536     -3.311893      6.352515
  H      -3.295382     -5.865693      7.987150
  H      -3.874801     -4.293352      8.545798
  H      -5.130372     -5.834300      6.366419
  H      -6.095228     -7.804564      7.150486
  H      -7.737031     -8.795665      8.755262
  H      -8.614352     -7.466860     10.659918
  H      -8.935447     -5.562862     12.004348
  H      -6.231114     -4.092524      9.341842
  N      -5.014722     -3.102147      4.459693
  H      -5.332378     -2.226187      4.901497
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.696952458326
  N      -3.637638     -4.036156      2.139648
  C      -2.926823     -4.971097      1.270036
  C      -2.325367     -6.071415      2.123028
  N      -3.332906     -6.506397      3.114625
  C      -4.420545     -7.297146      2.500100
  C      -5.664611     -7.238817      3.362071
  N      -5.945352     -5.865758      3.802311
  Mo     -4.396946     -4.597910      3.861234
  N      -3.119095     -4.981761      5.307483
  C      -2.181250     -6.105126      5.228950
  C      -2.732326     -7.166323      4.292832
  H      -2.041017     -6.556473      6.222600
  H      -1.187906     -5.750032      4.901198
  H      -3.529872     -7.721455      4.804734
  H      -1.956808     -7.888705      3.987298
  H      -6.492789     -7.624620      2.750821
  H      -5.581049     -7.915705      4.235107
  H      -4.642243     -6.845512      1.524103
  H      -4.104517     -8.340629      2.328820
  H      -2.115632     -4.460992      0.730690
  H      -3.605459     -5.379561      0.497509
  H      -1.466810     -5.670221      2.678817
  H      -1.977484     -6.922832      1.513703
  C      -3.202361     -0.694592      0.265477
  C      -2.978029     -2.172282      0.574052
  C      -4.036073     -2.739125      1.532958
  C      -5.479791     -2.824953      0.908527
  N      -6.392053     -1.829389      1.432307
  C      -6.653098     -0.598878      0.838310
  C      -6.751595     -0.437495     -0.558373
  C      -7.072249      0.813045     -1.085048
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  S      -7.481681      3.083368      2.262601
  C      -6.876911      0.514140      1.668909
  C      -9.539086     -6.687186      5.048263
  C      -8.361107     -6.701487      4.076063
  C      -7.257879     -5.717244      4.515668
  C      -7.783125     -4.275142      4.453388
  N      -7.514995     -3.555578      5.688312
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  C      -8.313664     -1.422387      4.794388
  C      -8.320954     -0.027855      4.875722
  C      -7.583717      0.653608      5.841561
  C      -6.820527     -0.089963      6.760684
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  C      -6.808010     -1.488102      6.701259
  C      -0.801351     -4.680638      7.867954
  C      -1.673746     -3.745948      7.015936
  C      -3.084756     -4.212723      6.580049
  C      -3.850526     -4.958511      7.679436
  N      -5.208802     -5.286848      7.221394
  C      -6.070635     -5.902573      8.167031
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  C      -7.873627     -7.042029      9.988866
  C      -7.400953     -5.734587     10.193814
  S      -7.917657     -4.729422     11.551257
  C      -6.504481     -5.168547      9.277181
  H      -2.400114     -0.318363     -0.387920
  H      -3.202081     -0.093881      1.188899
  H      -4.161390     -0.515938     -0.244281
  H      -1.984225     -2.293782      1.040674
  H      -2.963755     -2.746747     -0.368806
  H      -4.115892     -2.037703      2.374317
  H      -5.424189     -2.729866     -0.185195
  H      -5.900610     -3.820115      1.133801
  H      -6.408948     -1.792073      2.448046
  H      -6.606833     -1.286420     -1.228687
  H      -7.152883      0.928022     -2.168093
  H      -7.565819      2.883010     -0.701521
  H      -7.763267      4.028267      1.339455
  H      -6.784268      0.397053      2.753067
  H     -10.287489     -7.438775      4.757193
  H     -10.041890     -5.714076      5.090831
  H      -9.198178     -6.926567      6.067026
  H      -8.690654     -6.467545      3.052973
  H      -7.973406     -7.723802      4.062609
  H      -7.081397     -5.954383      5.580575
  H      -8.867090     -4.294192      4.269365
  H      -7.335693     -3.766512      3.583782
  H      -6.781846     -3.973013      6.278253
  H      -8.904725     -1.921849      4.028583
  H      -8.915233      0.547286      4.158213
  H      -7.601561      1.743639      5.880371
  H      -6.093124      1.938496      7.662953
  H      -6.223225     -2.066165      7.424972
  H      -0.522134     -5.609473      7.355019
  H      -1.298844     -4.957712      8.812322
  H       0.136759     -4.165988      8.132952
  H      -1.834549     -2.819871      7.589158
  H      -1.129477     -3.435330      6.105727
  H      -3.656545     -3.303450      6.369074
  H      -3.309761     -5.869734      7.993052
  H      -3.911893     -4.302505      8.557053
  H      -5.140091     -5.858235      6.376391
  H      -6.195775     -7.784566      7.105870
  H      -7.813517     -8.778565      8.723416
  H      -8.576161     -7.491736     10.692920
  H      -8.700458     -5.658653     12.135958
  H      -6.163262     -4.138963      9.400758
  N      -5.027237     -3.099930      4.456816
  H      -5.343332     -2.221185      4.895989
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.696550816499
  N      -3.627587     -4.046480      2.124887
  C      -2.922770     -4.991648      1.260876
  C      -2.323642     -6.087639      2.120178
  N      -3.329266     -6.513380      3.117502
  C      -4.419989     -7.308011      2.511090
  C      -5.662279     -7.239228      3.375134
  N      -5.941812     -5.859222      3.798525
  Mo     -4.390193     -4.598594      3.852119
  N      -3.115857     -4.975113      5.303051
  C      -2.174846     -6.096509      5.230415
  C      -2.726394     -7.164886      4.300774
  H      -2.033299     -6.541893      6.226856
  H      -1.182703     -5.741596      4.899355
  H      -3.523667     -7.716241      4.817718
  H      -1.950972     -7.889976      3.999303
  H      -6.492986     -7.636546      2.772354
  H      -5.573566     -7.903778      4.258464
  H      -4.642502     -6.866213      1.531156
  H      -4.106038     -8.353149      2.349902
  H      -2.110868     -4.489929      0.716661
  H      -3.605082     -5.402895      0.491759
  H      -1.461942     -5.685724      2.671074
  H      -1.980602     -6.944658      1.515371
  C      -3.188865     -0.693236      0.260778
  C      -2.981744     -2.185251      0.549386
  C      -4.025263     -2.748849      1.512953
  C      -5.469544     -2.830749      0.892889
  N      -6.385296     -1.836330      1.414874
  C      -6.647268     -0.606139      0.817647
  C      -6.746211     -0.447329     -0.576957
  C      -7.067225      0.802051     -1.105547
  C      -7.313352      1.906934     -0.283658
  C      -7.224161      1.748516      1.109028
  S      -7.521252      3.074480      2.260862
  C      -6.878083      0.507490      1.647714
  C      -9.538165     -6.675844      5.041116
  C      -8.359790     -6.678717      4.056500
  C      -7.253709     -5.702942      4.511969
  C      -7.778471     -4.254323      4.470592
  N      -7.501375     -3.547067      5.712986
  C      -7.546264     -2.168113      5.749494
  C      -8.310842     -1.423059      4.832240
  C      -8.328208     -0.030541      4.924875
  C      -7.581577      0.658079      5.884352
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  S      -5.812519      0.691689      8.038500
  C      -6.785214     -1.475224      6.719927
  C      -0.861517     -4.637913      7.894803
  C      -1.706023     -3.714263      7.029605
  C      -3.098401     -4.197726      6.571871
  C      -3.857849     -4.958426      7.668696
  N      -5.209957     -5.303085      7.212790
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  C      -6.582254     -7.201126      7.932018
  C      -7.487376     -7.758010      8.836983
  C      -7.871256     -7.061598      9.975590
  C      -7.352751     -5.775222     10.209546
  S      -7.800793     -4.807976     11.607484
  C      -6.462492     -5.203025      9.295730
  H      -2.403330     -0.317694     -0.398340
  H      -3.158100     -0.104048      1.182948
  H      -4.148930     -0.492736     -0.223986
  H      -1.987810     -2.327888      0.994519
  H      -2.996607     -2.748691     -0.390574
  H      -4.099396     -2.046235      2.352326
  H      -5.418910     -2.740203     -0.200114
  H      -5.889900     -3.826735      1.118132
  H      -6.406146     -1.799679      2.438776
  H      -6.603136     -1.296406     -1.242572
  H      -7.146385      0.916219     -2.187295
  H      -7.576805      2.871406     -0.715572
  H      -7.766818      4.023936      1.322274
  H      -6.786363      0.390678      2.728697
  H     -10.276861     -7.429678      4.750920
  H     -10.056036     -5.706302      5.090456
  H      -9.195990     -6.916355      6.057482
  H      -8.695061     -6.421519      3.027203
  H      -7.966347     -7.714149      4.020212
  H      -7.073861     -5.955901      5.578180
  H      -8.864673     -4.267736      4.290489
  H      -7.332244     -3.732617      3.599586
  H      -6.773681     -3.969690      6.293506
  H      -8.912019     -1.928964      4.073486
  H      -8.938503      0.534669      4.226349
  H      -7.608423      1.746677      5.932827
  H      -6.044412      1.976617      7.660002
  H      -6.191090     -2.048301      7.431662
  H      -0.561270     -5.568429      7.386516
  H      -1.383606     -4.911191      8.810474
  H       0.055901     -4.119504      8.190437
  H      -1.888542     -2.785428      7.599472
  H      -1.145837     -3.404182      6.142117
  H      -3.686862     -3.291408      6.351263
  H      -3.302575     -5.868001      7.978374
  H      -3.930503     -4.306511      8.550919
  H      -5.133222     -5.883109      6.376753
  H      -6.264083     -7.763483      7.053667
  H      -7.888044     -8.759159      8.661672
  H      -8.568621     -7.513179     10.677064
  H      -8.674136     -5.710728     12.140204
  H      -6.089280     -4.187726      9.444802
  N      -5.017075     -3.094478      4.438828
  H      -5.330682     -2.214503      4.879419
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.697834696458
  N      -3.634871     -4.042698      2.125576
  C      -2.930733     -4.985309      1.257110
  C      -2.319464     -6.078152      2.112940
  N      -3.317545     -6.511602      3.115477
  C      -4.403643     -7.316322      2.515120
  C      -5.646564     -7.251207      3.378897
  N      -5.938351     -5.871103      3.794195
  Mo     -4.392656     -4.602058      3.851153
  N      -3.115611     -4.973247      5.302015
  C      -2.162115     -6.084078      5.224631
  C      -2.704964     -7.157315      4.296341
  H      -2.011334     -6.528380      6.219969
  H      -1.175526     -5.717586      4.889345
  H      -3.495203     -7.717023      4.815104
  H      -1.923077     -7.873802      3.992354
  H      -6.472047     -7.657282      2.776365
  H      -5.555227     -7.910363      4.265332
  H      -4.629722     -6.881009      1.532867
  H      -4.083152     -8.360469      2.358800
  H      -2.125798     -4.478906      0.705856
  H      -3.616415     -5.401583      0.494368
  H      -1.458113     -5.670177      2.659519
  H      -1.973126     -6.932223      1.506347
  C      -3.196018     -0.695944      0.263408
  C      -2.980762     -2.181556      0.556041
  C      -4.034835     -2.747821      1.513366
  C      -5.476482     -2.834036      0.889283
  N      -6.395897     -1.846035      1.415331
  C      -6.654401     -0.611918      0.824968
  C      -6.744452     -0.444076     -0.571992
  C      -7.059589      0.809034     -1.097040
  C      -7.304326      1.908711     -0.272320
  C      -7.218421      1.742095      1.119478
  S      -7.502007      3.063332      2.267830
  C      -6.881769      0.497083      1.657594
  C      -9.557872     -6.689894      4.973087
  C      -8.360560     -6.689876      4.017931
  C      -7.258223     -5.721382      4.494498
  C      -7.777561     -4.273807      4.456233
  N      -7.501114     -3.572576      5.700795
  C      -7.551001     -2.194483      5.752323
  C      -8.304905     -1.436499      4.831527
  C      -8.317816     -0.044902      4.930876
  C      -7.580999      0.629690      5.903542
  C      -6.816492     -0.118961      6.813552
  S      -5.839651      0.631214      8.084854
  C      -6.799891     -1.515063      6.737155
  C      -0.829492     -4.632461      7.875328
  C      -1.702257     -3.711751      7.020003
  C      -3.099015     -4.201094      6.573535
  C      -3.852458     -4.961497      7.672446
  N      -5.202770     -5.320812      7.217915
  C      -6.073837     -5.903542      8.169893
  C      -6.644673     -7.164027      7.938954
  C      -7.565276     -7.686477      8.850668
  C      -7.911872     -6.981298      9.999754
  C      -7.336443     -5.720921     10.237100
  S      -7.732330     -4.742229     11.650011
  C      -6.426850     -5.183628      9.317903
  H      -2.398372     -0.315895     -0.387582
  H      -3.186164     -0.105932      1.190866
  H      -4.154164     -0.505225     -0.237597
  H      -1.987929     -2.315495      1.015279
  H      -2.977516     -2.746915     -0.389022
  H      -4.115482     -2.045327      2.353121
  H      -5.424376     -2.736961     -0.201797
  H      -5.893896     -3.830091      1.108736
  H      -6.416200     -1.813350      2.435305
  H      -6.596480     -1.289465     -1.244149
  H      -7.129912      0.929873     -2.182479
  H      -7.559018      2.877026     -0.703785
  H      -7.815583      4.007895      1.366671
  H      -6.792884      0.374417      2.738554
  H     -10.297347     -7.438878      4.656475
  H     -10.066621     -5.717241      5.020030
  H      -9.238557     -6.943560      5.996534
  H      -8.671540     -6.431462      2.989303
  H      -7.975695     -7.719737      3.988622
  H      -7.093364     -5.981395      5.558095
  H      -8.863173     -4.283832      4.277102
  H      -7.330373     -3.752346      3.588881
  H      -6.766891     -3.991978      6.273536
  H      -8.895648     -1.930541      4.060834
  H      -8.915817      0.532755      4.223748
  H      -7.602281      1.718267      5.955828
  H      -6.074137      1.914064      7.718852
  H      -6.214407     -2.098174      7.453030
  H      -0.526299     -5.551425      7.357614
  H      -1.334571     -4.922442      8.807117
  H       0.091092     -4.105153      8.158617
  H      -1.883959     -2.789251      7.595241
  H      -1.155307     -3.392240      6.119183
  H      -3.687650     -3.300643      6.358551
  H      -3.292154     -5.862575      7.987769
  H      -3.928268     -4.305700      8.550504
  H      -5.125718     -5.913800      6.389030
  H      -6.356151     -7.735829      7.054235
  H      -8.009002     -8.667795      8.671985
  H      -8.624616     -7.405787     10.707629
  H      -8.585746     -5.629524     12.211023
  H      -6.009818     -4.186885      9.474282
  N      -5.029561     -3.104992      4.438446
  H      -5.342362     -2.227212      4.881514
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.697257717674
  N      -3.636592     -4.042809      2.122354
  C      -2.931185     -4.985275      1.252737
  C      -2.308799     -6.071963      2.109436
  N      -3.301207     -6.510966      3.115960
  C      -4.380962     -7.327343      2.520039
  C      -5.627516     -7.264725      3.378844
  N      -5.933170     -5.884284      3.784766
  Mo     -4.393514     -4.606073      3.846361
  N      -3.116123     -4.967154      5.300507
  C      -2.149583     -6.066943      5.223888
  C      -2.681050     -7.147241      4.297932
  H      -1.992217     -6.507669      6.219457
  H      -1.167944     -5.689658      4.886195
  H      -3.465059     -7.714086      4.818179
  H      -1.891757     -7.855682      3.995023
  H      -6.444974     -7.679798      2.774440
  H      -5.535954     -7.917879      4.268323
  H      -4.607438     -6.900515      1.533965
  H      -4.053178     -8.370876      2.371446
  H      -2.131233     -4.475795      0.695164
  H      -3.619209     -5.408587      0.495641
  H      -1.449200     -5.656054      2.652986
  H      -1.957215     -6.924545      1.503691
  C      -3.204795     -0.702944      0.258286
  C      -2.977398     -2.180835      0.553883
  C      -4.038612     -2.749809      1.507579
  C      -5.479601     -2.840747      0.879072
  N      -6.404674     -1.860242      1.409622
  C      -6.668584     -0.623237      0.829445
  C      -6.765918     -0.450405     -0.561613
  C      -7.098526      0.802740     -1.072393
  C      -7.346153      1.898183     -0.243985
  C      -7.254207      1.726453      1.142000
  S      -7.542239      3.042295      2.294213
  C      -6.908834      0.480476      1.671818
  C      -9.580002     -6.697045      4.887369
  C      -8.362060     -6.699112      3.967577
  C      -7.262508     -5.741391      4.470789
  C      -7.771830     -4.292766      4.442751
  N      -7.501434     -3.604858      5.696845
  C      -7.543623     -2.225130      5.767702
  C      -8.281875     -1.442755      4.849638
  C      -8.274034     -0.047791      4.961544
  C      -7.533383      0.606069      5.944990
  C      -6.786200     -0.167903      6.854394
  S      -5.804521      0.554646      8.139128
  C      -6.791217     -1.567313      6.766157
  C      -0.822294     -4.597615      7.875032
  C      -1.712812     -3.691147      7.015270
  C      -3.107205     -4.196370      6.571812
  C      -3.855023     -4.956582      7.672192
  N      -5.198164     -5.343522      7.218187
  C      -6.083018     -5.896842      8.171754
  C      -6.706407     -7.130188      7.936577
  C      -7.642455     -7.617895      8.852229
  C      -7.956539     -6.905891     10.010814
  C      -7.330452     -5.672960     10.251577
  S      -7.678091     -4.684936     11.680053
  C      -6.402878     -5.170342      9.328487
  H      -2.401252     -0.318786     -0.387685
  H      -3.212296     -0.111232      1.188340
  H      -4.161969     -0.523940     -0.251863
  H      -1.985126     -2.304840      1.021899
  H      -2.959438     -2.748387     -0.394487
  H      -4.124819     -2.047096      2.347237
  H      -5.425037     -2.735997     -0.212929
  H      -5.892840     -3.839170      1.094161
  H      -6.421512     -1.831027      2.424340
  H      -6.613355     -1.292764     -1.239405
  H      -7.182996      0.925866     -2.148251
  H      -7.613271      2.867109     -0.665524
  H      -7.696195      4.002524      1.312637
  H      -6.821780      0.353604      2.753309
  H     -10.317285     -7.440701      4.549142
  H     -10.081508     -5.725074      4.923851
  H      -9.286217     -6.955428      5.915319
  H      -8.645669     -6.438439      2.939570
  H      -7.989153     -7.723630      3.946749
  H      -7.114925     -6.013388      5.532231
  H      -8.854083     -4.293938      4.257323
  H      -7.317797     -3.769918      3.586454
  H      -6.763820     -4.034526      6.276391
  H      -8.872994     -1.919170      4.068437
  H      -8.857101      0.550748      4.252272
  H      -7.535056      1.699125      6.004473
  H      -6.037814      1.837770      7.803739
  H      -6.217061     -2.169197      7.479694
  H      -0.504374     -5.510417      7.358633
  H      -1.321480     -4.897495      8.809710
  H       0.092127     -4.052488      8.158567
  H      -1.901243     -2.769303      7.586145
  H      -1.172083     -3.368700      6.109117
  H      -3.700477     -3.303607      6.356312
  H      -3.286513     -5.843192      8.001956
  H      -3.940876     -4.290993      8.539263
  H      -5.114082     -5.952559      6.402319
  H      -6.444002     -7.710336      7.047233
  H      -8.124023     -8.578300      8.669748
  H      -8.681767     -7.303554     10.724465
  H      -8.538811     -5.546264     12.256118
  H      -5.946978     -4.192821      9.493562
  N      -5.040492     -3.111616      4.428992
  H      -5.351404     -2.234885      4.873545
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.698444805629
  N      -3.641023     -4.052924      2.113731
  C      -2.941308     -5.000994      1.247080
  C      -2.314833     -6.081805      2.107912
  N      -3.302619     -6.516249      3.120479
  C      -4.381526     -7.340189      2.533426
  C      -5.627556     -7.271050      3.391609
  N      -5.937223     -5.885802      3.780374
  Mo     -4.398675     -4.608586      3.840924
  N      -3.122265     -4.961030      5.298100
  C      -2.148107     -6.054300      5.223859
  C      -2.676531     -7.142868      4.304858
  H      -1.984712     -6.489087      6.221372
  H      -1.170217     -5.672166      4.880732
  H      -3.456815     -7.710261      4.830460
  H      -1.884763     -7.849600      4.003853
  H      -6.443519     -7.697465      2.792216
  H      -5.533389     -7.912783      4.289725
  H      -4.609370     -6.924554      1.543175
  H      -4.052135     -8.384168      2.395654
  H      -2.144732     -4.495947      0.682521
  H      -3.633431     -5.428313      0.496492
  H      -1.453741     -5.661647      2.645970
  H      -1.964564     -6.937606      1.505835
  C      -3.190809     -0.712099      0.247591
  C      -2.976451     -2.195767      0.541675
  C      -4.038987     -2.758848      1.494914
  C      -5.480736     -2.844777      0.864609
  N      -6.406771     -1.863242      1.395160
  C      -6.659470     -0.622063      0.817536
  C      -6.744312     -0.439337     -0.576048
  C      -7.062736      0.818146     -1.086264
  C      -7.309572      1.908284     -0.253848
  C      -7.231316      1.726677      1.135461
  S      -7.519794      3.035273      2.293402
  C      -6.898572      0.476317      1.663412
  C      -9.593404     -6.685505      4.857697
  C      -8.370796     -6.684652      3.939779
  C      -7.268803     -5.738431      4.458664
  C      -7.771208     -4.288260      4.438069
  N      -7.491878     -3.606782      5.692044
  C      -7.535735     -2.228242      5.768240
  C      -8.279953     -1.447543      4.857425
  C      -8.283106     -0.057930      4.982383
  C      -7.548135      0.591920      5.972452
  C      -6.792267     -0.178537      6.871612
  S      -5.819096      0.539808      8.164525
  C      -6.785150     -1.572322      6.769381
  C      -0.831844     -4.554802      7.873645
  C      -1.733148     -3.660301      7.012007
  C      -3.121467     -4.186891      6.567912
  C      -3.857222     -4.955872      7.671989
  N      -5.196019     -5.364878      7.225708
  C      -6.078027     -5.908347      8.185929
  C      -6.736154     -7.121080      7.938197
  C      -7.668513     -7.602618      8.856275
  C      -7.948050     -6.906102     10.030538
  C      -7.287063     -5.695421     10.284948
  S      -7.585266     -4.729261     11.736823
  C      -6.362095     -5.197779      9.360552
  H      -2.385451     -0.331769     -0.396320
  H      -3.192099     -0.123845      1.176708
  H      -4.146831     -0.521551     -0.262255
  H      -1.984850     -2.331232      1.007064
  H      -2.967021     -2.760733     -0.404589
  H      -4.122612     -2.053902      2.331957
  H      -5.426117     -2.736952     -0.227764
  H      -5.896177     -3.845079      1.076325
  H      -6.426216     -1.839229      2.411950
  H      -6.593441     -1.277265     -1.256107
  H      -7.135185      0.949338     -2.165634
  H      -7.564860      2.880661     -0.675056
  H      -7.803808      3.990716      1.380466
  H      -6.824934      0.340901      2.749208
  H     -10.327534     -7.425145      4.512602
  H     -10.099220     -5.713052      4.898838
  H      -9.303493     -6.950129      5.885168
  H      -8.651264     -6.408797      2.909757
  H      -7.999193     -7.715052      3.907201
  H      -7.126361     -6.020774      5.518527
  H      -8.855312     -4.284470      4.257393
  H      -7.319060     -3.763686      3.579754
  H      -6.753557     -4.038558      6.261714
  H      -8.870460     -1.922842      4.074626
  H      -8.874235      0.537396      4.283009
  H      -7.562595      1.677781      6.046188
  H      -6.047558      1.825680      7.826835
  H      -6.206824     -2.173372      7.476800
  H      -0.493189     -5.463057      7.356675
  H      -1.332414     -4.866154      8.800966
  H       0.070819     -3.992665      8.165623
  H      -1.936207     -2.739329      7.581846
  H      -1.194825     -3.329664      6.108546
  H      -3.728798     -3.300180      6.350099
  H      -3.273817     -5.834064      8.003417
  H      -3.950079     -4.289023      8.537172
  H      -5.108249     -5.981850      6.417350
  H      -6.501491     -7.691415      7.036553
  H      -8.175670     -8.546936      8.662316
  H      -8.669570     -7.298700     10.746042
  H      -8.502093     -5.559047     12.292054
  H      -5.879964     -4.236338      9.541404
  N      -5.047001     -3.108387      4.414818
  H      -5.355695     -2.227637      4.857248
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.698237033655
  N      -3.638046     -4.047129      2.109973
  C      -2.945506     -4.999512      1.241358
  C      -2.309947     -6.076980      2.100450
  N      -3.289009     -6.512696      3.121924
  C      -4.368039     -7.345314      2.545727
  C      -5.610639     -7.274371      3.411030
  N      -5.925562     -5.886273      3.786825
  Mo     -4.387814     -4.607044      3.841113
  N      -3.108222     -4.956078      5.296916
  C      -2.125897     -6.042106      5.218702
  C      -2.653062     -7.134269      4.303944
  H      -1.953684     -6.475107      6.215683
  H      -1.152691     -5.653138      4.869233
  H      -3.428261     -7.704215      4.834336
  H      -1.859741     -7.837600      3.999887
  H      -6.428903     -7.713206      2.821148
  H      -5.506255     -7.906236      4.316758
  H      -4.602467     -6.939318      1.552640
  H      -4.034904     -8.389477      2.415873
  H      -2.155018     -4.496281      0.666607
  H      -3.644047     -5.431311      0.499948
  H      -1.445587     -5.653158      2.630562
  H      -1.962390     -6.933010      1.497753
  C      -3.202820     -0.704597      0.252968
  C      -2.991534     -2.193403      0.533617
  C      -4.043048     -2.758233      1.490030
  C      -5.480661     -2.850619      0.865864
  N      -6.412774     -1.879753      1.400800
  C      -6.672569     -0.638449      0.825869
  C      -6.752438     -0.455997     -0.569984
  C      -7.067531      0.801739     -1.084196
  C      -7.326053      1.891781     -0.246456
  C      -7.249898      1.710334      1.143836
  S      -7.537621      3.020080      2.300864
  C      -6.910239      0.460534      1.668484
  C      -9.592282     -6.703816      4.829519
  C      -8.355535     -6.684778      3.922915
  C      -7.259807     -5.741744      4.462970
  C      -7.767863     -4.289438      4.458496
  N      -7.479007     -3.615078      5.714783
  C      -7.525482     -2.238450      5.790659
  C      -8.268777     -1.461419      4.877553
  C      -8.273442     -0.070168      4.998162
  C      -7.540484      0.584009      5.986934
  C      -6.788696     -0.184842      6.891312
  S      -5.818664      0.539129      8.181855
  C      -6.779063     -1.580140      6.792152
  C      -0.834478     -4.568946      7.855657
  C      -1.731792     -3.662927      7.012754
  C      -3.113213     -4.184412      6.567321
  C      -3.839948     -4.961671      7.673440
  N      -5.175935     -5.371850      7.229137
  C      -6.077274     -5.891931      8.182567
  C      -6.792414     -7.071918      7.909719
  C      -7.759257     -7.527730      8.811925
  C      -8.017816     -6.842006      9.997589
  C      -7.295330     -5.667940     10.279066
  S      -7.550467     -4.725515     11.752459
  C      -6.336328     -5.193012      9.371007
  H      -2.400293     -0.317356     -0.389051
  H      -3.199272     -0.123865      1.187958
  H      -4.158118     -0.509656     -0.251900
  H      -2.000181     -2.333724      0.989048
  H      -2.992690     -2.753108     -0.414105
  H      -4.126221     -2.051962      2.327338
  H      -5.432203     -2.744809     -0.222891
  H      -5.888554     -3.848763      1.074261
  H      -6.432611     -1.855522      2.421687
  H      -6.591003     -1.293413     -1.253213
  H      -7.121790      0.935081     -2.173916
  H      -7.577619      2.864641     -0.670176
  H      -7.839904      3.973713      1.398680
  H      -6.820528      0.327361      2.741559
  H     -10.317720     -7.446014      4.463593
  H     -10.102687     -5.730561      4.875418
  H      -9.320582     -6.981229      5.861563
  H      -8.621975     -6.394556      2.889411
  H      -7.980891     -7.719172      3.878937
  H      -7.118961     -6.035115      5.521911
  H      -8.855266     -4.284548      4.286032
  H      -7.319773     -3.752912      3.597108
  H      -6.740109     -4.042282      6.264534
  H      -8.855066     -1.939645      4.094671
  H      -8.862416      0.522955      4.296567
  H      -7.554801      1.672961      6.056082
  H      -6.043911      1.831244      7.835142
  H      -6.202074     -2.179544      7.500924
  H      -0.499523     -5.464823      7.319678
  H      -1.334025     -4.890873      8.783749
  H       0.065754     -4.022324      8.150303
  H      -1.940648     -2.752127      7.598340
  H      -1.194013     -3.321925      6.112040
  H      -3.725794     -3.300316      6.355254
  H      -3.247264     -5.839586      7.999425
  H      -3.934481     -4.298485      8.546125
  H      -5.087358     -6.003614      6.428411
  H      -6.579501     -7.636648      6.998370
  H      -8.315086     -8.445100      8.594567
  H      -8.769352     -7.214129     10.700422
  H      -8.454672     -5.556462     12.302526
  H      -5.808957     -4.259189      9.578136
  N      -5.034295     -3.113247      4.416049
  H      -5.338828     -2.234403      4.860638
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.698870605187
  N      -3.641141     -4.055795      2.104831
  C      -2.948498     -5.011633      1.240272
  C      -2.313694     -6.084597      2.104755
  N      -3.293921     -6.516320      3.126284
  C      -4.369823     -7.353784      2.552471
  C      -5.615174     -7.277880      3.411976
  N      -5.933736     -5.887183      3.776311
  Mo     -4.397980     -4.608209      3.834493
  N      -3.122318     -4.949603      5.295491
  C      -2.135778     -6.031996      5.222697
  C      -2.658259     -7.130403      4.312335
  H      -1.962369     -6.459787      6.221613
  H      -1.164127     -5.640976      4.871760
  H      -3.432549     -7.700138      4.844332
  H      -1.862394     -7.832981      4.012628
  H      -6.429165     -7.722058      2.821706
  H      -5.513937     -7.902958      4.322120
  H      -4.600997     -6.955433      1.555839
  H      -4.035365     -8.398205      2.431101
  H      -2.157395     -4.511127      0.664160
  H      -3.647158     -5.446524      0.500123
  H      -1.450885     -5.657638      2.634718
  H      -1.963976     -6.943060      1.506316
  C      -3.192982     -0.720529      0.234060
  C      -2.980353     -2.205528      0.523459
  C      -4.040708     -2.765675      1.479070
  C      -5.481099     -2.856312      0.850600
  N      -6.413662     -1.881927      1.382368
  C      -6.663793     -0.638295      0.805978
  C      -6.741548     -0.453454     -0.588813
  C      -7.057267      0.804731     -1.100542
  C      -7.312394      1.893518     -0.265267
  C      -7.239072      1.710078      1.124109
  S      -7.538774      3.016781      2.285823
  C      -6.903888      0.459141      1.649894
  C      -9.611283     -6.681448      4.792016
  C      -8.370049     -6.672494      3.897446
  C      -7.270514     -5.739649      4.446101
  C      -7.767864     -4.286143      4.446459
  N      -7.481070     -3.623035      5.709494
  C      -7.523143     -2.246241      5.805075
  C      -8.263022     -1.452678      4.902708
  C      -8.260949     -0.064366      5.044315
  C      -7.524810      0.571401      6.043178
  C      -6.776828     -0.213778      6.937327
  S      -5.803018      0.485842      8.240196
  C      -6.774956     -1.606355      6.818104
  C      -0.837680     -4.506925      7.861930
  C      -1.748815     -3.626953      7.000220
  C      -3.130283     -4.171376      6.561629
  C      -3.848926     -4.946471      7.673675
  N      -5.179998     -5.381692      7.236740
  C      -6.075540     -5.901445      8.194473
  C      -6.792530     -7.077053      7.918256
  C      -7.749837     -7.537818      8.821808
  C      -7.999063     -6.862000     10.013814
  C      -7.275385     -5.693822     10.299805
  S      -7.515398     -4.764019     11.784044
  C      -6.324299     -5.213918      9.390548
  H      -2.389461     -0.338367     -0.408539
  H      -3.192821     -0.134874      1.164985
  H      -4.148083     -0.528547     -0.272457
  H      -1.988942     -2.343297      0.985587
  H      -2.975089     -2.769280     -0.423778
  H      -4.124331     -2.056807      2.313599
  H      -5.430383     -2.748065     -0.240191
  H      -5.891079     -3.857241      1.060514
  H      -6.434001     -1.859584      2.401164
  H      -6.586253     -1.290142     -1.269252
  H      -7.121368      0.938159     -2.182447
  H      -7.567542      2.866286     -0.686013
  H      -7.835972      3.970315      1.377704
  H      -6.826322      0.323050      2.729959
  H     -10.339187     -7.417713      4.421142
  H     -10.116623     -5.707438      4.831966
  H      -9.345337     -6.958826      5.824576
  H      -8.629133     -6.381736      2.865527
  H      -8.003752     -7.705337      3.857721
  H      -7.137007     -6.039408      5.503585
  H      -8.853676     -4.274132      4.271433
  H      -7.315940     -3.750728      3.590396
  H      -6.741397     -4.058338      6.263736
  H      -8.851805     -1.915850      4.111412
  H      -8.846299      0.542214      4.349175
  H      -7.532232      1.658661      6.127466
  H      -6.019021      1.780977      7.911741
  H      -6.201068     -2.218861      7.519218
  H      -0.493532     -5.409245      7.343379
  H      -1.330708     -4.820672      8.792959
  H       0.058833     -3.937994      8.149971
  H      -1.960467     -2.707107      7.568215
  H      -1.216914     -3.295417      6.094377
  H      -3.750815     -3.293883      6.343480
  H      -3.246897     -5.811317      8.011135
  H      -3.949547     -4.273512      8.535448
  H      -5.085433     -6.017874      6.442881
  H      -6.584774     -7.636631      7.003732
  H      -8.303368     -8.451868      8.601140
  H      -8.740632     -7.238588     10.718871
  H      -8.462474     -5.569839     12.318113
  H      -5.793633     -4.286073      9.607446
  N      -5.049950     -3.108423      4.399118
  H      -5.355622     -2.228509      4.842616
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.698807872208
  N      -3.647597     -4.063246      2.098814
  C      -2.960681     -5.023492      1.236078
  C      -2.317679     -6.089430      2.104222
  N      -3.292329     -6.519283      3.132190
  C      -4.366113     -7.365979      2.566570
  C      -5.613028     -7.285775      3.423672
  N      -5.938077     -5.892591      3.773052
  Mo     -4.402071     -4.612087      3.830963
  N      -3.127891     -4.945569      5.295542
  C      -2.133054     -6.020452      5.225351
  C      -2.650594     -7.124924      4.319855
  H      -1.954160     -6.443554      6.225374
  H      -1.165150     -5.623571      4.870521
  H      -3.420777     -7.696683      4.855676
  H      -1.851887     -7.824503      4.021265
  H      -6.423233     -7.738827      2.836002
  H      -5.511277     -7.901230      4.339963
  H      -4.598782     -6.979427      1.565640
  H      -4.028013     -8.410448      2.456674
  H      -2.174815     -4.525729      0.650980
  H      -3.663711     -5.464313      0.504452
  H      -1.454043     -5.656236      2.628099
  H      -1.967521     -6.949633      1.508692
  C      -3.176923     -0.731949      0.226049
  C      -2.981408     -2.222029      0.515774
  C      -4.045121     -2.775087      1.470077
  C      -5.483054     -2.862838      0.838301
  N      -6.419181     -1.894494      1.375597
  C      -6.668136     -0.643169      0.820125
  C      -6.743077     -0.435924     -0.569699
  C      -7.061511      0.829130     -1.058942
  C      -7.318123      1.903537     -0.207852
  C      -7.250409      1.697297      1.178224
  S      -7.547547      2.984289      2.357177
  C      -6.919094      0.438674      1.685039
  C      -9.632161     -6.672382      4.743575
  C      -8.382324     -6.660514      3.858747
  C      -7.281595     -5.741350      4.428253
  C      -7.768272     -4.286448      4.430410
  N      -7.479188     -3.625653      5.691807
  C      -7.511311     -2.248017      5.783489
  C      -8.243204     -1.450459      4.879057
  C      -8.236483     -0.061262      5.021521
  C      -7.502997      0.571085      6.023257
  C      -6.757907     -0.216137      6.914849
  S      -5.785495      0.480307      8.218921
  C      -6.761405     -1.610054      6.795317
  C      -0.842287     -4.478250      7.849127
  C      -1.769485     -3.603305      6.996745
  C      -3.143376     -4.165256      6.559975
  C      -3.850983     -4.942376      7.676363
  N      -5.172617     -5.408633      7.246732
  C      -6.065659     -5.922605      8.210453
  C      -6.766204     -7.110787      7.954289
  C      -7.720351     -7.560032      8.863108
  C      -7.988272     -6.858162     10.041519
  C      -7.280808     -5.680313     10.308257
  S      -7.543185     -4.713329     11.775312
  C      -6.327470     -5.215418      9.394962
  H      -2.364651     -0.354432     -0.411027
  H      -3.175368     -0.149763      1.157854
  H      -4.128992     -0.527408     -0.287786
  H      -1.991357     -2.372304      0.978376
  H      -2.982853     -2.783773     -0.430287
  H      -4.127525     -2.063589      2.301456
  H      -5.429940     -2.747825     -0.250848
  H      -5.893606     -3.863500      1.039658
  H      -6.443410     -1.884634      2.396773
  H      -6.582737     -1.261246     -1.265243
  H      -7.122666      0.979943     -2.138071
  H      -7.571098      2.882471     -0.613642
  H      -7.832988      3.952375      1.456580
  H      -6.855635      0.283542      2.769309
  H     -10.354992     -7.405019      4.365634
  H     -10.142087     -5.700389      4.783873
  H      -9.374342     -6.953158      5.774820
  H      -8.631361     -6.354016      2.825706
  H      -8.020634     -7.697966      3.808657
  H      -7.157639     -6.049424      5.483488
  H      -8.850669     -4.267106      4.249044
  H      -7.310719     -3.754428      3.580951
  H      -6.742914     -4.071613      6.244792
  H      -8.832317     -1.912925      4.088794
  H      -8.820106      0.546228      4.329816
  H      -7.510978      1.656623      6.112174
  H      -6.000270      1.776204      7.895558
  H      -6.190665     -2.224499      7.495101
  H      -0.476387     -5.371343      7.321848
  H      -1.334111     -4.811464      8.774769
  H       0.042160     -3.895055      8.143880
  H      -1.996920     -2.689056      7.570311
  H      -1.242709     -3.257584      6.091576
  H      -3.773798     -3.295674      6.342298
  H      -3.234412     -5.791111      8.025506
  H      -3.962018     -4.260876      8.527251
  H      -5.070508     -6.051144      6.461557
  H      -6.543990     -7.690020      7.053132
  H      -8.258759     -8.482782      8.657345
  H      -8.730167     -7.221390     10.751220
  H      -8.510454     -5.493044     12.313849
  H      -5.809736     -4.278416      9.602401
  N      -5.049194     -3.108166      4.390165
  H      -5.348860     -2.222410      4.827059
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.699130989792
  N      -3.647135     -4.063712      2.089691
  C      -2.957907     -5.029169      1.233233
  C      -2.313882     -6.087134      2.109056
  N      -3.289865     -6.512971      3.136753
  C      -4.357127     -7.369018      2.574207
  C      -5.606191     -7.286641      3.426962
  N      -5.938246     -5.892234      3.762122
  Mo     -4.408901     -4.605052      3.820342
  N      -3.138310     -4.925971      5.290692
  C      -2.137071     -5.994804      5.227339
  C      -2.647863     -7.107965      4.329223
  H      -1.954878     -6.410425      6.229983
  H      -1.171818     -5.594183      4.869619
  H      -3.416252     -7.679834      4.867329
  H      -1.845453     -7.805832      4.036239
  H      -6.413054     -7.749163      2.842543
  H      -5.502891     -7.892920      4.349221
  H      -4.587209     -6.992934      1.568675
  H      -4.013909     -8.413329      2.475503
  H      -2.171257     -4.534122      0.645533
  H      -3.660603     -5.476986      0.503979
  H      -1.452859     -5.647903      2.632481
  H      -1.959391     -6.950494      1.519990
  C      -3.189839     -0.750731      0.190331
  C      -2.982183     -2.232805      0.491259
  C      -4.044837     -2.779689      1.451716
  C      -5.484923     -2.873666      0.822110
  N      -6.423089     -1.904606      1.356922
  C      -6.667084     -0.654004      0.794032
  C      -6.738644     -0.454149     -0.597748
  C      -7.056083      0.808445     -1.095511
  C      -7.314236      1.887755     -0.251592
  C      -7.248087      1.689344      1.135514
  S      -7.540749      2.983401      2.302367
  C      -6.917304      0.433018      1.650984
  C      -9.640717     -6.672508      4.709342
  C      -8.382595     -6.659601      3.836021
  C      -7.281587     -5.748106      4.421256
  C      -7.763707     -4.290744      4.448648
  N      -7.467875     -3.654539      5.722903
  C      -7.490129     -2.277897      5.845048
  C      -8.216945     -1.455757      4.958368
  C      -8.199906     -0.071682      5.133203
  C      -7.461422      0.531461      6.150207
  C      -6.721556     -0.280341      7.024449
  S      -5.744557      0.377107      8.347443
  C      -6.736201     -1.669110      6.873111
  C      -0.853661     -4.420885      7.838830
  C      -1.789083     -3.561460      6.979676
  C      -3.159381     -4.139605      6.549869
  C      -3.855652     -4.918353      7.673188
  N      -5.170703     -5.397494      7.246310
  C      -6.074737     -5.900295      8.203853
  C      -6.801304     -7.071076      7.926999
  C      -7.772676     -7.515576      8.821306
  C      -8.030217     -6.829653     10.009115
  C      -7.293209     -5.672972     10.299228
  S      -7.530111     -4.734352     11.785025
  C      -6.324896     -5.209621      9.398882
  H      -2.378362     -0.374795     -0.448973
  H      -3.196157     -0.159764      1.118575
  H      -4.142689     -0.559334     -0.324960
  H      -1.991137     -2.371878      0.953224
  H      -2.979218     -2.803611     -0.450770
  H      -4.127930     -2.062479      2.277965
  H      -5.433643     -2.761652     -0.269536
  H      -5.890747     -3.876946      1.030070
  H      -6.441759     -1.889375      2.373349
  H      -6.576719     -1.283213     -1.288226
  H      -7.114953      0.953610     -2.175826
  H      -7.565764      2.864878     -0.664723
  H      -7.830637      3.945058      1.394788
  H      -6.851089      0.284579      2.734102
  H     -10.358800     -7.405724      4.326377
  H     -10.151034     -5.703418      4.741602
  H      -9.394656     -6.950722      5.741271
  H      -8.620417     -6.345874      2.803211
  H      -8.026266     -7.697566      3.783093
  H      -7.160200     -6.072537      5.475246
  H      -8.849216     -4.262713      4.276237
  H      -7.308822     -3.746812      3.600082
  H      -6.730293     -4.112425      6.273247
  H      -8.810417     -1.894917      4.155989
  H      -8.779110      0.555344      4.453784
  H      -7.461208      1.612737      6.264332
  H      -5.945889      1.678691      8.051516
  H      -6.170715     -2.303652      7.560174
  H      -0.478449     -5.315949      7.319069
  H      -1.342455     -4.751301      8.765091
  H       0.024731     -3.825722      8.129997
  H      -2.022713     -2.643139      7.544242
  H      -1.266196     -3.220399      6.070894
  H      -3.799650     -3.276391      6.330292
  H      -3.229583     -5.758290      8.028104
  H      -3.971765     -4.230631      8.520697
  H      -5.062928     -6.050576      6.470236
  H      -6.588479     -7.640717      7.018549
  H      -8.332801     -8.423698      8.596267
  H      -8.785291     -7.190475     10.707989
  H      -8.514606     -5.505555     12.303424
  H      -5.782851     -4.291582      9.630873
  N      -5.063197     -3.096211      4.365034
  H      -5.365455     -2.211371      4.801884
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.698953444635
  N      -3.642977     -4.073373      2.083185
  C      -2.966884     -5.050141      1.229804
  C      -2.325785     -6.104283      2.110783
  N      -3.300018     -6.519210      3.144967
  C      -4.367660     -7.382223      2.593393
  C      -5.615656     -7.286224      3.446895
  N      -5.947737     -5.886848      3.760555
  Mo     -4.414510     -4.605558      3.814553
  N      -3.148013     -4.923749      5.289935
  C      -2.142997     -5.989025      5.229137
  C      -2.654623     -7.107617      4.339090
  H      -1.955300     -6.398527      6.233075
  H      -1.180774     -5.587264      4.864888
  H      -3.421533     -7.676867      4.882253
  H      -1.852934     -7.806816      4.047533
  H      -6.423662     -7.759015      2.871148
  H      -5.510630     -7.877851      4.378945
  H      -4.598096     -7.022033      1.582043
  H      -4.024858     -8.427635      2.511172
  H      -2.181243     -4.566603      0.632824
  H      -3.676674     -5.499084      0.509577
  H      -1.461852     -5.664988      2.628194
  H      -1.976770     -6.972376      1.526570
  C      -3.175065     -0.758079      0.175999
  C      -2.979089     -2.245555      0.470463
  C      -4.037740     -2.788889      1.438368
  C      -5.480445     -2.886197      0.813209
  N      -6.419984     -1.919989      1.350252
  C      -6.651973     -0.663289      0.792363
  C      -6.719320     -0.455260     -0.599284
  C      -7.027968      0.811268     -1.093957
  C      -7.288635      1.886148     -0.242154
  C      -7.226612      1.680276      1.145322
  S      -7.545379      2.966292      2.332778
  C      -6.894321      0.420485      1.651242
  C      -9.663368     -6.644519      4.665444
  C      -8.391328     -6.640598      3.820170
  C      -7.292789     -5.738584      4.415164
  C      -7.777605     -4.284264      4.446224
  N      -7.475892     -3.653046      5.720486
  C      -7.500247     -2.278658      5.849755
  C      -8.215172     -1.451606      4.955238
  C      -8.200419     -0.067082      5.133789
  C      -7.479188      0.530273      6.165107
  C      -6.755821     -0.289522      7.051270
  S      -5.800915      0.359037      8.392551
  C      -6.762883     -1.676395      6.891530
  C      -0.850860     -4.354847      7.833754
  C      -1.790730     -3.530408      6.949854
  C      -3.164405     -4.125657      6.540727
  C      -3.843005     -4.900611      7.682103
  N      -5.155000     -5.395002      7.267583
  C      -6.056469     -5.897211      8.226034
  C      -6.802983     -7.054050      7.926590
  C      -7.779582     -7.509413      8.807973
  C      -8.019536     -6.853178     10.008898
  C      -7.259043     -5.714908     10.324648
  S      -7.460263     -4.824533     11.832353
  C      -6.289331     -5.235292      9.435951
  H      -2.372509     -0.386018     -0.469590
  H      -3.163776     -0.168460      1.103407
  H      -4.128227     -0.558136     -0.325307
  H      -1.986748     -2.392309      0.924781
  H      -2.990500     -2.814704     -0.473575
  H      -4.113007     -2.065881      2.263550
  H      -5.437280     -2.775701     -0.279197
  H      -5.882488     -3.892001      1.023868
  H      -6.435916     -1.909751      2.368063
  H      -6.565866     -1.281261     -1.289275
  H      -7.086726      0.962380     -2.172351
  H      -7.543043      2.864983     -0.647757
  H      -7.829416      3.933032      1.427432
  H      -6.823171      0.266824      2.727775
  H     -10.386794     -7.370037      4.249205
  H     -10.159140     -5.660375      4.697145
  H      -9.439231     -6.942666      5.709050
  H      -8.608860     -6.331603      2.789174
  H      -8.043712     -7.674524      3.776924
  H      -7.171989     -6.062975      5.464482
  H      -8.867061     -4.258067      4.277414
  H      -7.322333     -3.733283      3.597205
  H      -6.737453     -4.110378      6.253444
  H      -8.792516     -1.886023      4.140690
  H      -8.765709      0.566379      4.443978
  H      -7.479041      1.614503      6.280766
  H      -6.003787      1.664335      8.101289
  H      -6.206951     -2.315542      7.584188
  H      -0.502047     -5.265603      7.342436
  H      -1.320598     -4.643812      8.781954
  H       0.038606     -3.757900      8.090358
  H      -2.012835     -2.596849      7.487003
  H      -1.277749     -3.220694      6.028128
  H      -3.815457     -3.270684      6.317384
  H      -3.200886     -5.729728      8.040983
  H      -3.960426     -4.204868      8.527385
  H      -5.043615     -6.057864      6.496402
  H      -6.605960     -7.603159      7.005929
  H      -8.357185     -8.405248      8.560869
  H      -8.777276     -7.224253     10.696622
  H      -8.476584     -5.582455     12.316873
  H      -5.728467     -4.335226      9.694349
  N      -5.062371     -3.095009      4.352386
  H      -5.360839     -2.209274      4.787084
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.699583375897
  N      -3.649906     -4.073807      2.074072
  C      -2.967262     -5.053192      1.227570
  C      -2.318696     -6.096581      2.116500
  N      -3.292552     -6.511459      3.151067
  C      -4.352312     -7.386141      2.602328
  C      -5.604636     -7.291720      3.448963
  N      -5.948043     -5.892662      3.749391
  Mo     -4.422450     -4.600783      3.804154
  N      -3.160872     -4.902189      5.286743
  C      -2.146271     -5.958723      5.234736
  C      -2.646450     -7.087287      4.351064
  H      -1.956194     -6.359967      6.241714
  H      -1.187112     -5.550715      4.869258
  H      -3.410713     -7.658616      4.895801
  H      -1.838836     -7.782590      4.066275
  H      -6.406296     -7.774527      2.873746
  H      -5.499894     -7.874860      4.386088
  H      -4.580459     -7.036378      1.587008
  H      -4.002098     -8.430080      2.530593
  H      -2.184439     -4.568415      0.626910
  H      -3.674876     -5.513206      0.510724
  H      -1.458605     -5.646892      2.632268
  H      -1.962031     -6.966759      1.538937
  C      -3.173531     -0.780401      0.145191
  C      -2.978880     -2.263757      0.453896
  C      -4.045082     -2.797420      1.420600
  C      -5.484619     -2.898788      0.791805
  N      -6.432269     -1.940136      1.328303
  C      -6.667092     -0.679726      0.780893
  C      -6.728146     -0.459449     -0.609173
  C      -7.040145      0.810308     -1.093169
  C      -7.305815      1.876861     -0.234345
  C      -7.248275      1.658916      1.150905
  S      -7.569916      2.933804      2.345459
  C      -6.917721      0.395219      1.648805
  C      -9.675873     -6.658830      4.618097
  C      -8.396102     -6.641265      3.776871
  C      -7.297294     -5.751729      4.398875
  C      -7.768074     -4.291196      4.458291
  N      -7.459102     -3.687460      5.745836
  C      -7.463983     -2.315297      5.899404
  C      -8.169114     -1.462775      5.023355
  C      -8.129290     -0.081206      5.224530
  C      -7.389133      0.489187      6.258812
  C      -6.674788     -0.356255      7.126651
  S      -5.693304      0.258125      8.466763
  C      -6.711121     -1.741864      6.947367
  C      -0.867869     -4.300507      7.816518
  C      -1.825059     -3.484061      6.941125
  C      -3.188728     -4.098768      6.533622
  C      -3.859197     -4.875764      7.674329
  N      -5.158955     -5.397316      7.258461
  C      -6.068517     -5.890132      8.213338
  C      -6.811002     -7.049824      7.921510
  C      -7.800259     -7.486837      8.798405
  C      -8.060306     -6.806810      9.987296
  C      -7.305375     -5.665736     10.294679
  S      -7.534045     -4.741214     11.787505
  C      -6.319115     -5.207427      9.410948
  H      -2.363711     -0.415565     -0.497777
  H      -3.169596     -0.184524      1.067891
  H      -4.125154     -0.581702     -0.365352
  H      -1.987271     -2.408625      0.916282
  H      -2.982682     -2.839649     -0.486253
  H      -4.126300     -2.069865      2.238749
  H      -5.436047     -2.786710     -0.298022
  H      -5.884472     -3.903367      0.999611
  H      -6.457159     -1.936811      2.350495
  H      -6.568232     -1.278761     -1.306366
  H      -7.095431      0.970876     -2.169928
  H      -7.560269      2.858682     -0.633227
  H      -7.869050      3.904758      1.453370
  H      -6.854415      0.231513      2.726618
  H     -10.387371     -7.387261      4.204618
  H     -10.181763     -5.686194      4.646484
  H      -9.459842     -6.952019      5.656194
  H      -8.604017     -6.309989      2.745283
  H      -8.050551     -7.680736      3.715553
  H      -7.185465     -6.100935      5.446883
  H      -8.853202     -4.247927      4.291286
  H      -7.310565     -3.733704      3.619208
  H      -6.724146     -4.159015      6.273863
  H      -8.759438     -1.874738      4.205235
  H      -8.688306      0.571973      4.549438
  H      -7.366746      1.572784      6.390133
  H      -5.870301      1.573104      8.196258
  H      -6.160374     -2.400584      7.624344
  H      -0.499563     -5.203465      7.318327
  H      -1.332805     -4.605788      8.764176
  H       0.010948     -3.688900      8.074420
  H      -2.064036     -2.555295      7.482387
  H      -1.317735     -3.161416      6.019112
  H      -3.849163     -3.253210      6.308656
  H      -3.207657     -5.688994      8.045302
  H      -3.991090     -4.173041      8.508175
  H      -5.036722     -6.067689      6.499621
  H      -6.600069     -7.615228      7.011275
  H      -8.372404     -8.385173      8.558267
  H      -8.830230     -7.160736     10.672085
  H      -8.555323     -5.484022     12.273725
  H      -5.764188     -4.302701      9.664711
  N      -5.076200     -3.085236      4.326377
  H      -5.375284     -2.197092      4.756087
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.699626660117
  N      -3.653983     -4.082201      2.062924
  C      -2.976121     -5.069924      1.223043
  C      -2.320654     -6.101496      2.120615
  N      -3.289372     -6.508698      3.163104
  C      -4.343816     -7.399149      2.627847
  C      -5.598688     -7.296670      3.470967
  N      -5.953734     -5.893979      3.740983
  Mo     -4.431516     -4.598100      3.795326
  N      -3.172933     -4.882450      5.285331
  C      -2.144597     -5.925492      5.238692
  C      -2.635225     -7.067065      4.367181
  H      -1.944850     -6.314937      6.248551
  H      -1.192319     -5.508605      4.865098
  H      -3.392635     -7.640643      4.919098
  H      -1.822108     -7.757292      4.086351
  H      -6.394965     -7.797816      2.904181
  H      -5.492485     -7.859243      4.420611
  H      -4.572745     -7.069219      1.605796
  H      -3.986730     -8.441964      2.575437
  H      -2.197730     -4.591076      0.611833
  H      -3.687766     -5.538387      0.516835
  H      -1.460297     -5.643513      2.628364
  H      -1.963232     -6.976218      1.551206
  C      -3.183392     -0.804542      0.115077
  C      -2.981865     -2.281699      0.431747
  C      -4.045559     -2.807886      1.401408
  C      -5.484252     -2.909741      0.769907
  N      -6.434177     -1.957034      1.313233
  C      -6.662533     -0.689087      0.781663
  C      -6.711895     -0.452387     -0.606563
  C      -7.027667      0.821954     -1.073401
  C      -7.302870      1.878285     -0.202212
  C      -7.251087      1.644898      1.178271
  S      -7.547205      2.909317      2.369211
  C      -6.925746      0.375363      1.664377
  C      -9.696889     -6.629775      4.554377
  C      -8.409112     -6.616143      3.724168
  C      -7.310152     -5.750118      4.371675
  C      -7.770027     -4.291910      4.441647
  N      -7.460221     -3.698456      5.730675
  C      -7.452785     -2.326800      5.894255
  C      -8.146172     -1.459887      5.023731
  C      -8.107488     -0.083888      5.249992
  C      -7.377615      0.467976      6.301499
  C      -6.667221     -0.388268      7.156440
  S      -5.698630      0.201574      8.516901
  C      -6.705651     -1.769380      6.954987
  C      -0.882219     -4.266939      7.783664
  C      -1.860700     -3.447801      6.934451
  C      -3.211435     -4.080280      6.532190
  C      -3.860684     -4.867261      7.679788
  N      -5.146061     -5.427451      7.273508
  C      -6.053059     -5.910066      8.235454
  C      -6.804649     -7.064146      7.950147
  C      -7.797694     -7.485899      8.828914
  C      -8.054608     -6.794620     10.014353
  C      -7.290413     -5.660925     10.316317
  S      -7.514104     -4.721237     11.804964
  C      -6.296860     -5.219628      9.430755
  H      -2.364162     -0.437106     -0.521306
  H      -3.197549     -0.202602      1.039753
  H      -4.131284     -0.618717     -0.409353
  H      -1.992214     -2.418147      0.892934
  H      -2.982578     -2.865910     -0.503388
  H      -4.125518     -2.074469      2.214624
  H      -5.433136     -2.790724     -0.321596
  H      -5.881030     -3.917280      0.972196
  H      -6.453636     -1.962496      2.328291
  H      -6.533004     -1.263210     -1.320751
  H      -7.068019      0.996206     -2.152817
  H      -7.549797      2.865548     -0.593636
  H      -7.839082      3.890494      1.482098
  H      -6.872697      0.199173      2.743447
  H     -10.403496     -7.350886      4.135139
  H     -10.209577     -5.657443      4.582017
  H      -9.485302     -6.926117      5.590924
  H      -8.606319     -6.264098      2.694541
  H      -8.069273     -7.659413      3.648940
  H      -7.211648     -6.113128      5.412029
  H      -8.854975     -4.243534      4.270536
  H      -7.307195     -3.729792      3.611702
  H      -6.727639     -4.190599      6.266099
  H      -8.733205     -1.859167      4.196150
  H      -8.663775      0.576991      4.585558
  H      -7.361821      1.543426      6.457303
  H      -5.872031      1.517596      8.269904
  H      -6.162287     -2.438419      7.625650
  H      -0.479461     -5.151971      7.263276
  H      -1.346623     -4.607637      8.721580
  H      -0.023425     -3.640563      8.054167
  H      -2.124801     -2.532812      7.493103
  H      -1.361518     -3.099187      6.012475
  H      -3.887935     -3.246360      6.315289
  H      -3.187129     -5.660621      8.056379
  H      -4.008661     -4.161327      8.507399
  H      -5.012296     -6.106473      6.526028
  H      -6.598305     -7.636661      7.042454
  H      -8.374890     -8.379542      8.593578
  H      -8.829396     -7.135196     10.700360
  H      -8.557492     -5.433961     12.287911
  H      -5.734590     -4.320053      9.683883
  N      -5.079355     -3.074316      4.302746
  H      -5.372174     -2.181527      4.726683
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.700306456853
  N      -3.667927     -4.092443      2.046199
  C      -2.986773     -5.089487      1.219244
  C      -2.323576     -6.102740      2.131562
  N      -3.290518     -6.501528      3.179059
  C      -4.334046     -7.412019      2.656331
  C      -5.591406     -7.304888      3.493627
  N      -5.962810     -5.901151      3.729248
  Mo     -4.449604     -4.592337      3.779623
  N      -3.198802     -4.850456      5.280217
  C      -2.155512     -5.878727      5.246763
  C      -2.632385     -7.037563      4.391457
  H      -1.948141     -6.251575      6.261463
  H      -1.209884     -5.453627      4.865354
  H      -3.384684     -7.611181      4.950404
  H      -1.812381     -7.723531      4.120155
  H      -6.380756     -7.828970      2.937512
  H      -5.481411     -7.843576      4.457167
  H      -4.562184     -7.105114      1.626939
  H      -3.966332     -8.452191      2.626477
  H      -2.212140     -4.615384      0.599277
  H      -3.697656     -5.573655      0.522103
  H      -1.466616     -5.630293      2.632392
  H      -1.959449     -6.983824      1.575753
  C      -3.166724     -0.833414      0.070889
  C      -2.987595     -2.316052      0.398185
  C      -4.056029     -2.826806      1.371112
  C      -5.493371     -2.933317      0.738650
  N      -6.451166     -1.990391      1.287086
  C      -6.677398     -0.714009      0.775995
  C      -6.719693     -0.453762     -0.605960
  C      -7.031693      0.828033     -1.054965
  C      -7.310499      1.868586     -0.170628
  C      -7.272299      1.610911      1.208006
  S      -7.589113      2.852312      2.423370
  C      -6.949543      0.333425      1.674858
  C      -9.726818     -6.640701      4.462194
  C      -8.419988     -6.614600      3.663242
  C      -7.325048     -5.769493      4.351770
  C      -7.773691     -4.308689      4.462889
  N      -7.431306     -3.749096      5.758602
  C      -7.388364     -2.382042      5.949602
  C      -8.056137     -1.477554      5.095839
  C      -7.976952     -0.105586      5.347196
  C      -7.233695      0.403431      6.410420
  C      -6.548439     -0.491845      7.249207
  S      -5.564150      0.041267      8.621960
  C      -6.624668     -1.867308      7.020090
  C      -0.914699     -4.122005      7.770103
  C      -1.915260     -3.352260      6.902215
  C      -3.251476     -4.032572      6.515774
  C      -3.874470     -4.824797      7.674765
  N      -5.142357     -5.423775      7.273887
  C      -6.062058     -5.894081      8.228715
  C      -6.819174     -7.044355      7.936684
  C      -7.833907     -7.451060      8.798419
  C      -8.107251     -6.748584      9.975072
  C      -7.336370     -5.620946     10.284395
  S      -7.574419     -4.670546     11.765156
  C      -6.321021     -5.194048      9.415182
  H      -2.345177     -0.480317     -0.567125
  H      -3.167569     -0.227867      0.988124
  H      -4.112912     -0.631828     -0.453369
  H      -1.998093     -2.465781      0.860443
  H      -2.998882     -2.903866     -0.531878
  H      -4.135741     -2.084644      2.175098
  H      -5.440978     -2.810706     -0.350394
  H      -5.885342     -3.942332      0.937684
  H      -6.475005     -2.008643      2.304094
  H      -6.540923     -1.251986     -1.328697
  H      -7.067256      1.020792     -2.129953
  H      -7.556389      2.861674     -0.547556
  H      -7.886693      3.845462      1.552992
  H      -6.908816      0.137177      2.752893
  H     -10.425463     -7.358854      4.014739
  H     -10.232690     -5.669031      4.487374
  H      -9.546499     -6.950489      5.500412
  H      -8.587848     -6.239335      2.637797
  H      -8.090628     -7.658422      3.572110
  H      -7.239734     -6.164215      5.386115
  H      -8.862621     -4.243869      4.315500
  H      -7.321216     -3.733233      3.630891
  H      -6.703902     -4.262582      6.270841
  H      -8.653635     -1.843108      4.260070
  H      -8.513884      0.585894      4.695151
  H      -7.188747      1.475188      6.587947
  H      -5.705825      1.366429      8.405357
  H      -6.098775     -2.566303      7.676047
  H      -0.498523     -5.011943      7.272512
  H      -1.363325     -4.447095      8.717082
  H      -0.068301     -3.466434      8.020890
  H      -2.196843     -2.429366      7.437473
  H      -1.428932     -3.014552      5.973049
  H      -3.953888     -3.220324      6.292193
  H      -3.178538     -5.593427      8.061520
  H      -4.041225     -4.111714      8.492951
  H      -4.993907     -6.118969      6.544091
  H      -6.602914     -7.623173      7.034394
  H      -8.416247     -8.341006      8.556536
  H      -8.900401     -7.076089     10.647642
  H      -8.641048     -5.359275     12.224685
  H      -5.756001     -4.297888      9.676452
  N      -5.103329     -3.060415      4.258288
  H      -5.394992     -2.161598      4.670473
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.700762257035
  N      -3.674618     -4.106658      2.033061
  C      -3.000744     -5.117475      1.217354
  C      -2.336789     -6.118306      2.141593
  N      -3.300257     -6.500680      3.199042
  C      -4.341964     -7.425839      2.696760
  C      -5.597979     -7.300582      3.534394
  N      -5.976998     -5.893231      3.729507
  Mo     -4.462469     -4.586943      3.769220
  N      -3.218085     -4.828898      5.278418
  C      -2.163145     -5.845549      5.251651
  C      -2.634782     -7.018707      4.415010
  H      -1.944784     -6.202442      6.269419
  H      -1.224942     -5.415690      4.857620
  H      -3.381834     -7.589006      4.984344
  H      -1.812600     -7.703561      4.148516
  H      -6.386174     -7.845814      2.996820
  H      -5.484715     -7.808972      4.513610
  H      -4.573096     -7.144222      1.660678
  H      -3.970905     -8.464613      2.691088
  H      -2.229693     -4.654834      0.585695
  H      -3.715539     -5.610385      0.531985
  H      -1.477949     -5.639117      2.631316
  H      -1.975909     -7.007369      1.597994
  C      -3.149217     -0.881576      0.010081
  C      -2.974774     -2.356202      0.364507
  C      -4.052481     -2.847010      1.341973
  C      -5.488313     -2.954877      0.707820
  N      -6.452153     -2.023815      1.262507
  C      -6.662392     -0.734074      0.775868
  C      -6.688067     -0.441471     -0.601029
  C      -6.989371      0.851060     -1.027204
  C      -7.277572      1.870865     -0.121537
  C      -7.254704      1.582265      1.252816
  S      -7.617906      2.792857      2.509409
  C      -6.934468      0.294282      1.691598
  C      -9.754110     -6.629955      4.381434
  C      -8.430796     -6.581884      3.604842
  C      -7.344870     -5.761020      4.336790
  C      -7.787633     -4.301123      4.480243
  N      -7.439143     -3.764909      5.786548
  C      -7.392460     -2.405631      5.997483
  C      -8.045875     -1.489061      5.146263
  C      -7.950320     -0.118085      5.402868
  C      -7.204622      0.379511      6.469038
  C      -6.541294     -0.531803      7.311182
  S      -5.550413     -0.014953      8.683638
  C      -6.634322     -1.906427      7.077121
  C      -0.909904     -4.016379      7.730263
  C      -1.945927     -3.288605      6.862789
  C      -3.274171     -4.002506      6.506870
  C      -3.867757     -4.798454      7.678113
  N      -5.123374     -5.424838      7.284883
  C      -6.048077     -5.890311      8.236396
  C      -6.805791     -7.039885      7.934191
  C      -7.829271     -7.449887      8.782421
  C      -8.109985     -6.751576      9.955959
  C      -7.339174     -5.624536     10.275861
  S      -7.582749     -4.683851     11.753143
  C      -6.315638     -5.192513      9.419763
  H      -2.324262     -0.544788     -0.630304
  H      -3.153160     -0.258204      0.915338
  H      -4.091622     -0.687074     -0.520427
  H      -1.986796     -2.498550      0.837338
  H      -2.979375     -2.961057     -0.558537
  H      -4.127989     -2.092584      2.136083
  H      -5.435667     -2.825073     -0.379646
  H      -5.878619     -3.964944      0.899948
  H      -6.488054     -2.066623      2.287086
  H      -6.516574     -1.224195     -1.331877
  H      -7.023479      1.066545     -2.092358
  H      -7.527882      2.870404     -0.474564
  H      -7.917990      3.801815      1.661601
  H      -6.899581      0.074741      2.760514
  H     -10.438746     -7.347055      3.909154
  H     -10.265317     -5.661148      4.410665
  H      -9.595509     -6.955484      5.419703
  H      -8.576398     -6.176065      2.586840
  H      -8.101699     -7.625406      3.486793
  H      -7.273796     -6.183678      5.362464
  H      -8.873224     -4.231555      4.335244
  H      -7.334112     -3.709623      3.663892
  H      -6.713618     -4.283498      6.282575
  H      -8.639219     -1.842840      4.304843
  H      -8.470766      0.585120      4.748719
  H      -7.138602      1.457183      6.644603
  H      -5.672811      1.319147      8.474879
  H      -6.118226     -2.613133      7.729932
  H      -0.504885     -4.910201      7.247239
  H      -1.321377     -4.317952      8.708501
  H      -0.059920     -3.345571      7.933290
  H      -2.233099     -2.362845      7.384700
  H      -1.484519     -2.962313      5.914842
  H      -3.997536     -3.210978      6.288788
  H      -3.152107     -5.546555      8.064792
  H      -4.047713     -4.084133      8.494953
  H      -4.967561     -6.133263      6.566682
  H      -6.586041     -7.611949      7.029885
  H      -8.412899     -8.339428      8.531655
  H      -8.909353     -7.082988     10.616159
  H      -8.681647     -5.348066     12.175790
  H      -5.750058     -4.298310      9.688264
  N      -5.109370     -3.049261      4.224036
  H      -5.395252     -2.143353      4.621152
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.701598141080
  N      -3.690497     -4.123531      2.014885
  C      -3.017963     -5.144746      1.211751
  C      -2.347704     -6.128861      2.148694
  N      -3.305305     -6.497077      3.216258
  C      -4.341732     -7.439822      2.735101
  C      -5.595773     -7.303877      3.573609
  N      -5.988900     -5.895060      3.727282
  Mo     -4.480405     -4.582427      3.756370
  N      -3.239607     -4.799397      5.272322
  C      -2.168599     -5.799421      5.253085
  C      -2.629661     -6.990821      4.436886
  H      -1.937489     -6.137867      6.274422
  H      -1.239881     -5.361121      4.845928
  H      -3.368263     -7.560517      5.017947
  H      -1.801683     -7.670998      4.176203
  H      -6.379865     -7.874496      3.056180
  H      -5.475322     -7.780597      4.568310
  H      -4.577607     -7.181621      1.693877
  H      -3.962664     -8.475462      2.750540
  H      -2.251114     -4.689585      0.570421
  H      -3.734154     -5.649578      0.536696
  H      -1.488191     -5.639001      2.626710
  H      -1.986623     -7.025903      1.618533
  C      -3.137696     -0.914001     -0.031161
  C      -2.977779     -2.390304      0.333823
  C      -4.059571     -2.867966      1.312133
  C      -5.493628     -2.974658      0.673801
  N      -6.462278     -2.053385      1.236653
  C      -6.665498     -0.753233      0.775302
  C      -6.669524     -0.432044     -0.596505
  C      -6.965410      0.869125     -0.999425
  C      -7.267128      1.870218     -0.075587
  C      -7.259280      1.554124      1.291326
  S      -7.616424      2.742912      2.559188
  C      -6.948298      0.256722      1.708472
  C      -9.779380     -6.607543      4.302327
  C      -8.445666     -6.555099      3.550008
  C      -7.362984     -5.764623      4.318298
  C      -7.797656     -4.307318      4.493038
  N      -7.428046     -3.792711      5.801323
  C      -7.358824     -2.437090      6.027605
  C      -7.995534     -1.500285      5.185611
  C      -7.877522     -0.134040      5.457781
  C      -7.126498      0.339434      6.531489
  C      -6.482342     -0.592677      7.366156
  S      -5.489930     -0.110451      8.750276
  C      -6.598050     -1.962173      7.116811
  C      -0.948209     -3.895754      7.708318
  C      -2.004133     -3.208019      6.838865
  C      -3.310609     -3.967092      6.495663
  C      -3.871465     -4.779923      7.673821
  N      -5.110455     -5.445859      7.289281
  C      -6.036193     -5.906954      8.241053
  C      -6.791782     -7.057110      7.941145
  C      -7.824141     -7.457019      8.783569
  C      -8.116301     -6.746457      9.948248
  C      -7.348641     -5.618116     10.265247
  S      -7.609745     -4.659600     11.729532
  C      -6.314204     -5.197610      9.415350
  H      -2.310044     -0.587027     -0.670654
  H      -3.137011     -0.284540      0.868169
  H      -4.075866     -0.713934     -0.565212
  H      -1.992297     -2.537637      0.809203
  H      -2.987141     -3.000945     -0.584176
  H      -4.133248     -2.106159      2.099428
  H      -5.436871     -2.836328     -0.411268
  H      -5.881783     -3.986911      0.857527
  H      -6.504000     -2.115651      2.258925
  H      -6.480204     -1.199375     -1.345607
  H      -6.976642      1.108240     -2.065031
  H      -7.507088      2.878000     -0.413486
  H      -7.910467      3.768337      1.729291
  H      -6.924719      0.015863      2.771641
  H     -10.461539     -7.313400      3.806039
  H     -10.285414     -5.634883      4.338703
  H      -9.636067     -6.951311      5.339429
  H      -8.572297     -6.124833      2.542113
  H      -8.125416     -7.595696      3.412249
  H      -7.308201     -6.214524      5.333037
  H      -8.885959     -4.232209      4.364335
  H      -7.353114     -3.703700      3.678939
  H      -6.708190     -4.327630      6.286111
  H      -8.595123     -1.834592      4.339782
  H      -8.385146      0.584899      4.810562
  H      -7.044318      1.412979      6.720312
  H      -5.590756      1.228002      8.558841
  H      -6.100314     -2.685271      7.767132
  H      -0.518638     -4.785041      7.234627
  H      -1.348856     -4.196177      8.685396
  H      -0.119462     -3.197778      7.903046
  H      -2.316398     -2.284779      7.351864
  H      -1.556159     -2.879007      5.889445
  H      -4.063981     -3.200113      6.279929
  H      -3.130752     -5.504836      8.058804
  H      -4.070480     -4.070241      8.489000
  H      -4.942083     -6.162399      6.584548
  H      -6.565430     -7.634002      7.041068
  H      -8.406198     -8.346777      8.535745
  H      -8.924215     -7.069739     10.603112
  H      -8.718087     -5.307966     12.140962
  H      -5.751526     -4.301161      9.679351
  N      -5.124616     -3.032699      4.182175
  H      -5.405549     -2.118739      4.564986
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.702472575358
  N      -3.703201     -4.136520      1.998886
  C      -3.033907     -5.169758      1.209327
  C      -2.360811     -6.137798      2.159312
  N      -3.313898     -6.487695      3.236452
  C      -4.346635     -7.445584      2.777560
  C      -5.594595     -7.298182      3.621347
  N      -6.001411     -5.889925      3.736946
  Mo     -4.500259     -4.570085      3.745744
  N      -3.261886     -4.762030      5.267454
  C      -2.175499     -5.745921      5.253488
  C      -2.626138     -6.955736      4.460230
  H      -1.930557     -6.064664      6.277608
  H      -1.256907     -5.300432      4.831617
  H      -3.353987     -7.524997      5.054678
  H      -1.791989     -7.629923      4.204320
  H      -6.377095     -7.892588      3.130558
  H      -5.462493     -7.741254      4.628922
  H      -4.590013     -7.206595      1.733104
  H      -3.960124     -8.478674      2.809428
  H      -2.269035     -4.723814      0.558751
  H      -3.751968     -5.684680      0.543512
  H      -1.499526     -5.639671      2.625748
  H      -2.001794     -7.044273      1.643977
  C      -3.119015     -0.950108     -0.086375
  C      -2.981718     -2.429248      0.294992
  C      -4.062080     -2.887722      1.280047
  C      -5.496460     -2.995758      0.643427
  N      -6.467750     -2.084844      1.219169
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  C      -6.643302     -0.425482     -0.577396
  C      -6.928937      0.885013     -0.956681
  C      -7.233460      1.870655     -0.021010
  C      -7.248602      1.527349      1.338742
  S      -7.600957      2.696770      2.615732
  C      -6.955098      0.218924      1.736406
  C      -9.792320     -6.611753      4.245429
  C      -8.451375     -6.532260      3.508022
  C      -7.380439     -5.768063      4.312373
  C      -7.818486     -4.319379      4.515075
  N      -7.422217     -3.810263      5.814256
  C      -7.331698     -2.453980      6.046162
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  C      -6.434012     -0.631753      7.402159
  S      -5.445620     -0.180516      8.799456
  C      -6.568437     -1.995339      7.141633
  C      -0.976469     -3.794197      7.659738
  C      -2.067661     -3.130415      6.818089
  C      -3.346711     -3.931333      6.490712
  C      -3.868174     -4.767711      7.673511
  N      -5.095055     -5.464608      7.293412
  C      -6.025341     -5.925375      8.242703
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  C      -7.831855     -7.460492      8.769795
  C      -8.127807     -6.748054      9.933038
  C      -7.354538     -5.624025     10.257239
  S      -7.628679     -4.658724     11.712372
  C      -6.307590     -5.212620      9.415424
  H      -2.284454     -0.636452     -0.727490
  H      -3.109822     -0.311352      0.807283
  H      -4.053391     -0.742631     -0.628224
  H      -1.998860     -2.584204      0.768251
  H      -3.004496     -3.048620     -0.613300
  H      -4.129903     -2.114732      2.057125
  H      -5.442415     -2.847732     -0.441783
  H      -5.876969     -4.012652      0.820305
  H      -6.508944     -2.166344      2.229846
  H      -6.442245     -1.179278     -1.340949
  H      -6.922160      1.145634     -2.017273
  H      -7.458462      2.887950     -0.344148
  H      -7.874424      3.740713      1.798666
  H      -6.961651     -0.045620      2.803270
  H     -10.463850     -7.313143      3.727746
  H     -10.307531     -5.640583      4.296976
  H      -9.653863     -6.976500      5.279974
  H      -8.568911     -6.068166      2.516347
  H      -8.125133     -7.564072      3.336459
  H      -7.340348     -6.243184      5.310888
  H      -8.912731     -4.252384      4.410012
  H      -7.393835     -3.702659      3.698224
  H      -6.703762     -4.362964      6.291911
  H      -8.567420     -1.818735      4.367548
  H      -8.322570      0.590939      4.858031
  H      -6.977524      1.379171      6.780478
  H      -5.538296      1.155417      8.628623
  H      -6.092079     -2.730490      7.795996
  H      -0.506981     -4.665116      7.171175
  H      -1.361091     -4.120765      8.634313
  H      -0.177124     -3.067646      7.851367
  H      -2.414925     -2.224994      7.346199
  H      -1.642604     -2.774312      5.865253
  H      -4.132391     -3.192381      6.287386
  H      -3.103548     -5.472576      8.047429
  H      -4.082983     -4.071656      8.494594
  H      -4.912901     -6.183162      6.593463
  H      -6.560599     -7.640956      7.030518
  H      -8.420808     -8.344888      8.518367
  H      -8.945362     -7.068850     10.581062
  H      -8.754847     -5.289347     12.106433
  H      -5.738389     -4.320024      9.677814
  N      -5.149333     -3.010756      4.136858
  H      -5.425386     -2.087223      4.496289
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.703405302103
  N      -3.711859     -4.149328      1.987020
  C      -3.047930     -5.194119      1.208833
  C      -2.373393     -6.149828      2.169288
  N      -3.322881     -6.483473      3.254569
  C      -4.353887     -7.452792      2.815156
  C      -5.596989     -7.293647      3.662277
  N      -6.014716     -5.885371      3.742383
  Mo     -4.517588     -4.562013      3.735800
  N      -3.286125     -4.733566      5.264441
  C      -2.186383     -5.703277      5.256958
  C      -2.626766     -6.929089      4.482476
  H      -1.930863     -6.004774      6.283476
  H      -1.276287     -5.251794      4.823523
  H      -3.346302     -7.497759      5.087476
  H      -1.786841     -7.598335      4.232480
  H      -6.378348     -7.909206      3.196014
  H      -5.453683     -7.705838      4.681423
  H      -4.603007     -7.231248      1.768289
  H      -3.963025     -8.483557      2.862327
  H      -2.285102     -4.758443      0.549730
  H      -3.769003     -5.715973      0.552006
  H      -1.509937     -5.646448      2.625675
  H      -2.017399     -7.064102      1.665835
  C      -3.117964     -0.991479     -0.132895
  C      -2.976098     -2.460781      0.267001
  C      -4.060695     -2.905807      1.254018
  C      -5.493151     -3.015818      0.611861
  N      -6.473792     -2.117796      1.191786
  C      -6.654510     -0.796230      0.785499
  C      -6.616160     -0.416285     -0.568596
  C      -6.890346      0.903965     -0.921598
  C      -7.208815      1.868303      0.035102
  C      -7.243687      1.493570      1.386168
  S      -7.596924      2.637451      2.680504
  C      -6.960534      0.175246      1.756378
  C      -9.813416     -6.598870      4.173593
  C      -8.464595     -6.499308      3.454768
  C      -7.400728     -5.766076      4.298621
  C      -7.832452     -4.321826      4.529951
  N      -7.413688     -3.829100      5.827238
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  C      -7.915738     -1.506291      5.242510
  C      -7.759446     -0.150620      5.536458
  C      -6.997618      0.283254      6.618176
  C      -6.381036     -0.677510      7.437667
  S      -5.386640     -0.252415      8.838762
  C      -6.537548     -2.035393      7.168801
  C      -1.017116     -3.674243      7.635630
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  C      -3.387481     -3.898471      6.483213
  C      -3.877539     -4.746616      7.671414
  N      -5.088596     -5.476554      7.297351
  C      -6.018953     -5.938675      8.244692
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  C      -8.122239     -6.759180      9.929051
  C      -7.352082     -5.634957     10.255068
  S      -7.632405     -4.666106     11.704631
  C      -6.303642     -5.226030      9.416945
  H      -2.282519     -0.686425     -0.776204
  H      -3.115542     -0.337539      0.752604
  H      -4.049235     -0.798037     -0.679051
  H      -1.995676     -2.604196      0.744946
  H      -2.992570     -3.093451     -0.634520
  H      -4.128984     -2.124386      2.023314
  H      -5.437079     -2.858348     -0.472159
  H      -5.869349     -4.035711      0.780436
  H      -6.531127     -2.223532      2.203455
  H      -6.402883     -1.152744     -1.348195
  H      -6.860945      1.190408     -1.978971
  H      -7.422467      2.894306     -0.267627
  H      -7.854316      3.701064      1.882666
  H      -6.973565     -0.111957      2.810757
  H     -10.475729     -7.294850      3.638804
  H     -10.334280     -5.632062      4.233359
  H      -9.683427     -6.976700      5.203470
  H      -8.570545     -6.000193      2.476630
  H      -8.137224     -7.526321      3.250015
  H      -7.378644     -6.269154      5.284454
  H      -8.927300     -4.252500      4.442509
  H      -7.421252     -3.696316      3.715219
  H      -6.698887     -4.396579      6.295107
  H      -8.533975     -1.809606      4.398304
  H      -8.251509      0.590122      4.904002
  H      -6.893141      1.343011      6.830025
  H      -5.459285      1.086144      8.677959
  H      -6.079733     -2.780914      7.823110
  H      -0.534279     -4.540217      7.157625
  H      -1.381492     -3.991953      8.619010
  H      -0.234154     -2.924470      7.806611
  H      -2.499120     -2.153702      7.314900
  H      -1.726536     -2.698077      5.835945
  H      -4.198423     -3.187188      6.279877
  H      -3.092697     -5.429778      8.041660
  H      -4.107199     -4.056806      8.492238
  H      -4.891503     -6.197440      6.605404
  H      -6.551165     -7.649551      7.028291
  H      -8.411667     -8.354900      8.514854
  H      -8.938471     -7.081657     10.575520
  H      -8.761928     -5.290254     12.092322
  H      -5.733821     -4.334257      9.677986
  N      -5.171895     -2.995568      4.094349
  H      -5.442662     -2.061479      4.430449
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.704511742121
  N      -3.716766     -4.155290      1.981452
  C      -3.062401     -5.211026      1.210119
  C      -2.390525     -6.162288      2.174999
  N      -3.336206     -6.479042      3.268247
  C      -4.373410     -7.450831      2.848760
  C      -5.605504     -7.278110      3.708731
  N      -6.027595     -5.867961      3.764581
  Mo     -4.532165     -4.548716      3.731670
  N      -3.305349     -4.710014      5.262909
  C      -2.195243     -5.669175      5.255271
  C      -2.630182     -6.907504      4.496634
  H      -1.927582     -5.957902      6.282150
  H      -1.293318     -5.213251      4.809556
  H      -3.340198     -7.476663      5.112198
  H      -1.785819     -7.571988      4.249058
  H      -6.393899     -7.908230      3.273519
  H      -5.441249     -7.664263      4.734715
  H      -4.633636     -7.237561      1.803169
  H      -3.984183     -8.481521      2.901686
  H      -2.300150     -4.786306      0.543414
  H      -3.789211     -5.733199      0.560369
  H      -1.521804     -5.660688      2.622494
  H      -2.043083     -7.083525      1.678624
  C      -3.090200     -1.034157     -0.181163
  C      -2.960781     -2.495793      0.241377
  C      -4.054237     -2.918342      1.232338
  C      -5.486630     -3.030447      0.588164
  N      -6.477838     -2.145605      1.171515
  C      -6.646731     -0.816204      0.780738
  C      -6.579553     -0.416582     -0.570313
  C      -6.837367      0.911223     -0.910528
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  C      -7.227230      1.471499      1.401996
  S      -7.599438      2.603305      2.707432
  C      -6.958642      0.145424      1.758318
  C      -9.824136     -6.579296      4.128066
  C      -8.473222     -6.449169      3.421772
  C      -7.418339     -5.747164      4.303721
  C      -7.852357     -4.307983      4.562749
  N      -7.418238     -3.825635      5.861136
  C      -7.304356     -2.474335      6.105462
  C      -7.910829     -1.502144      5.279194
  C      -7.735996     -0.146115      5.563671
  C      -6.961520      0.286407      6.638016
  C      -6.363472     -0.678824      7.467721
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  C      -1.049020     -3.578122      7.605451
  C      -2.195838     -2.994681      6.780610
  C      -3.425446     -3.878046      6.482532
  C      -3.885396     -4.739814      7.671376
  N      -5.083689     -5.493707      7.300934
  C      -6.007332     -5.972069      8.244982
  C      -6.761042     -7.114096      7.924247
  C      -7.797919     -7.518586      8.756827
  C      -8.098535     -6.820060      9.926203
  C      -7.336215     -5.694850     10.261789
  S      -7.623138     -4.739294     11.716214
  C      -6.292505     -5.275444      9.427141
  H      -2.254199     -0.750579     -0.832454
  H      -3.078209     -0.365205      0.691748
  H      -4.020543     -0.840395     -0.727571
  H      -1.981246     -2.640128      0.725422
  H      -2.979022     -3.140270     -0.653094
  H      -4.120525     -2.126395      1.989872
  H      -5.434065     -2.860705     -0.495382
  H      -5.855567     -4.055627      0.746524
  H      -6.553886     -2.270761      2.181844
  H      -6.358463     -1.144165     -1.354975
  H      -6.788084      1.212250     -1.963316
  H      -7.372433      2.896736     -0.232359
  H      -7.841561      3.678012      1.921231
  H      -6.985037     -0.154393      2.803284
  H     -10.478034     -7.269527      3.577463
  H     -10.355427     -5.619405      4.204763
  H      -9.691302     -6.972548      5.150741
  H      -8.578227     -5.911933      2.462730
  H      -8.135473     -7.464955      3.176122
  H      -7.412076     -6.278125      5.276522
  H      -8.947488     -4.247333      4.493696
  H      -7.460996     -3.670606      3.748927
  H      -6.703585     -4.394356      6.321239
  H      -8.536227     -1.802020      4.439345
  H      -8.220094      0.596999      4.927459
  H      -6.832449      1.351400      6.836624
  H      -5.410514      1.087302      8.693469
  H      -6.104682     -2.781398      7.874379
  H      -0.554333     -4.431312      7.124537
  H      -1.386229     -3.898221      8.600029
  H      -0.282246     -2.806658      7.756549
  H      -2.581251     -2.107132      7.307407
  H      -1.817445     -2.626620      5.815200
  H      -4.258706     -3.194496      6.280321
  H      -3.082772     -5.407251      8.030702
  H      -4.123057     -4.060543      8.498476
  H      -4.872045     -6.205155      6.605462
  H      -6.530325     -7.671453      7.013650
  H      -8.380388     -8.401940      8.499890
  H      -8.908369     -7.154701     10.572679
  H      -8.749384     -5.373131     12.102226
  H      -5.724295     -4.385004      9.693018
  N      -5.195841     -2.981123      4.060050
  H      -5.461304     -2.035679      4.364913
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.705490312941
  N      -3.721933     -4.163609      1.970596
  C      -3.078677     -5.233203      1.209056
  C      -2.404780     -6.174750      2.181934
  N      -3.345169     -6.473633      3.284161
  C      -4.385073     -7.451701      2.885465
  C      -5.609036     -7.266369      3.753460
  N      -6.038329     -5.856376      3.781503
  Mo     -4.547055     -4.536119      3.723466
  N      -3.327244     -4.681617      5.259205
  C      -2.205084     -5.626708      5.256258
  C      -2.631231     -6.879902      4.516005
  H      -1.925415     -5.899018      6.284555
  H      -1.312194     -5.165824      4.797861
  H      -3.332038     -7.448689      5.142425
  H      -1.781089     -7.539245      4.274348
  H      -6.401119     -7.911015      3.347117
  H      -5.426268     -7.626412      4.785441
  H      -4.653830     -7.251655      1.839639
  H      -3.995595     -8.481370      2.949608
  H      -2.318689     -4.822639      0.531706
  H      -3.812845     -5.759594      0.571073
  H      -1.531599     -5.671220      2.618479
  H      -2.063929     -7.103596      1.695079
  C      -3.083311     -1.066756     -0.217680
  C      -2.956089     -2.522531      0.212951
  C      -4.051835     -2.933700      1.207115
  C      -5.480918     -3.053211      0.557321
  N      -6.485361     -2.183756      1.141657
  C      -6.641546     -0.845553      0.774537
  C      -6.558021     -0.419309     -0.566423
  C      -6.801333      0.916511     -0.883722
  C      -7.132474      1.853257      0.096544
  C      -7.213110      1.432894      1.432911
  S      -7.607502      2.540947      2.759720
  C      -6.960536      0.097766      1.766610
  C      -9.838234     -6.577141      4.064881
  C      -8.477276     -6.407680      3.380083
  C      -7.434635     -5.737130      4.301581
  C      -7.861480     -4.302787      4.589533
  N      -7.402304     -3.837240      5.885662
  C      -7.270353     -2.489772      6.137214
  C      -7.861251     -1.504430      5.315809
  C      -7.660619     -0.152905      5.602975
  C      -6.874572      0.261404      6.675580
  C      -6.297449     -0.716485      7.504555
  S      -5.279632     -0.315360      8.897608
  C      -6.507253     -2.070074      7.246238
  C      -1.097365     -3.462992      7.574735
  C      -2.272592     -2.920334      6.762513
  C      -3.471364     -3.847363      6.474750
  C      -3.901241     -4.713142      7.669452
  N      -5.079272     -5.498081      7.305455
  C      -6.004026     -5.984930      8.243101
  C      -6.756443     -7.127095      7.913257
  C      -7.798577     -7.534618      8.738317
  C      -8.107844     -6.841064      9.909486
  C      -7.344516     -5.718939     10.256276
  S      -7.636432     -4.770195     11.715084
  C      -6.294309     -5.298094      9.430360
  H      -2.247509     -0.791315     -0.874192
  H      -3.068915     -0.388655      0.651887
  H      -4.013014     -0.878909     -0.763238
  H      -1.977735     -2.662778      0.697315
  H      -2.974957     -3.174516     -0.679297
  H      -4.119217     -2.133027      1.957421
  H      -5.428483     -2.871850     -0.524161
  H      -5.839385     -4.082267      0.705542
  H      -6.581018     -2.331137      2.150541
  H      -6.338300     -1.133159     -1.359299
  H      -6.743366      1.237077     -1.926102
  H      -7.326124      2.891813     -0.173077
  H      -7.837888      3.629985      1.991803
  H      -7.012802     -0.224695      2.808807
  H     -10.473839     -7.266239      3.493256
  H     -10.385463     -5.627254      4.155081
  H      -9.715543     -6.987676      5.081339
  H      -8.571877     -5.833351      2.442738
  H      -8.126688     -7.409328      3.094859
  H      -7.446446     -6.293712      5.260290
  H      -8.956420     -4.241778      4.543120
  H      -7.488448     -3.656763      3.775926
  H      -6.690093     -4.418558      6.337003
  H      -8.494946     -1.789928      4.477534
  H      -8.133780      0.600107      4.970670
  H      -6.722364      1.322783      6.875231
  H      -5.312925      1.028960      8.733832
  H      -6.091249     -2.822982      7.914496
  H      -0.583394     -4.301012      7.090367
  H      -1.411669     -3.789297      8.574675
  H      -0.353748     -2.667093      7.714036
  H      -2.682227     -2.047088      7.293977
  H      -1.919438     -2.540148      5.793019
  H      -4.326557     -3.194467      6.268191
  H      -3.080828     -5.356600      8.029211
  H      -4.149970     -4.034420      8.493583
  H      -4.848494     -6.205801      6.611809
  H      -6.521047     -7.680782      7.001727
  H      -8.382207     -8.416215      8.473209
  H      -8.923084     -7.177113     10.550598
  H      -8.756937     -5.413583     12.101278
  H      -5.723723     -4.411716      9.706419
  N      -5.220059     -2.964666      4.017331
  H      -5.480025     -2.006753      4.287997
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.706445865457
  N      -3.724500     -4.160351      1.970836
  C      -3.091378     -5.239504      1.213091
  C      -2.418718     -6.180005      2.187361
  N      -3.355917     -6.466330      3.294329
  C      -4.403972     -7.439918      2.906283
  C      -5.619563     -7.246951      3.783875
  N      -6.047239     -5.836246      3.807848
  Mo     -4.557186     -4.518853      3.726093
  N      -3.340486     -4.663948      5.261318
  C      -2.214036     -5.602460      5.258033
  C      -2.638189     -6.862299      4.527147
  H      -1.925387     -5.866793      6.285982
  H      -1.326527     -5.140521      4.790742
  H      -3.332766     -7.431671      5.159618
  H      -1.785005     -7.518682      4.288175
  H      -6.419725     -7.890782      3.395052
  H      -5.420736     -7.601355      4.812899
  H      -4.679943     -7.238039      1.862840
  H      -4.021138     -8.472333      2.968596
  H      -2.330613     -4.839531      0.529119
  H      -3.832799     -5.765106      0.581491
  H      -1.540576     -5.680472      2.618538
  H      -2.085992     -7.113142      1.702561
  C      -3.048134     -1.094539     -0.249822
  C      -2.946967     -2.549870      0.194726
  C      -4.048347     -2.938496      1.193532
  C      -5.475692     -3.063299      0.540395
  N      -6.490748     -2.203978      1.122404
  C      -6.639593     -0.862666      0.763774
  C      -6.549998     -0.430350     -0.572457
  C      -6.781192      0.908079     -0.884538
  C      -7.110433      1.842679      0.097335
  C      -7.206546      1.415794      1.430946
  S      -7.604329      2.522176      2.758425
  C      -6.962584      0.077581      1.758772
  C      -9.840810     -6.585028      4.015102
  C      -8.474049     -6.368918      3.351336
  C      -7.448347     -5.718107      4.308888
  C      -7.876025     -4.287774      4.613357
  N      -7.398379     -3.822913      5.902471
  C      -7.263646     -2.475378      6.156366
  C      -7.848598     -1.485106      5.335655
  C      -7.633685     -0.133946      5.619658
  C      -6.839239      0.273517      6.688757
  C      -6.274264     -0.708134      7.521349
  S      -5.254457     -0.313567      8.915331
  C      -6.500461     -2.060430      7.267189
  C      -1.117329     -3.408241      7.552502
  C      -2.324825     -2.882820      6.766549
  C      -3.503722     -3.836059      6.479197
  C      -3.917677     -4.705076      7.675120
  N      -5.086439     -5.501165      7.314451
  C      -6.004703     -6.002795      8.250569
  C      -6.756605     -7.145559      7.911292
  C      -7.787525     -7.572031      8.739004
  C      -8.088415     -6.898989      9.922594
  C      -7.325019     -5.778598     10.280743
  S      -7.600096     -4.856498     11.758790
  C      -6.286147     -5.339257      9.452273
  H      -2.209648     -0.842973     -0.915154
  H      -3.012648     -0.411560      0.611854
  H      -3.980081     -0.888799     -0.794050
  H      -1.968343     -2.706097      0.679471
  H      -2.978553     -3.205960     -0.691288
  H      -4.112910     -2.128941      1.931829
  H      -5.422199     -2.870695     -0.539206
  H      -5.823241     -4.096771      0.678932
  H      -6.601035     -2.360552      2.125241
  H      -6.330666     -1.141712     -1.366275
  H      -6.714972      1.232740     -1.923288
  H      -7.293637      2.884266     -0.167180
  H      -7.808480      3.617405      1.988054
  H      -7.024387     -0.248653      2.799221
  H     -10.457228     -7.276612      3.423742
  H     -10.403595     -5.649780      4.118650
  H      -9.725997     -7.010399      5.024035
  H      -8.563098     -5.757123      2.435585
  H      -8.103004     -7.353152      3.025860
  H      -7.477951     -6.290472      5.260018
  H      -8.972519     -4.235902      4.587525
  H      -7.524204     -3.635680      3.795241
  H      -6.684642     -4.407909      6.346983
  H      -8.487616     -1.765465      4.499406
  H      -8.102676      0.622812      4.987466
  H      -6.673948      1.332568      6.885249
  H      -5.286325      1.027177      8.753515
  H      -6.099239     -2.815770      7.943129
  H      -0.589757     -4.225220      7.046024
  H      -1.405645     -3.759279      8.557182
  H      -0.389918     -2.594223      7.690189
  H      -2.751068     -2.030875      7.319626
  H      -1.998219     -2.476019      5.794277
  H      -4.370355     -3.201005      6.271135
  H      -3.088660     -5.338269      8.032447
  H      -4.165653     -4.026270      8.500117
  H      -4.847161     -6.195020      6.607539
  H      -6.528285     -7.687545      6.992075
  H      -8.370134     -8.453677      8.465303
  H      -8.893382     -7.248812     10.566563
  H      -8.713353     -5.519390     12.155111
  H      -5.713599     -4.457208      9.740343
  N      -5.239616     -2.947633      3.999518
  H      -5.496431     -1.980547      4.235361
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7127.398703905060
  N      -3.737926     -4.164421      1.960038
  C      -3.115685     -5.253950      1.206620
  C      -2.434586     -6.187421      2.181979
  N      -3.359875     -6.461353      3.301147
  C      -4.411327     -7.440562      2.935195
  C      -5.617969     -7.238358      3.824826
  N      -6.051111     -5.829503      3.826344
  Mo     -4.568215     -4.507838      3.721957
  N      -3.348721     -4.644915      5.253919
  C      -2.212003     -5.569388      5.248594
  C      -2.630306     -6.839815      4.532485
  H      -1.908259     -5.820471      6.275606
  H      -1.334962     -5.102334      4.766516
  H      -3.313895     -7.410793      5.175235
  H      -1.772657     -7.490377      4.293454
  H      -6.422689     -7.892240      3.460856
  H      -5.401780     -7.573980      4.857394
  H      -4.698394     -7.249147      1.892346
  H      -4.027821     -8.472904      3.005097
  H      -2.359999     -4.864072      0.510189
  H      -3.865916     -5.783522      0.588589
  H      -1.550539     -5.686157      2.599438
  H      -2.109082     -7.125305      1.701253
  C      -3.033707     -1.118712     -0.275711
  C      -2.950455     -2.576009      0.172554
  C      -4.056381     -2.949772      1.171369
  C      -5.477947     -3.077696      0.509913
  N      -6.500953     -2.229293      1.092855
  C      -6.634520     -0.881283      0.753785
  C      -6.529419     -0.432304     -0.575784
  C      -6.741903      0.911749     -0.873930
  C      -7.067119      1.836732      0.115015
  C      -7.182808      1.393712      1.442486
  S      -7.589636      2.486673      2.780977
  C      -6.958318      0.048607      1.757293
  C      -9.839412     -6.570860      3.950773
  C      -8.468347     -6.327383      3.312363
  C      -7.458157     -5.711294      4.305643
  C      -7.886250     -4.288280      4.635641
  N      -7.397567     -3.834135      5.923747
  C      -7.259281     -2.488219      6.184440
  C      -7.832472     -1.492982      5.360318
  C      -7.609380     -0.143350      5.646935
  C      -6.817506      0.256418      6.721281
  C      -6.271034     -0.730173      7.561619
  S      -5.260716     -0.343201      8.965229
  C      -6.506264     -2.080432      7.305553
  C      -1.150827     -3.348707      7.525113
  C      -2.377661     -2.840747      6.762785
  C      -3.530747     -3.821459      6.471751
  C      -3.920696     -4.696599      7.672238
  N      -5.075945     -5.515093      7.322439
  C      -5.992114     -6.015907      8.258634
  C      -6.751411     -7.155306      7.918730
  C      -7.784871     -7.578670      8.748027
  C      -8.082694     -6.905430      9.934204
  C      -7.311655     -5.790077     10.293471
  S      -7.579324     -4.869037     11.779237
  C      -6.269297     -5.354227      9.462722
  H      -2.194174     -0.879485     -0.945093
  H      -2.984972     -0.435288      0.584365
  H      -3.965710     -0.899885     -0.817421
  H      -1.973355     -2.742838      0.658029
  H      -2.988957     -3.233991     -0.710652
  H      -4.120627     -2.133542      1.901465
  H      -5.415116     -2.872065     -0.565861
  H      -5.816103     -4.115120      0.634260
  H      -6.624157     -2.401640      2.088279
  H      -6.314521     -1.135249     -1.374877
  H      -6.666541      1.248124     -1.905543
  H      -7.236482      2.883361     -0.138118
  H      -7.781218      3.590446      2.022123
  H      -7.038152     -0.290785      2.796572
  H     -10.444536     -7.249795      3.333119
  H     -10.411572     -5.641822      4.075644
  H      -9.730127     -7.023946      4.950250
  H      -8.548382     -5.676650      2.423316
  H      -8.085912     -7.292785      2.949218
  H      -7.508634     -6.302690      5.243168
  H      -8.986231     -4.246236      4.625139
  H      -7.549207     -3.619847      3.820596
  H      -6.685748     -4.426053      6.367106
  H      -8.468275     -1.766963      4.518664
  H      -8.068465      0.617643      5.011351
  H      -6.642191      1.314062      6.916524
  H      -5.285066      0.997638      8.804385
  H      -6.120627     -2.839375      7.987794
  H      -0.606354     -4.141779      6.995176
  H      -1.420173     -3.726312      8.523939
  H      -0.445365     -2.520479      7.673547
  H      -2.824577     -2.012414      7.337260
  H      -2.072570     -2.407613      5.795352
  H      -4.412754     -3.207127      6.264833
  H      -3.076836     -5.312546      8.028674
  H      -4.173114     -4.016583      8.495942
  H      -4.830428     -6.206959      6.615300
  H      -6.529060     -7.698853      6.997840
  H      -8.371927     -8.457519      8.472603
  H      -8.892319     -7.248931     10.579006
  H      -8.673482     -5.549497     12.193177
  H      -5.692502     -4.476191      9.754939
  N      -5.246186     -2.931338      3.976046
  H      -5.498273     -1.959566      4.191009
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.707763315200
  N      -3.746826     -4.165760      1.950893
  C      -3.137591     -5.265036      1.198681
  C      -2.449992     -6.196608      2.171684
  N      -3.362768     -6.459436      3.302769
  C      -4.421067     -7.439025      2.956614
  C      -5.616420     -7.228577      3.861716
  N      -6.050514     -5.820508      3.849988
  Mo     -4.573759     -4.496724      3.720085
  N      -3.349136     -4.632356      5.246065
  C      -2.206177     -5.547140      5.236460
  C      -2.622289     -6.824882      4.531502
  H      -1.888466     -5.788504      6.261656
  H      -1.338001     -5.077328      4.740892
  H      -3.295802     -7.397671      5.183012
  H      -1.761537     -7.470839      4.290800
  H      -6.429015     -7.886742      3.521083
  H      -5.380834     -7.552665      4.894524
  H      -4.720441     -7.251467      1.916023
  H      -4.040281     -8.473112      3.028103
  H      -2.385811     -4.885438      0.490996
  H      -3.897852     -5.794807      0.592673
  H      -1.558496     -5.697750      2.576576
  H      -2.134486     -7.138284      1.691434
  C      -3.033310     -1.133256     -0.291261
  C      -2.956143     -2.591919      0.153161
  C      -4.062914     -2.958065      1.153391
  C      -5.478446     -3.090843      0.483959
  N      -6.509251     -2.252543      1.066106
  C      -6.627390     -0.899424      0.741720
  C      -6.510533     -0.440330     -0.583315
  C      -6.701149      0.908146     -0.873179
  C      -7.015232      1.828793      0.118927
  C      -7.148679      1.376127      1.442561
  S      -7.562138      2.462351      2.788821
  C      -6.947169      0.025134      1.750248
  C      -9.828216     -6.561009      3.896252
  C      -8.456140     -6.286149      3.281435
  C      -7.463354     -5.700827      4.306917
  C      -7.895804     -4.284970      4.656681
  N      -7.401158     -3.835537      5.943530
  C      -7.265472     -2.489456      6.208484
  C      -7.828844     -1.493109      5.377559
  C      -7.604609     -0.143488      5.665536
  C      -6.819860      0.253586      6.746799
  C      -6.290730     -0.733986      7.598452
  S      -5.296333     -0.347331      9.014280
  C      -6.528057     -2.083714      7.341715
  C      -1.175949     -3.316581      7.502742
  C      -2.417416     -2.815512      6.767015
  C      -3.548532     -3.815027      6.465310
  C      -3.922313     -4.694059      7.669097
  N      -5.069177     -5.526438      7.328813
  C      -5.981121     -6.028334      8.266043
  C      -6.747031     -7.165874      7.927772
  C      -7.779984     -7.588502      8.762339
  C      -8.072728     -6.915804      9.952523
  C      -7.294661     -5.804084     10.310690
  S      -7.552656     -4.884799     11.806633
  C      -6.251819     -5.369506      9.473882
  H      -2.198003     -0.899217     -0.968287
  H      -2.971612     -0.451233      0.569750
  H      -3.968495     -0.906696     -0.823961
  H      -1.978603     -2.764294      0.635507
  H      -3.000504     -3.250209     -0.728946
  H      -4.128228     -2.137004      1.878151
  H      -5.406552     -2.873192     -0.587676
  H      -5.804799     -4.132255      0.594789
  H      -6.645783     -2.437107      2.053758
  H      -6.305773     -1.138788     -1.384282
  H      -6.620681      1.250911     -1.898428
  H      -7.168769      2.879526     -0.126958
  H      -7.740318      3.571231      2.037614
  H      -7.045263     -0.322725      2.791117
  H     -10.421162     -7.228484      3.254184
  H     -10.413271     -5.640868      4.044513
  H      -9.719439     -7.041513      4.885363
  H      -8.532192     -5.597639      2.420969
  H      -8.057441     -7.228934      2.881050
  H      -7.534371     -6.306319      5.232911
  H      -8.999656     -4.257320      4.659217
  H      -7.574584     -3.601188      3.843528
  H      -6.690521     -4.431185      6.390588
  H      -8.457781     -1.764604      4.528917
  H      -8.055540      0.618535      5.023989
  H      -6.639295      1.310927      6.939309
  H      -5.319011      0.993291      8.850995
  H      -6.157492     -2.843465      8.033033
  H      -0.619844     -4.083792      6.943839
  H      -1.428357     -3.725352      8.491661
  H      -0.488467     -2.480903      7.669188
  H      -2.880441     -2.013949      7.368473
  H      -2.132130     -2.351845      5.808555
  H      -4.440505     -3.215699      6.257156
  H      -3.068291     -5.298932      8.025002
  H      -4.173983     -4.010786      8.491782
  H      -4.821198     -6.212254      6.615877
  H      -6.532491     -7.711618      7.004913
  H      -8.370629     -8.465817      8.486749
  H      -8.885154     -7.253714     10.601113
  H      -8.611604     -5.597392     12.249910
  H      -5.671466     -4.494568      9.769238
  N      -5.245863     -2.915846      3.958584
  H      -5.494053     -1.940777      4.152608
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.704850680647
  N      -3.735791     -4.178941      1.968591
  C      -3.124591     -5.282431      1.232847
  C      -2.455926     -6.207410      2.224090
  N      -3.388296     -6.459434      3.343011
  C      -4.441117     -7.440964      2.987018
  C      -5.645994     -7.216694      3.864286
  N      -6.077059     -5.808019      3.836631
  Mo     -4.585953     -4.495654      3.723524
  N      -3.387123     -4.615181      5.272465
  C      -2.246125     -5.537496      5.280114
  C      -2.661230     -6.821130      4.582787
  H      -1.941978     -5.772055      6.310300
  H      -1.371032     -5.075540      4.790734
  H      -3.345533     -7.383048      5.232947
  H      -1.802678     -7.474496      4.354615
  H      -6.448419     -7.878435      3.515379
  H      -5.435240     -7.524881      4.903302
  H      -4.724629     -7.265794      1.942397
  H      -4.061115     -8.470475      3.073788
  H      -2.368288     -4.910204      0.534645
  H      -3.875889     -5.811993      0.619126
  H      -1.570217     -5.707172      2.637517
  H      -2.136120     -7.154685      1.758599
  C      -2.984581     -1.137076     -0.275014
  C      -2.914397     -2.594251      0.173729
  C      -4.034065     -2.965148      1.165876
  C      -5.452831     -3.095024      0.487477
  N      -6.495886     -2.265089      1.062963
  C      -6.652260     -0.912796      0.747351
  C      -6.535444     -0.441174     -0.573744
  C      -6.771755      0.906001     -0.846997
  C      -7.135279      1.811610      0.161971
  C      -7.248117      1.346243      1.475243
  S      -7.645543      2.420797      2.813987
  C      -7.002517     -0.001219      1.764820
  C      -9.871964     -6.587756      3.872174
  C      -8.484850     -6.294465      3.264429
  C      -7.491054     -5.687908      4.289681
  C      -7.896738     -4.261720      4.633275
  N      -7.368880     -3.821837      5.911545
  C      -7.197380     -2.483040      6.182482
  C      -7.766327     -1.464169      5.391099
  C      -7.502091     -0.127248      5.686138
  C      -6.674830      0.240704      6.740592
  C      -6.131211     -0.767749      7.550501
  S      -5.074233     -0.426823      8.929132
  C      -6.410269     -2.105842      7.287247
  C      -1.177250     -3.224918      7.484097
  C      -2.453512     -2.764203      6.748414
  C      -3.583074     -3.782829      6.483047
  C      -3.957520     -4.656871      7.679972
  N      -5.097862     -5.493306      7.323638
  C      -6.007811     -6.013657      8.256284
  C      -6.745019     -7.156500      7.898396
  C      -7.760245     -7.611981      8.718675
  C      -8.059999     -6.967560      9.911148
  C      -7.308976     -5.846881     10.287453
  S      -7.582811     -4.959788     11.770696
  C      -6.287699     -5.376923      9.468061
  H      -2.151003     -0.901827     -0.947182
  H      -2.927089     -0.451163      0.583199
  H      -3.911567     -0.917098     -0.810475
  H      -1.942649     -2.764601      0.665596
  H      -2.955088     -3.250957     -0.714176
  H      -4.104741     -2.141235      1.890955
  H      -5.384584     -2.880412     -0.588070
  H      -5.795047     -4.132443      0.604412
  H      -6.645001     -2.457854      2.063776
  H      -6.276559     -1.130182     -1.393635
  H      -6.666260      1.265543     -1.884731
  H      -7.311477      2.863023     -0.073708
  H      -7.829784      3.540041      2.067001
  H      -7.070875     -0.353292      2.784105
  H     -10.445867     -7.279215      3.235669
  H     -10.459561     -5.674266      3.989924
  H      -9.790782     -7.046782      4.867783
  H      -8.555329     -5.629128      2.390163
  H      -8.083465     -7.246162      2.882244
  H      -7.564149     -6.300937      5.216433
  H      -8.983033     -4.200127      4.639540
  H      -7.569113     -3.611529      3.822271
  H      -6.666975     -4.425693      6.328679
  H      -8.432250     -1.711306      4.569611
  H      -7.958575      0.650627      5.073813
  H      -6.468622      1.290538      6.944920
  H      -5.061386      0.914053      8.782989
  H      -6.028927     -2.878430      7.950332
  H      -0.609067     -3.999465      6.951466
  H      -1.410141     -3.610932      8.496305
  H      -0.497115     -2.359082      7.603773
  H      -2.915338     -1.950683      7.329472
  H      -2.185288     -2.320539      5.769983
  H      -4.478484     -3.194481      6.274709
  H      -3.111104     -5.256715      8.034293
  H      -4.226575     -3.987640      8.500411
  H      -4.842919     -6.180154      6.620757
  H      -6.516211     -7.672852      6.969333
  H      -8.332562     -8.494368      8.431710
  H      -8.853679     -7.341711     10.546363
  H      -8.681504     -5.653084     12.165167
  H      -5.720908     -4.495900      9.764530
  N      -5.282712     -2.916849      3.934366
  H      -5.533506     -1.932262      4.112615
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.708732041445
  N      -3.748394     -4.171829      1.955988
  C      -3.150131     -5.279591      1.209971
  C      -2.464321     -6.209873      2.185993
  N      -3.374954     -6.465214      3.320671
  C      -4.433392     -7.445667      2.980425
  C      -5.627585     -7.223046      3.879167
  N      -6.051100     -5.816202      3.856370
  Mo     -4.575133     -4.489912      3.723462
  N      -3.354867     -4.625333      5.254000
  C      -2.215006     -5.544396      5.249416
  C      -2.634774     -6.825657      4.552313
  H      -1.896977     -5.778479      6.275548
  H      -1.346818     -5.082198      4.747118
  H      -3.310241     -7.392793      5.206692
  H      -1.775903     -7.475388      4.314471
  H      -6.441711     -7.879673      3.539107
  H      -5.402431     -7.539760      4.915860
  H      -4.731075     -7.265718      1.939084
  H      -4.055356     -8.478894      3.058968
  H      -2.402012     -4.909666      0.497652
  H      -3.914309     -5.808478      0.610447
  H      -1.569389     -5.712604      2.584654
  H      -2.153965     -7.154674      1.708627
  C      -3.014422     -1.132518     -0.274103
  C      -2.939234     -2.595482      0.159816
  C      -4.055575     -2.964738      1.150027
  C      -5.462427     -3.098639      0.457573
  N      -6.506905     -2.272833      1.031950
  C      -6.641446     -0.915773      0.730262
  C      -6.524512     -0.442157     -0.590084
  C      -6.735843      0.907269     -0.858613
  C      -7.070153      1.813947      0.151795
  C      -7.190385      1.347030      1.463776
  S      -7.582826      2.417591      2.811695
  C      -6.974309     -0.004827      1.752345
  C      -9.822951     -6.587183      3.840981
  C      -8.442171     -6.274067      3.248405
  C      -7.468743     -5.693573      4.293369
  C      -7.891485     -4.274206      4.649373
  N      -7.391999     -3.825841      5.934033
  C      -7.246061     -2.481872      6.204431
  C      -7.802800     -1.475800      5.384679
  C      -7.565912     -0.130259      5.679158
  C      -6.776610      0.256502      6.758187
  C      -6.251168     -0.739682      7.597596
  S      -5.250656     -0.369529      9.010600
  C      -6.500243     -2.087134      7.334576
  C      -1.163514     -3.294058      7.486101
  C      -2.422793     -2.797653      6.768774
  C      -3.555434     -3.802937      6.469112
  C      -3.936857     -4.681469      7.670406
  N      -5.092303     -5.501930      7.328063
  C      -6.002270     -6.000142      8.269249
  C      -6.771000     -7.128539      7.921123
  C      -7.791982     -7.566152      8.755858
  C      -8.066147     -6.914857      9.956539
  C      -7.286570     -5.808646     10.321091
  S      -7.527545     -4.919698     11.826473
  C      -6.258332     -5.353963      9.483533
  H      -2.184227     -0.891014     -0.951732
  H      -2.950487     -0.458885      0.594881
  H      -3.950461     -0.902743     -0.797728
  H      -1.965596     -2.771478      0.643748
  H      -2.981029     -3.248148     -0.727453
  H      -4.130010     -2.140653      1.871584
  H      -5.369568     -2.872410     -0.611050
  H      -5.791596     -4.142966      0.553086
  H      -6.662587     -2.474446      2.023741
  H      -6.295089     -1.131996     -1.412512
  H      -6.641669      1.265261     -1.891396
  H      -7.229719      2.867057     -0.080714
  H      -7.761936      3.535878      2.072728
  H      -7.060909     -0.360868      2.783639
  H     -10.394248     -7.252408      3.178646
  H     -10.422422     -5.679496      4.001657
  H      -9.728315     -7.092264      4.819068
  H      -8.512408     -5.571600      2.406789
  H      -8.026225     -7.200109      2.832435
  H      -7.559726     -6.306977      5.212642
  H      -8.988145     -4.239486      4.646431
  H      -7.564289     -3.598339      3.845398
  H      -6.694686     -4.427173      6.376737
  H      -8.438135     -1.736648      4.541057
  H      -8.012828      0.636872      5.046542
  H      -6.588680      1.311918      6.957018
  H      -5.257723      0.973744      8.855630
  H      -6.127687     -2.853595      8.014322
  H      -0.609625     -4.047675      6.911609
  H      -1.395036     -3.720375      8.473464
  H      -0.478618     -2.447369      7.653694
  H      -2.881608     -2.006716      7.383395
  H      -2.151587     -2.320430      5.813256
  H      -4.447635     -3.200955      6.263550
  H      -3.089497     -5.294026      8.023973
  H      -4.188651     -4.002215      8.494006
  H      -4.863484     -6.187625      6.612756
  H      -6.567608     -7.658125      6.988753
  H      -8.382617     -8.439200      8.471724
  H      -8.867460     -7.266259     10.603011
  H      -8.575655     -5.654875     12.269266
  H      -5.676194     -4.482858      9.782863
  N      -5.248477     -2.904608      3.943904
  H      -5.503913     -1.924909      4.122665
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.709300456249
  N      -3.757689     -4.169940      1.952998
  C      -3.160699     -5.283462      1.212149
  C      -2.471497     -6.206159      2.192447
  N      -3.379349     -6.456035      3.330242
  C      -4.432803     -7.445853      3.000406
  C      -5.628678     -7.217887      3.897179
  N      -6.059881     -5.813998      3.852772
  Mo     -4.589856     -4.482285      3.720115
  N      -3.372244     -4.607727      5.253595
  C      -2.223196     -5.514610      5.250092
  C      -2.634453     -6.803612      4.562481
  H      -1.897821     -5.738807      6.276181
  H      -1.361948     -5.047284      4.740551
  H      -3.304504     -7.371576      5.221629
  H      -1.771464     -7.448617      4.326777
  H      -6.439574     -7.884445      3.568192
  H      -5.401133     -7.518365      4.938632
  H      -4.730644     -7.279410      1.956440
  H      -4.049583     -8.476711      3.091253
  H      -2.413799     -4.918091      0.494504
  H      -3.927081     -5.817579      0.618847
  H      -1.576988     -5.704227      2.586273
  H      -2.159677     -7.153301      1.720609
  C      -3.020102     -1.145425     -0.291246
  C      -2.944067     -2.606268      0.146974
  C      -4.062279     -2.969180      1.138201
  C      -5.467531     -3.106837      0.443024
  N      -6.516282     -2.286680      1.017992
  C      -6.640978     -0.926731      0.720401
  C      -6.513607     -0.450783     -0.598734
  C      -6.712629      0.900770     -0.868867
  C      -7.045708      1.807724      0.139143
  C      -7.180331      1.338747      1.451817
  S      -7.580828      2.409233      2.800255
  C      -6.973112     -0.015736      1.740750
  C      -9.837222     -6.545174      3.764912
  C      -8.447484     -6.238900      3.201100
  C      -7.481784     -5.693002      4.273889
  C      -7.899282     -4.281164      4.654608
  N      -7.389780     -3.854944      5.941323
  C      -7.231727     -2.515210      6.223561
  C      -7.775586     -1.498440      5.406933
  C      -7.525569     -0.157089      5.711063
  C      -6.737009      0.213170      6.797176
  C      -6.227086     -0.794066      7.635120
  S      -5.231807     -0.443965      9.058270
  C      -6.487996     -2.136598      7.361709
  C      -1.197417     -3.246523      7.466910
  C      -2.463625     -2.763920      6.759386
  C      -3.581141     -3.784759      6.465953
  C      -3.940620     -4.664731      7.676418
  N      -5.078789     -5.514537      7.346423
  C      -5.984645     -6.011440      8.291213
  C      -6.756364     -7.139128      7.946282
  C      -7.777654     -7.572633      8.783429
  C      -8.051892     -6.916530      9.983585
  C      -7.268703     -5.813597     10.345734
  S      -7.508129     -4.918544     11.852349
  C      -6.236377     -5.365677      9.506766
  H      -2.190386     -0.906940     -0.969499
  H      -2.955718     -0.468519      0.573964
  H      -3.956235     -0.916783     -0.814679
  H      -1.970092     -2.780729      0.632122
  H      -2.986165     -3.263155     -0.736518
  H      -4.137460     -2.140189      1.854350
  H      -5.373430     -2.877311     -0.624530
  H      -5.789773     -4.153809      0.534735
  H      -6.670356     -2.490306      2.003824
  H      -6.288006     -1.140165     -1.417585
  H      -6.613349      1.259409     -1.898396
  H      -7.197992      2.862424     -0.094073
  H      -7.754130      3.528523      2.060873
  H      -7.067054     -0.373309      2.771862
  H     -10.403732     -7.198205      3.085133
  H     -10.432043     -5.634657      3.924404
  H      -9.760237     -7.059818      4.739084
  H      -8.498975     -5.513944      2.373806
  H      -8.036539     -7.160331      2.768299
  H      -7.586642     -6.326243      5.179889
  H      -8.999235     -4.244633      4.660816
  H      -7.575774     -3.591424      3.855871
  H      -6.693141     -4.465767      6.375245
  H      -8.410728     -1.747282      4.557419
  H      -7.960798      0.620070      5.079828
  H      -6.538907      1.263791      7.002629
  H      -5.229009      0.899823      8.915072
  H      -6.129020     -2.912920      8.040184
  H      -0.637694     -3.991068      6.884960
  H      -1.418658     -3.677707      8.453726
  H      -0.523351     -2.396150      7.633502
  H      -2.931964     -1.980966      7.378338
  H      -2.203327     -2.282711      5.802781
  H      -4.484642     -3.197673      6.263460
  H      -3.077145     -5.256249      8.033383
  H      -4.204220     -3.983006      8.495564
  H      -4.837288     -6.203121      6.637461
  H      -6.556398     -7.671136      7.013760
  H      -8.370282     -8.443702      8.500355
  H      -8.856198     -7.261466     10.631507
  H      -8.570174     -5.635664     12.290145
  H      -5.650396     -4.499221      9.809990
  N      -5.265591     -2.894697      3.931234
  H      -5.519533     -1.914572      4.108758
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.709720972442
  N      -3.753734     -4.170960      1.955060
  C      -3.165304     -5.286257      1.209263
  C      -2.476807     -6.214258      2.185099
  N      -3.383279     -6.464911      3.324345
  C      -4.439272     -7.451524      2.994322
  C      -5.636854     -7.218742      3.888159
  N      -6.060119     -5.811444      3.849686
  Mo     -4.584428     -4.486147      3.723163
  N      -3.362387     -4.621603      5.253764
  C      -2.217159     -5.533538      5.243519
  C      -2.636151     -6.818790      4.553256
  H      -1.889851     -5.762042      6.268009
  H      -1.355585     -5.068596      4.732398
  H      -3.307230     -7.385397      5.212727
  H      -1.776634     -7.466695      4.313210
  H      -6.449918     -7.878228      3.551916
  H      -5.415790     -7.526146      4.928353
  H      -4.735029     -7.285722      1.949558
  H      -4.059246     -8.483422      3.086515
  H      -2.419783     -4.922757      0.488242
  H      -3.937079     -5.815683      0.618686
  H      -1.579960     -5.716377      2.578613
  H      -2.168969     -7.160604      1.709441
  C      -3.019440     -1.142743     -0.286364
  C      -2.943989     -2.604299      0.148279
  C      -4.060107     -2.968008      1.142115
  C      -5.467762     -3.105883      0.452323
  N      -6.513582     -2.284202      1.030900
  C      -6.632322     -0.924219      0.728382
  C      -6.511645     -0.453246     -0.593619
  C      -6.698851      0.899237     -0.870257
  C      -7.017200      1.811417      0.134950
  C      -7.153059      1.346695      1.453472
  S      -7.548578      2.422996      2.803873
  C      -6.949690     -0.008127      1.745985
  C      -9.838946     -6.528335      3.707356
  C      -8.442919     -6.227021      3.164455
  C      -7.487308     -5.684548      4.251882
  C      -7.912336     -4.274126      4.622691
  N      -7.419682     -3.844348      5.913933
  C      -7.279838     -2.503627      6.202126
  C      -7.828024     -1.490101      5.383525
  C      -7.597291     -0.147475      5.695936
  C      -6.826939      0.226565      6.794239
  C      -6.314124     -0.778319      7.634104
  S      -5.344089     -0.424155      9.073629
  C      -6.553813     -2.121793      7.350669
  C      -1.171524     -3.279920      7.468562
  C      -2.428966     -2.785624      6.758059
  C      -3.557594     -3.796017      6.466580
  C      -3.920809     -4.670116      7.683203
  N      -5.064478     -5.518275      7.362024
  C      -5.960758     -6.011742      8.319132
  C      -6.740772     -7.137894      7.986803
  C      -7.749365     -7.568517      8.841158
  C      -8.005910     -6.908997     10.045310
  C      -7.213068     -5.809770     10.395570
  S      -7.431263     -4.909337     11.905048
  C      -6.189340     -5.368352      9.541746
  H      -2.191431     -0.903990     -0.967611
  H      -2.951397     -0.468210      0.581101
  H      -3.958043     -0.912111     -0.805553
  H      -1.969025     -2.780041      0.631180
  H      -2.988190     -3.259307     -0.738164
  H      -4.132568     -2.138980      1.859597
  H      -5.380738     -2.877576     -0.616526
  H      -5.788395     -4.153779      0.544296
  H      -6.660426     -2.483339      2.016305
  H      -6.304517     -1.146471     -1.406684
  H      -6.607576      1.252859     -1.899367
  H      -7.164756      2.866024     -0.102031
  H      -7.716462      3.541477      2.061187
  H      -7.036526     -0.361604      2.778064
  H     -10.398724     -7.181371      3.020444
  H     -10.432381     -5.617661      3.855512
  H      -9.776018     -7.037970      4.682149
  H      -8.484560     -5.498075      2.335476
  H      -8.029754     -7.150516      2.733235
  H      -7.601616     -6.317958      5.158524
  H      -9.013832     -4.241599      4.616142
  H      -7.581623     -3.584251      3.825929
  H      -6.717634     -4.449580      6.351693
  H      -8.451131     -1.743101      4.525478
  H      -8.033090      0.628220      5.061327
  H      -6.644351      1.277550      7.006672
  H      -5.359000      0.919770      8.938019
  H      -6.194614     -2.897871      8.030732
  H      -0.616602     -4.027407      6.885957
  H      -1.400559     -3.711540      8.449861
  H      -0.492181     -2.436922      7.642219
  H      -2.887226     -1.995696      7.374766
  H      -2.163118     -2.310542      5.801595
  H      -4.455761     -3.200339      6.264412
  H      -3.058347     -5.264517      8.040523
  H      -4.179442     -3.984497      8.501404
  H      -4.827911     -6.206174      6.648367
  H      -6.557749     -7.670760      7.050866
  H      -8.350707     -8.436141      8.566017
  H      -8.804516     -7.248272     10.706094
  H      -8.490032     -5.618247     12.357444
  H      -5.592093     -4.508296      9.841615
  N      -5.262418     -2.902926      3.946398
  H      -5.518505     -1.926247      4.131495
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.709711530230
  N      -3.692068     -4.158000      1.944302
  C      -3.089742     -5.263851      1.194789
  C      -2.412330     -6.202856      2.168793
  N      -3.336316     -6.469474      3.292333
  C      -4.390230     -7.447874      2.932899
  C      -5.600209     -7.222526      3.812713
  N      -6.010752     -5.809726      3.797010
  Mo     -4.530590     -4.487436      3.705541
  N      -3.319031     -4.644303      5.243441
  C      -2.185568     -5.572818      5.236261
  C      -2.608542     -6.845735      4.526548
  H      -1.870783     -5.814183      6.261781
  H      -1.313729     -5.113420      4.737462
  H      -3.293780     -7.413920      5.170048
  H      -1.751758     -7.498097      4.289273
  H      -6.413789     -7.868429      3.450529
  H      -5.397825     -7.552301      4.850272
  H      -4.670452     -7.266428      1.886154
  H      -4.014351     -8.482082      3.015415
  H      -2.339011     -4.890022      0.483859
  H      -3.853808     -5.790251      0.591811
  H      -1.521062     -5.709950      2.580851
  H      -2.097886     -7.142796      1.685133
  C      -3.030984     -1.075196     -0.246764
  C      -2.901878     -2.536945      0.175638
  C      -4.027460     -2.962532      1.132292
  C      -5.408451     -3.166291      0.403707
  N      -6.519122     -2.442372      0.994129
  C      -6.722647     -1.080670      0.750464
  C      -6.620607     -0.541381     -0.546682
  C      -6.889849      0.808171     -0.762923
  C      -7.271139      1.649942      0.279565
  C      -7.390895      1.115612      1.574471
  S      -7.865058      2.100140      2.972184
  C      -7.107335     -0.236568      1.805343
  C      -9.787006     -6.488073      3.536879
  C      -8.379050     -6.163706      3.039839
  C      -7.445362     -5.678439      4.170618
  C      -7.858558     -4.275971      4.580403
  N      -7.391535     -3.900881      5.897823
  C      -7.219710     -2.574204      6.229637
  C      -7.707999     -1.520935      5.423241
  C      -7.445836     -0.196052      5.781986
  C      -6.705898      0.122558      6.918895
  C      -6.251510     -0.922341      7.743865
  S      -5.323799     -0.640973      9.226674
  C      -6.519476     -2.248992      7.410644
  C      -1.086495     -3.416105      7.470211
  C      -2.310370     -2.854693      6.749197
  C      -3.490546     -3.802564      6.449592
  C      -3.923446     -4.643013      7.665772
  N      -5.137067     -5.388422      7.347059
  C      -6.068770     -5.808190      8.305877
  C      -6.947624     -6.858971      7.971787
  C      -7.981929     -7.207603      8.834161
  C      -8.167962     -6.539667     10.047943
  C      -7.280761     -5.513913     10.397265
  S      -7.407889     -4.609331     11.915120
  C      -6.231660     -5.154764      9.535099
  H      -2.196430     -0.791492     -0.903328
  H      -3.016340     -0.409446      0.629501
  H      -3.966839     -0.880605     -0.788551
  H      -1.934314     -2.674556      0.685825
  H      -2.890016     -3.182231     -0.719262
  H      -4.159405     -2.146265      1.855416
  H      -5.316861     -2.890717     -0.654169
  H      -5.656758     -4.238059      0.440604
  H      -6.666565     -2.693925      1.968526
  H      -6.368060     -1.180449     -1.386157
  H      -6.815311      1.213645     -1.770763
  H      -7.482519      2.702670      0.090418
  H      -8.089997      3.241968      2.282550
  H      -7.184157     -0.643579      2.818287
  H     -10.335394     -7.092188      2.800358
  H     -10.380259     -5.585806      3.728736
  H      -9.743986     -7.058200      4.477323
  H      -8.404598     -5.392240      2.248063
  H      -7.957005     -7.065380      2.570371
  H      -7.589990     -6.342952      5.048056
  H      -8.959927     -4.221323      4.546161
  H      -7.491172     -3.565430      3.815159
  H      -6.723429     -4.541364      6.340762
  H      -8.309596     -1.729508      4.538366
  H      -7.834994      0.610775      5.156298
  H      -6.500820      1.162077      7.170920
  H      -5.305655      0.707858      9.141127
  H      -6.205230     -3.055425      8.076304
  H      -0.566970     -4.191399      6.891236
  H      -1.346251     -3.837557      8.448288
  H      -0.364504     -2.610022      7.651809
  H      -2.728804     -2.038093      7.360359
  H      -2.011425     -2.396400      5.794504
  H      -4.350273     -3.157854      6.231754
  H      -3.113781     -5.304925      8.025532
  H      -4.128042     -3.937846      8.481988
  H      -4.970430     -6.086278      6.624664
  H      -6.820054     -7.396871      7.029045
  H      -8.659304     -8.018015      8.559023
  H      -8.985831     -6.816379     10.716084
  H      -8.511571     -5.236282     12.377907
  H      -5.559439     -4.350690      9.834601
  N      -5.213564     -2.910644      3.946283
  H      -5.476331     -1.938846      4.143034
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.711520358748
  N      -3.696427     -4.134854      1.988909
  C      -3.107946     -5.251370      1.245642
  C      -2.450947     -6.200138      2.223167
  N      -3.384164     -6.447175      3.344085
  C      -4.458466     -7.404753      2.985651
  C      -5.666378     -7.151730      3.862616
  N      -6.042799     -5.729461      3.838159
  Mo     -4.536108     -4.438441      3.752951
  N      -3.335104     -4.624534      5.296243
  C      -2.217351     -5.572309      5.288386
  C      -2.664069     -6.836585      4.578718
  H      -1.910511     -5.822780      6.314144
  H      -1.335757     -5.127310      4.793312
  H      -3.361051     -7.390451      5.221932
  H      -1.820148     -7.505883      4.342286
  H      -6.494718     -7.780909      3.500014
  H      -5.475355     -7.480999      4.904384
  H      -4.733381     -7.220016      1.938000
  H      -4.103463     -8.446003      3.071064
  H      -2.350752     -4.890603      0.535855
  H      -3.878369     -5.767282      0.641963
  H      -1.551587     -5.723555      2.636975
  H      -2.153050     -7.147160      1.742501
  C      -3.017537     -1.074790     -0.222115
  C      -2.881998     -2.529202      0.226678
  C      -4.027426     -2.953658      1.157121
  C      -5.382472     -3.190250      0.388646
  N      -6.524218     -2.478942      0.935449
  C      -6.752222     -1.127999      0.657386
  C      -6.625373     -0.622444     -0.650307
  C      -6.922264      0.712903     -0.906679
  C      -7.349349      1.574715      0.104726
  C      -7.484438      1.076480      1.405290
  S      -8.001583      2.096862      2.754770
  C      -7.185045     -0.263381      1.681881
  C      -9.821209     -6.349121      3.539425
  C      -8.401138     -6.030392      3.056998
  C      -7.478034     -5.561277      4.195158
  C      -7.857386     -4.141386      4.592869
  N      -7.386339     -3.752595      5.906375
  C      -7.179377     -2.424303      6.208521
  C      -7.639979     -1.377018      5.380157
  C      -7.354235     -0.050695      5.715656
  C      -6.616830      0.278406      6.851447
  C      -6.182008     -0.760299      7.693154
  S      -5.252119     -0.467925      9.172365
  C      -6.473169     -2.089233      7.382497
  C      -1.090272     -3.420302      7.514866
  C      -2.345733     -2.858259      6.839350
  C      -3.512844     -3.816383      6.524466
  C      -3.915465     -4.708886      7.707817
  N      -5.113243     -5.467579      7.373615
  C      -6.016046     -5.967351      8.319374
  C      -6.867094     -7.023874      7.937514
  C      -7.877133     -7.453107      8.792202
  C      -8.059767     -6.865239     10.044791
  C      -7.202843     -5.827684     10.437052
  S      -7.331671     -5.017986     12.002186
  C      -6.184718     -5.381427      9.580228
  H      -2.171946     -0.790244     -0.862465
  H      -3.030961     -0.396497      0.642630
  H      -3.942964     -0.898961     -0.788744
  H      -1.927227     -2.650126      0.764709
  H      -2.839463     -3.186344     -0.655936
  H      -4.190840     -2.130701      1.863611
  H      -5.259922     -2.921481     -0.667784
  H      -5.611523     -4.266942      0.420820
  H      -6.695579     -2.716574      1.915314
  H      -6.329687     -1.279019     -1.472063
  H      -6.826765      1.092602     -1.925754
  H      -7.576425      2.617084     -0.117048
  H      -8.226116      3.213180      2.025937
  H      -7.286032     -0.642590      2.705058
  H     -10.367155     -6.927837      2.785923
  H     -10.409198     -5.442650      3.747913
  H      -9.793284     -6.947652      4.466706
  H      -8.409622     -5.255993      2.275328
  H      -7.979493     -6.929385      2.588297
  H      -7.655949     -6.216291      5.067781
  H      -8.955060     -4.056630      4.550335
  H      -7.465941     -3.453106      3.818540
  H      -6.746642     -4.398060      6.374668
  H      -8.245972     -1.589825      4.500903
  H      -7.729844      0.749264      5.078218
  H      -6.400037      1.322564      7.091535
  H      -5.217974      0.881582      9.073096
  H      -6.173900     -2.886619      8.060972
  H      -0.563347     -4.159828      6.897291
  H      -1.318993     -3.888772      8.486161
  H      -0.380906     -2.601948      7.711339
  H      -2.772021     -2.073936      7.488580
  H      -2.073999     -2.354822      5.896265
  H      -4.386164     -3.180400      6.337385
  H      -3.090012     -5.367308      8.028818
  H      -4.125934     -4.041682      8.551957
  H      -4.951476     -6.122636      6.616251
  H      -6.735151     -7.502445      6.964213
  H      -8.530601     -8.271565      8.483855
  H      -8.851779     -7.212364     10.706971
  H      -8.397219     -5.722942     12.450157
  H      -5.538848     -4.565545      9.904988
  N      -5.182375     -2.844199      3.985387
  H      -5.426675     -1.864490      4.175236
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.711767584248
  N      -3.737847     -4.117966      1.994821
  C      -3.148056     -5.229384      1.245683
  C      -2.472821     -6.171470      2.216421
  N      -3.393572     -6.429737      3.343872
  C      -4.457982     -7.398007      2.988363
  C      -5.663414     -7.158189      3.870544
  N      -6.049660     -5.738669      3.859085
  Mo     -4.558561     -4.429620      3.768195
  N      -3.343820     -4.606617      5.302941
  C      -2.220276     -5.548493      5.285639
  C      -2.661929     -6.814304      4.573651
  H      -1.907564     -5.801138      6.308652
  H      -1.344113     -5.096102      4.788112
  H      -3.351391     -7.374303      5.219912
  H      -1.814270     -7.476595      4.330974
  H      -6.489792     -7.788219      3.505376
  H      -5.466184     -7.494226      4.908101
  H      -4.740058     -7.215384      1.942370
  H      -4.091459     -8.435380      3.070925
  H      -2.399451     -4.859732      0.530489
  H      -3.918770     -5.750692      0.647139
  H      -1.575791     -5.685755      2.624397
  H      -2.168130     -7.114306      1.732111
  C      -3.042814     -1.109000     -0.274269
  C      -2.932798     -2.559646      0.193698
  C      -4.067425     -2.939307      1.155492
  C      -5.443450     -3.147625      0.425333
  N      -6.538215     -2.370422      0.977445
  C      -6.707339     -1.025377      0.631123
  C      -6.602102     -0.611530     -0.710641
  C      -6.838729      0.717128     -1.049136
  C      -7.187503      1.662169     -0.086441
  C      -7.302604      1.257230      1.250394
  S      -7.736796      2.392064      2.539855
  C      -7.054386     -0.074434      1.609785
  C      -9.807159     -6.442638      3.540557
  C      -8.398790     -6.071362      3.067128
  C      -7.488859     -5.598576      4.215556
  C      -7.907368     -4.198647      4.636074
  N      -7.427568     -3.819683      5.948265
  C      -7.245417     -2.493174      6.271314
  C      -7.753381     -1.441669      5.477127
  C      -7.470233     -0.117356      5.818463
  C      -6.697654      0.205294      6.932244
  C      -6.222034     -0.838139      7.745429
  S      -5.241740     -0.554339      9.192921
  C      -6.504499     -2.165970      7.425593
  C      -1.104858     -3.377340      7.535062
  C      -2.361217     -2.830032      6.853522
  C      -3.520436     -3.797971      6.531780
  C      -3.922078     -4.691348      7.716222
  N      -5.118923     -5.451970      7.382825
  C      -6.005080     -5.970828      8.334543
  C      -6.850465     -7.032789      7.953419
  C      -7.837043     -7.488396      8.822612
  C      -8.004224     -6.919788     10.087351
  C      -7.153724     -5.876081     10.477970
  S      -7.265942     -5.088913     12.057915
  C      -6.156904     -5.405193      9.608097
  H      -2.206819     -0.855361     -0.941328
  H      -3.017474     -0.417743      0.581720
  H      -3.979116     -0.919124     -0.819685
  H      -1.970452     -2.698293      0.712853
  H      -2.925766     -3.230288     -0.681312
  H      -4.197014     -2.100580      1.850854
  H      -5.339952     -2.907151     -0.639927
  H      -5.708873     -4.214189      0.485845
  H      -6.683738     -2.550487      1.972378
  H      -6.374316     -1.334584     -1.492950
  H      -6.763621      1.023203     -2.093108
  H      -7.374035      2.697334     -0.370640
  H      -7.928644      3.464694      1.739902
  H      -7.129949     -0.376536      2.661294
  H     -10.341026     -7.010345      2.768081
  H     -10.417368     -5.560224      3.779474
  H      -9.759784     -7.068861      4.446463
  H      -8.433809     -5.278276      2.302495
  H      -7.947508     -6.945941      2.577531
  H      -7.650546     -6.271138      5.079399
  H      -9.007831     -4.146402      4.605911
  H      -7.545922     -3.487237      3.870641
  H      -6.758528     -4.455352      6.391389
  H      -8.389986     -1.650867      4.618965
  H      -7.876326      0.686567      5.205334
  H      -6.484970      1.247004      7.177834
  H      -5.229231      0.796648      9.111325
  H      -6.164478     -2.970757      8.077966
  H      -0.562819     -4.103670      6.916588
  H      -1.333960     -3.855350      8.497243
  H      -0.410390     -2.550398      7.745222
  H      -2.795766     -2.051557      7.502378
  H      -2.091482     -2.321838      5.914809
  H      -4.396872     -3.166612      6.339772
  H      -3.094869     -5.351231      8.033183
  H      -4.132257     -4.026285      8.563624
  H      -4.961521     -6.094412      6.609771
  H      -6.732035     -7.494882      6.970158
  H      -8.487240     -8.310061      8.514612
  H      -8.780077     -7.286147     10.760618
  H      -8.306878     -5.819272     12.517305
  H      -5.513579     -4.587385      9.934106
  N      -5.231478     -2.849865      4.009100
  H      -5.498520     -1.876862      4.201640
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.713211416632
  N      -3.698100     -4.122555      1.991237
  C      -3.109037     -5.246605      1.258867
  C      -2.458773     -6.190299      2.244598
  N      -3.397514     -6.428448      3.361969
  C      -4.473281     -7.382054      3.000886
  C      -5.685421     -7.115587      3.867311
  N      -6.045364     -5.688657      3.844314
  Mo     -4.532270     -4.406510      3.762447
  N      -3.334324     -4.594197      5.309438
  C      -2.226673     -5.554960      5.307595
  C      -2.684396     -6.817751      4.601024
  H      -1.926840     -5.805967      6.334854
  H      -1.339105     -5.120657      4.814544
  H      -3.389668     -7.360678      5.244835
  H      -1.846379     -7.496439      4.370500
  H      -6.519065     -7.731637      3.495602
  H      -5.506654     -7.449552      4.908567
  H      -4.740300     -7.203417      1.950314
  H      -4.124218     -8.424430      3.095827
  H      -2.347650     -4.890937      0.550409
  H      -3.877955     -5.764386      0.654498
  H      -1.560790     -5.713789      2.661239
  H      -2.160219     -7.140494      1.770834
  C      -3.033840     -1.100246     -0.274987
  C      -2.888862     -2.545707      0.198716
  C      -4.034331     -2.958245      1.134963
  C      -5.385009     -3.210864      0.374302
  N      -6.523110     -2.499013      0.926663
  C      -6.748161     -1.153226      0.615732
  C      -6.649155     -0.689027     -0.710239
  C      -6.942462      0.639336     -1.005790
  C      -7.344036      1.533212     -0.014912
  C      -7.454229      1.075732      1.306356
  S      -7.955570      2.139018      2.633009
  C      -7.147542     -0.254598      1.620791
  C      -9.804584     -6.312914      3.433850
  C      -8.383970     -5.952279      2.994246
  C      -7.488672     -5.518314      4.170607
  C      -7.884174     -4.115317      4.601539
  N      -7.419699     -3.762564      5.926221
  C      -7.208062     -2.445483      6.271034
  C      -7.669240     -1.368056      5.481853
  C      -7.351155     -0.057666      5.846396
  C      -6.586698      0.225212      6.976513
  C      -6.163590     -0.842660      7.787380
  S      -5.200895     -0.609289      9.255862
  C      -6.482760     -2.156266      7.445546
  C      -1.104311     -3.383498      7.551142
  C      -2.353783     -2.825491      6.867934
  C      -3.515617     -3.785189      6.537064
  C      -3.930807     -4.676101      7.719353
  N      -5.132448     -5.425797      7.379359
  C      -6.019168     -5.951415      8.326650
  C      -6.878629     -6.996891      7.931651
  C      -7.864212     -7.457301      8.799011
  C      -8.016986     -6.910265     10.075271
  C      -7.152883     -5.883445     10.479507
  S      -7.246312     -5.124911     12.075221
  C      -6.156763     -5.407612      9.611480
  H      -2.193511     -0.822485     -0.926340
  H      -3.046495     -0.406398      0.579090
  H      -3.964475     -0.940854     -0.838680
  H      -1.935148     -2.653850      0.740754
  H      -2.840617     -3.216472     -0.674871
  H      -4.206196     -2.121211      1.823869
  H      -5.274245     -2.941875     -0.683038
  H      -5.603119     -4.289171      0.404249
  H      -6.668443     -2.707249      1.914013
  H      -6.382086     -1.373129     -1.513456
  H      -6.871376      0.985296     -2.037436
  H      -7.575589      2.568503     -0.265193
  H      -8.175543      3.235575      1.873444
  H      -7.218399     -0.597615      2.658395
  H     -10.337998     -6.843166      2.633538
  H     -10.400880     -5.427743      3.694263
  H      -9.781161     -6.970214      4.318090
  H      -8.395007     -5.140750      2.246953
  H      -7.935187     -6.821789      2.492749
  H      -7.685229     -6.199109      5.022057
  H      -8.983238     -4.040504      4.553765
  H      -7.495186     -3.402676      3.850257
  H      -6.776720     -4.419826      6.377007
  H      -8.294590     -1.546093      4.607849
  H      -7.716018      0.767648      5.233063
  H      -6.340713      1.254518      7.235891
  H      -5.142213      0.740949      9.191742
  H      -6.180799     -2.980449      8.093659
  H      -0.560252     -4.105281      6.928531
  H      -1.341317     -3.870192      8.506618
  H      -0.409483     -2.561846      7.773472
  H      -2.787562     -2.048415      7.518960
  H      -2.077317     -2.313877      5.933019
  H      -4.387046     -3.148941      6.337667
  H      -3.110481     -5.344425      8.039223
  H      -4.139694     -4.010272      8.567035
  H      -4.982528     -6.057140      6.594894
  H      -6.772285     -7.440602      6.938743
  H      -8.525739     -8.265342      8.480557
  H      -8.792102     -7.280964     10.747231
  H      -8.287748     -5.856609     12.531110
  H      -5.501871     -4.603745      9.948589
  N      -5.186082     -2.816304      3.987243
  H      -5.444087     -1.838821      4.171658
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.713987940395
  N      -3.669230     -4.124714      1.992064
  C      -3.071018     -5.251391      1.271640
  C      -2.442414     -6.198463      2.268025
  N      -3.398441     -6.426668      3.374089
  C      -4.484012     -7.365001      3.002436
  C      -5.701855     -7.079932      3.856566
  N      -6.035383     -5.645950      3.834788
  Mo     -4.505182     -4.387965      3.763873
  N      -3.320493     -4.591608      5.319145
  C      -2.228182     -5.570366      5.325989
  C      -2.701248     -6.826938      4.619053
  H      -1.937950     -5.823719      6.355486
  H      -1.331447     -5.150585      4.837473
  H      -3.419068     -7.358268      5.258649
  H      -1.872309     -7.518774      4.394714
  H      -6.543131     -7.678632      3.473491
  H      -5.540334     -7.420062      4.898290
  H      -4.738076     -7.184139      1.949116
  H      -4.150588     -8.411961      3.102194
  H      -2.298149     -4.897583      0.574043
  H      -3.832214     -5.767165      0.655772
  H      -1.546247     -5.729431      2.696870
  H      -2.145069     -7.151827      1.799801
  C      -3.029699     -1.092488     -0.264896
  C      -2.853129     -2.531007      0.218794
  C      -4.012649     -2.973567      1.123678
  C      -5.330389     -3.268716      0.324082
  N      -6.513912     -2.630946      0.872717
  C      -6.793831     -1.284765      0.610971
  C      -6.677908     -0.750799     -0.686796
  C      -7.025603      0.576942     -0.924100
  C      -7.500083      1.399931      0.097517
  C      -7.626531      0.870425      1.389651
  S      -8.218746      1.833897      2.753711
  C      -7.264037     -0.457709      1.645444
  C      -9.788664     -6.202393      3.333610
  C      -8.356797     -5.847031      2.928660
  C      -7.480713     -5.446207      4.131693
  C      -7.853628     -4.038128      4.569553
  N      -7.400165     -3.695829      5.900548
  C      -7.162161     -2.384005      6.250935
  C      -7.579338     -1.293766      5.454417
  C      -7.237587      0.008098      5.829637
  C      -6.491207      0.269806      6.977033
  C      -6.114989     -0.809790      7.795653
  S      -5.183506     -0.603433      9.288524
  C      -6.459822     -2.114280      7.444073
  C      -1.084414     -3.432653      7.559277
  C      -2.325862     -2.845378      6.885639
  C      -3.500421     -3.783408      6.547041
  C      -3.937006     -4.670115      7.723651
  N      -5.153877     -5.390073      7.376036
  C      -6.043353     -5.919181      8.317947
  C      -6.932247     -6.932426      7.905402
  C      -7.917705     -7.392267      8.771960
  C      -8.041916     -6.876313     10.063599
  C      -7.149798     -5.880896     10.484400
  S      -7.208826     -5.161835     12.098854
  C      -6.153545     -5.405622      9.617434
  H      -2.183818     -0.792196     -0.897593
  H      -3.083479     -0.395376      0.584141
  H      -3.950545     -0.964164     -0.851249
  H      -1.912587     -2.610371      0.788416
  H      -2.760516     -3.202537     -0.650360
  H      -4.229770     -2.141225      1.805407
  H      -5.208388     -2.961373     -0.721580
  H      -5.498630     -4.356232      0.312444
  H      -6.665331     -2.876270      1.850413
  H      -6.351918     -1.379724     -1.514632
  H      -6.938687      0.979062     -1.934850
  H      -7.773936      2.435055     -0.107945
  H      -8.452825      2.965639      2.051550
  H      -7.348317     -0.857500      2.659876
  H     -10.319512     -6.689155      2.504314
  H     -10.372690     -5.318055      3.622753
  H      -9.788044     -6.896301      4.190013
  H      -8.345346     -5.020085      2.198566
  H      -7.904163     -6.709775      2.418822
  H      -7.711843     -6.132015      4.970859
  H      -8.950499     -3.944972      4.508298
  H      -7.443843     -3.328131      3.826728
  H      -6.782556     -4.365601      6.365868
  H      -8.190576     -1.454849      4.566719
  H      -7.566098      0.843551      5.208609
  H      -6.224062      1.292144      7.244053
  H      -5.091941      0.744987      9.231767
  H      -6.197660     -2.946535      8.098570
  H      -0.549332     -4.151383      6.924179
  H      -1.329185     -3.933263      8.507245
  H      -0.378473     -2.624673      7.794973
  H      -2.748167     -2.068789      7.545425
  H      -2.042073     -2.328117      5.954955
  H      -4.361123     -3.134100      6.343273
  H      -3.132585     -5.357845      8.042480
  H      -4.134491     -4.004034      8.573503
  H      -5.024483     -6.003644      6.575166
  H      -6.849242     -7.348414      6.898953
  H      -8.602708     -8.174684      8.440851
  H      -8.817209     -7.247130     10.734120
  H      -8.262267     -5.881603     12.548310
  H      -5.476564     -4.625191      9.965209
  N      -5.150490     -2.793165      3.981438
  H      -5.409421     -1.814950      4.161262
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.714775257044
  N      -3.668085     -4.122039      1.995527
  C      -3.067473     -5.251849      1.281502
  C      -2.448668     -6.199986      2.282555
  N      -3.410828     -6.421865      3.384310
  C      -4.501036     -7.352915      3.008873
  C      -5.719884     -7.058097      3.858193
  N      -6.040135     -5.621064      3.837573
  Mo     -4.502086     -4.373944      3.769533
  N      -3.321922     -4.585460      5.327388
  C      -2.237695     -5.573486      5.337410
  C      -2.720228     -6.827027      4.631585
  H      -1.951001     -5.827665      6.367640
  H      -1.336958     -5.161681      4.849665
  H      -3.444003     -7.351227      5.270347
  H      -1.896799     -7.526274      4.409821
  H      -6.565604     -7.647788      3.470775
  H      -5.565542     -7.400815      4.900091
  H      -4.749768     -7.171900      1.954344
  H      -4.175211     -8.401920      3.111478
  H      -2.288685     -4.900585      0.589688
  H      -3.825152     -5.766060      0.660111
  H      -1.552565     -5.734602      2.715494
  H      -2.153072     -7.155465      1.817493
  C      -3.004890     -1.095463     -0.261398
  C      -2.833878     -2.533117      0.226746
  C      -4.004539     -2.974084      1.118888
  C      -5.310832     -3.274367      0.303797
  N      -6.507437     -2.652766      0.844623
  C      -6.804424     -1.310442      0.577939
  C      -6.684394     -0.778886     -0.720445
  C      -7.057382      0.540240     -0.966989
  C      -7.564208      1.356195      0.045105
  C      -7.694637      0.829237      1.337167
  S      -8.335046      1.781772      2.685963
  C      -7.303239     -0.488578      1.603886
  C      -9.784857     -6.150640      3.269250
  C      -8.347460     -5.786132      2.892289
  C      -7.487949     -5.411505      4.115735
  C      -7.855155     -4.007883      4.571261
  N      -7.412423     -3.688204      5.911143
  C      -7.157519     -2.384543      6.278389
  C      -7.545331     -1.280175      5.487256
  C      -7.180148      0.011154      5.875213
  C      -6.442087      0.248769      7.033107
  C      -6.098935     -0.844151      7.848511
  S      -5.182346     -0.668001      9.354486
  C      -6.465538     -2.138644      7.482568
  C      -1.078606     -3.430255      7.556242
  C      -2.324577     -2.839936      6.892566
  C      -3.500305     -3.776396      6.555078
  C      -3.937412     -4.661965      7.731749
  N      -5.157535     -5.376635      7.386398
  C      -6.039373     -5.914811      8.329863
  C      -6.938556     -6.916758      7.912516
  C      -7.916141     -7.384173      8.783427
  C      -8.021913     -6.887258     10.083811
  C      -7.119884     -5.902726     10.508895
  S      -7.156488     -5.207728     12.133803
  C      -6.131554     -5.419730      9.637667
  H      -2.153771     -0.796716     -0.887519
  H      -3.065737     -0.396471      0.585387
  H      -3.920369     -0.968054     -0.855815
  H      -1.900294     -2.612217      0.807623
  H      -2.731573     -3.205948     -0.640067
  H      -4.232536     -2.139240      1.793879
  H      -5.181714     -2.955554     -0.737510
  H      -5.468161     -4.363189      0.278160
  H      -6.661763     -2.897525      1.822372
  H      -6.336329     -1.404194     -1.543010
  H      -6.966407      0.940240     -1.978772
  H      -7.860372      2.383530     -0.168411
  H      -8.570543      2.910213      1.978700
  H      -7.389159     -0.884329      2.619640
  H     -10.309048     -6.603750      2.417152
  H     -10.367739     -5.274533      3.585022
  H      -9.795840     -6.875850      4.099377
  H      -8.326228     -4.943680      2.181002
  H      -7.886015     -6.636908      2.370615
  H      -7.739299     -6.108249      4.939698
  H      -8.950528     -3.906935      4.500072
  H      -7.433687     -3.289761      3.843277
  H      -6.810908     -4.370964      6.377742
  H      -8.151969     -1.422171      4.593575
  H      -7.482003      0.857475      5.255854
  H      -6.156947      1.263422      7.311202
  H      -5.064531      0.678858      9.310928
  H      -6.228201     -2.981365      8.132774
  H      -0.543366     -4.140948      6.912389
  H      -1.318444     -3.941172      8.500661
  H      -0.373927     -2.622209      7.796911
  H      -2.744522     -2.067199      7.558500
  H      -2.045626     -2.317350      5.963040
  H      -4.360422     -3.126303      6.351314
  H      -3.135297     -5.353215      8.047984
  H      -4.130487     -3.995654      8.582227
  H      -5.037486     -5.979463      6.576296
  H      -6.869877     -7.316579      6.898703
  H      -8.609540     -8.157655      8.449005
  H      -8.790804     -7.264693     10.757447
  H      -8.208424     -5.929368     12.584942
  H      -5.446093     -4.647925      9.987903
  N      -5.142807     -2.776450      3.983077
  H      -5.403306     -1.797711      4.159996
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.715360642263
  N      -3.695428     -4.134874      1.983880
  C      -3.086272     -5.269818      1.284887
  C      -2.471205     -6.207194      2.297373
  N      -3.434178     -6.418870      3.398992
  C      -4.524815     -7.350489      3.029095
  C      -5.743384     -7.045590      3.875151
  N      -6.056259     -5.607491      3.851423
  Mo     -4.519053     -4.363410      3.766920
  N      -3.339095     -4.564828      5.326970
  C      -2.258837     -5.557107      5.347485
  C      -2.745717     -6.814931      4.650889
  H      -1.974929     -5.803769      6.380089
  H      -1.355848     -5.152735      4.858113
  H      -3.471759     -7.330947      5.293767
  H      -1.924704     -7.519254      4.436039
  H      -6.593430     -7.629148      3.488156
  H      -5.590909     -7.386073      4.917527
  H      -4.771563     -7.178957      1.972451
  H      -4.201956     -8.399431      3.142403
  H      -2.300908     -4.920738      0.599143
  H      -3.835817     -5.790404      0.659277
  H      -1.577154     -5.736844      2.729330
  H      -2.172077     -7.166503      1.842652
  C      -2.949138     -1.141195     -0.286092
  C      -2.813776     -2.579388      0.211282
  C      -4.006372     -2.990181      1.089572
  C      -5.301836     -3.266513      0.256094
  N      -6.501678     -2.651715      0.797753
  C      -6.780180     -1.299958      0.555340
  C      -6.627806     -0.740474     -0.727867
  C      -6.989541      0.584924     -0.955707
  C      -7.521130      1.379285      0.058612
  C      -7.686259      0.824403      1.336324
  S      -8.380514      1.740337      2.685797
  C      -7.297744     -0.497419      1.585954
  C      -9.788311     -6.160399      3.252206
  C      -8.355696     -5.772836      2.888274
  C      -7.506435     -5.399443      4.120566
  C      -7.887917     -4.003794      4.585019
  N      -7.424580     -3.685726      5.917531
  C      -7.172035     -2.382814      6.290821
  C      -7.597355     -1.273905      5.526018
  C      -7.218566      0.015429      5.906500
  C      -6.435521      0.245360      7.035774
  C      -6.060483     -0.851890      7.831468
  S      -5.085545     -0.683854      9.301119
  C      -6.437614     -2.144688      7.471375
  C      -1.114701     -3.365740      7.557792
  C      -2.364823     -2.794097      6.889782
  C      -3.527402     -3.746761      6.548424
  C      -3.962513     -4.625215      7.732624
  N      -5.169881     -5.360421      7.386638
  C      -6.031419     -5.923225      8.334067
  C      -6.919302     -6.936787      7.918282
  C      -7.873853     -7.433856      8.799503
  C      -7.969604     -6.953371     10.107798
  C      -7.079226     -5.957303     10.531222
  S      -7.105619     -5.281699     12.166855
  C      -6.111305     -5.446853      9.650748
  H      -2.086162     -0.863747     -0.907552
  H      -3.003038     -0.436193      0.557438
  H      -3.857363     -0.998288     -0.889307
  H      -1.890789     -2.675657      0.805503
  H      -2.714042     -3.259307     -0.650806
  H      -4.231153     -2.144272      1.751748
  H      -5.161909     -2.917667     -0.773774
  H      -5.462036     -4.352952      0.196749
  H      -6.666622     -2.911172      1.768602
  H      -6.266561     -1.348757     -1.554152
  H      -6.874298      1.005457     -1.955052
  H      -7.814126      2.409925     -0.141411
  H      -8.569002      2.893783      2.006116
  H      -7.402432     -0.912018      2.593730
  H     -10.312174     -6.584707      2.384416
  H     -10.374880     -5.299654      3.601546
  H      -9.792288     -6.914227      4.055468
  H      -8.344320     -4.921536      2.186192
  H      -7.876200     -6.609916      2.359893
  H      -7.759555     -6.101035      4.940354
  H      -8.986886     -3.923099      4.530236
  H      -7.491384     -3.273166      3.856562
  H      -6.802732     -4.364221      6.365680
  H      -8.244413     -1.411244      4.661040
  H      -7.542696      0.865101      5.302576
  H      -6.140739      1.257924      7.308834
  H      -4.972524      0.663421      9.260697
  H      -6.171093     -2.993616      8.103894
  H      -0.563258     -4.060324      6.911243
  H      -1.350986     -3.887508      8.493797
  H      -0.427145     -2.547769      7.811603
  H      -2.796919     -2.028238      7.554849
  H      -2.090590     -2.267982      5.962781
  H      -4.393265     -3.107602      6.331790
  H      -3.153290     -5.303957      8.061064
  H      -4.168389     -3.951262      8.575396
  H      -5.041477     -5.950397      6.565643
  H      -6.860538     -7.322113      6.897709
  H      -8.559565     -8.215219      8.465878
  H      -8.722594     -7.351939     10.789398
  H      -8.134969     -6.029071     12.624498
  H      -5.432393     -4.669076     10.001710
  N      -5.171755     -2.770093      3.966759
  H      -5.451964     -1.795480      4.132420
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.716168046118
  N      -3.693288     -4.147551      1.981658
  C      -3.084439     -5.288936      1.292959
  C      -2.480594     -6.224602      2.313728
  N      -3.448958     -6.422249      3.413610
  C      -4.548422     -7.344258      3.046543
  C      -5.765492     -7.021611      3.888654
  N      -6.060275     -5.579538      3.860131
  Mo     -4.511089     -4.353454      3.768520
  N      -3.333201     -4.560253      5.329425
  C      -2.264124     -5.564605      5.356227
  C      -2.765773     -6.820797      4.667714
  H      -1.982034     -5.807483      6.390293
  H      -1.356987     -5.173544      4.863901
  H      -3.497493     -7.325078      5.313387
  H      -1.953195     -7.535900      4.456306
  H      -6.621872     -7.595156      3.501030
  H      -5.620488     -7.360132      4.932685
  H      -4.791089     -7.176755      1.988375
  H      -4.236871     -8.395694      3.166959
  H      -2.293153     -4.946471      0.610978
  H      -3.831928     -5.809167      0.664733
  H      -1.584497     -5.758557      2.746131
  H      -2.186766     -7.188945      1.866121
  C      -2.915595     -1.151988     -0.273421
  C      -2.784644     -2.590546      0.223298
  C      -3.991825     -3.005269      1.080877
  C      -5.267106     -3.289255      0.220999
  N      -6.489967     -2.712514      0.754428
  C      -6.795801     -1.361605      0.541117
  C      -6.613072     -0.756600     -0.717204
  C      -7.005820      0.565185     -0.915182
  C      -7.599500      1.310645      0.103418
  C      -7.793627      0.710130      1.355359
  S      -8.567651      1.558013      2.703985
  C      -7.373237     -0.606959      1.576916
  C      -9.784823     -6.080012      3.180435
  C      -8.341247     -5.699844      2.852127
  C      -7.511432     -5.351770      4.106360
  C      -7.880457     -3.954870      4.578057
  N      -7.440476     -3.648549      5.921410
  C      -7.172630     -2.350282      6.300780
  C      -7.551320     -1.235755      5.520242
  C      -7.155343      0.046720      5.905970
  C      -6.402538      0.264544      7.057778
  C      -6.079442     -0.836476      7.870859
  S      -5.151929     -0.681874      9.372558
  C      -6.473042     -2.122555      7.504384
  C      -1.091310     -3.376642      7.535202
  C      -2.344258     -2.792106      6.881366
  C      -3.514877     -3.735840      6.546958
  C      -3.954757     -4.608824      7.731770
  N      -5.165271     -5.336915      7.382621
  C      -6.022454     -5.909733      8.326989
  C      -6.925498     -6.904661      7.900662
  C      -7.873736     -7.410294      8.782501
  C      -7.948535     -6.956302     10.100891
  C      -7.043518     -5.978404     10.533975
  S      -7.043472     -5.336532     12.181738
  C      -6.081296     -5.460202      9.653401
  H      -2.046318     -0.871978     -0.883595
  H      -2.981194     -0.448106      0.569396
  H      -3.815881     -1.010107     -0.887603
  H      -1.871411     -2.686561      0.832618
  H      -2.670668     -3.268833     -0.638042
  H      -4.233091     -2.159506      1.737660
  H      -5.116318     -2.913683     -0.798020
  H      -5.406276     -4.376869      0.132538
  H      -6.667593     -2.997422      1.716369
  H      -6.202059     -1.326341     -1.549783
  H      -6.863978      1.022331     -1.896170
  H      -7.916375      2.338441     -0.075064
  H      -8.741396      2.737254      2.064594
  H      -7.499353     -1.056550      2.565643
  H     -10.300086     -6.468888      2.291355
  H     -10.364088     -5.221995      3.547748
  H      -9.813138     -6.858470      3.959027
  H      -8.308129     -4.839584      2.162084
  H      -7.858220     -6.533643      2.321698
  H      -7.792819     -6.058386      4.913028
  H      -8.976768     -3.861136      4.503815
  H      -7.463082     -3.224059      3.861933
  H      -6.844675     -4.337484      6.386190
  H      -8.176749     -1.363139      4.637868
  H      -7.440023      0.899740      5.287240
  H      -6.092695      1.271545      7.335234
  H      -5.007832      0.662118      9.330163
  H      -6.249697     -2.973407      8.150096
  H      -0.548157     -4.068889      6.878563
  H      -1.323592     -3.905705      8.470101
  H      -0.396795     -2.564291      7.789552
  H      -2.766406     -2.025565      7.552438
  H      -2.073765     -2.264909      5.952699
  H      -4.376745     -3.092000      6.330071
  H      -3.150432     -5.291485      8.062327
  H      -4.157954     -3.931976      8.572226
  H      -5.044053     -5.913422      6.552247
  H      -6.883214     -7.267355      6.871400
  H      -8.571387     -8.177168      8.441510
  H      -8.696714     -7.361753     10.782231
  H      -8.077760     -6.080720     12.635995
  H      -5.389027     -4.698001     10.010808
  N      -5.155573     -2.754850      3.959120
  H      -5.436471     -1.778571      4.118239
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.716720823975
  N      -3.689164     -4.151708      1.981476
  C      -3.076124     -5.296120      1.301612
  C      -2.485025     -6.232241      2.330001
  N      -3.464046     -6.422729      3.422155
  C      -4.567398     -7.336329      3.045975
  C      -5.789841     -7.005491      3.877644
  N      -6.069867     -5.560007      3.853229
  Mo     -4.513470     -4.344748      3.765068
  N      -3.345807     -4.558182      5.333330
  C      -2.286169     -5.572053      5.370717
  C      -2.794044     -6.825451      4.681951
  H      -2.012680     -5.813715      6.407554
  H      -1.372196     -5.191045      4.883090
  H      -3.534357     -7.322731      5.323156
  H      -1.986199     -7.547916      4.477615
  H      -6.648278     -7.568462      3.478584
  H      -5.659115     -7.350281      4.921843
  H      -4.799195     -7.166880      1.985633
  H      -4.265189     -8.390218      3.168953
  H      -2.276880     -4.957279      0.627388
  H      -3.818437     -5.815203      0.666936
  H      -1.589886     -5.769672      2.768336
  H      -2.192381     -7.199172      1.887062
  C      -2.865798     -1.146110     -0.242341
  C      -2.748159     -2.588681      0.246769
  C      -3.971725     -3.008178      1.078711
  C      -5.224020     -3.299642      0.190912
  N      -6.467774     -2.758465      0.713569
  C      -6.805052     -1.412344      0.524271
  C      -6.600980     -0.764270     -0.708840
  C      -7.028933      0.550255     -0.878795
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  C      -7.889837      0.603809      1.368393
  S      -8.732613      1.383668      2.716089
  C      -7.437502     -0.706197      1.562960
  C      -9.790756     -6.020840      3.134354
  C      -8.339950     -5.651147      2.822214
  C      -7.519566     -5.315125      4.084563
  C      -7.870291     -3.912473      4.555744
  N      -7.435090     -3.611076      5.902206
  C      -7.149721     -2.316263      6.283271
  C      -7.507541     -1.195768      5.501370
  C      -7.103583      0.082153      5.895005
  C      -6.358958      0.289727      7.054211
  C      -6.054956     -0.816654      7.866764
  S      -5.142442     -0.673719      9.378649
  C      -6.459057     -2.098199      7.493742
  C      -1.089487     -3.392134      7.513978
  C      -2.344579     -2.793072      6.875316
  C      -3.524385     -3.727180      6.547777
  C      -3.968853     -4.591738      7.736257
  N      -5.185045     -5.311512      7.391470
  C      -6.029192     -5.898450      8.338392
  C      -6.942170     -6.883583      7.909819
  C      -7.875116     -7.404807      8.799388
  C      -7.924171     -6.976389     10.127304
  C      -7.010225     -6.006727     10.561783
  S      -6.978006     -5.397284     12.220765
  C      -6.064042     -5.472328      9.673509
  H      -1.986123     -0.864926     -0.837246
  H      -2.941857     -0.448045      0.604229
  H      -3.756020     -0.996644     -0.869997
  H      -1.846704     -2.691016      0.872286
  H      -2.620020     -3.261390     -0.616628
  H      -4.229631     -2.164975      1.732189
  H      -5.060357     -2.899857     -0.816753
  H      -5.341853     -4.387777      0.075398
  H      -6.658724     -3.068798      1.667140
  H      -6.146018     -1.294368     -1.545667
  H      -6.869317      1.041281     -1.840326
  H      -8.020056      2.268892     -0.016568
  H      -8.898125      2.585861      2.119459
  H      -7.578331     -1.189094      2.534027
  H     -10.305155     -6.381846      2.234528
  H     -10.361691     -5.163697      3.519107
  H      -9.833812     -6.817479      3.894454
  H      -8.292920     -4.790862      2.134658
  H      -7.858094     -6.487082      2.294891
  H      -7.820605     -6.017800      4.885456
  H      -8.964798     -3.805002      4.474866
  H      -7.437933     -3.186682      3.842573
  H      -6.857419     -4.310219      6.374126
  H      -8.128068     -1.313993      4.614466
  H      -7.375516      0.938432      5.275880
  H      -6.040845      1.293962      7.337971
  H      -4.984617      0.669457      9.340947
  H      -6.253314     -2.951666      8.140262
  H      -0.557917     -4.083247      6.846329
  H      -1.317016     -3.928000      8.447148
  H      -0.385905     -2.586271      7.769001
  H      -2.754434     -2.025501      7.553183
  H      -2.078461     -2.264771      5.945746
  H      -4.380813     -3.076831      6.330017
  H      -3.169200     -5.277337      8.070052
  H      -4.166570     -3.909144      8.572909
  H      -5.075835     -5.873566      6.551089
  H      -6.918820     -7.227498      6.873439
  H      -8.579798     -8.165252      8.457243
  H      -8.659653     -7.394779     10.814413
  H      -7.998181     -6.157089     12.681488
  H      -5.364084     -4.716847     10.030812
  N      -5.157088     -2.745541      3.949686
  H      -5.447345     -1.771273      4.102346
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.717337332600
  N      -3.713150     -4.169522      1.966665
  C      -3.102224     -5.322278      1.298825
  C      -2.514799     -6.249578      2.336782
  N      -3.493267     -6.425947      3.430900
  C      -4.597527     -7.342123      3.064514
  C      -5.817493     -7.001136      3.894412
  N      -6.095841     -5.555891      3.857319
  Mo     -4.539455     -4.341822      3.751433
  N      -3.371186     -4.542715      5.321268
  C      -2.312565     -5.557071      5.368633
  C      -2.823628     -6.817145      4.694290
  H      -2.037227     -5.786977      6.407599
  H      -1.398798     -5.183397      4.875084
  H      -3.564582     -7.305944      5.341192
  H      -2.017813     -7.543882      4.497048
  H      -6.677594     -7.566172      3.502291
  H      -5.686587     -7.336012      4.941747
  H      -4.829503     -7.184212      2.002472
  H      -4.296914     -8.395055      3.199112
  H      -2.298917     -4.991977      0.625313
  H      -3.843752     -5.844472      0.666041
  H      -1.618118     -5.784830      2.769554
  H      -2.224875     -7.222064      1.904162
  C      -2.786347     -1.182265     -0.238896
  C      -2.710945     -2.628842      0.245742
  C      -3.958181     -3.022832      1.056587
  C      -5.196379     -3.290278      0.144344
  N      -6.447253     -2.760216      0.659640
  C      -6.775368     -1.407971      0.502939
  C      -6.522165     -0.715950     -0.696882
  C      -6.940078      0.606007     -0.834402
  C      -7.624181      1.268350      0.185626
  C      -7.882724      0.583154      1.380190
  S      -8.768426      1.317531      2.725174
  C      -7.442950     -0.735615      1.541964
  C      -9.811886     -6.026000      3.115662
  C      -8.361130     -5.649125      2.814485
  C      -7.546889     -5.313367      4.082299
  C      -7.902816     -3.914708      4.558917
  N      -7.464394     -3.617280      5.905461
  C      -7.182783     -2.323119      6.291500
  C      -7.544228     -1.201246      5.513523
  C      -7.146130      0.076979      5.911909
  C      -6.402626      0.282603      7.071760
  C      -6.095650     -0.825200      7.881210
  S      -5.185683     -0.683259      9.394919
  C      -6.494592     -2.106920      7.503877
  C      -1.102671     -3.338147      7.454948
  C      -2.372038     -2.751253      6.833110
  C      -3.547616     -3.696850      6.526088
  C      -3.978069     -4.549320      7.728263
  N      -5.185037     -5.289192      7.394841
  C      -6.006706     -5.892356      8.350227
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  C      -7.828603     -7.420618      8.830797
  C      -7.853804     -7.008745     10.164473
  C      -6.939869     -6.036478     10.591574
  S      -6.877650     -5.447214     12.256713
  C      -6.017111     -5.483271      9.690766
  H      -1.893367     -0.921153     -0.822128
  H      -2.854748     -0.485368      0.608907
  H      -3.664336     -1.008467     -0.876456
  H      -1.821918     -2.754826      0.884731
  H      -2.586511     -3.301720     -0.617944
  H      -4.211497     -2.172983      1.703568
  H      -5.016186     -2.863999     -0.849514
  H      -5.315119     -4.374729     -0.001343
  H      -6.657332     -3.096689      1.599166
  H      -6.034603     -1.215323     -1.534767
  H      -6.740353      1.131885     -1.770430
  H      -7.956968      2.297830      0.051546
  H      -8.883127      2.550142      2.180022
  H      -7.615909     -1.251535      2.488939
  H     -10.323499     -6.371437      2.207729
  H     -10.384046     -5.175997      3.513624
  H      -9.857277     -6.835438      3.861518
  H      -8.315455     -4.788256      2.127153
  H      -7.873084     -6.481920      2.287487
  H      -7.851184     -6.019973      4.879485
  H      -8.998333     -3.813654      4.482137
  H      -7.478436     -3.184368      3.846994
  H      -6.885184     -4.316766      6.373797
  H      -8.165149     -1.318366      4.626727
  H      -7.422936      0.933526      5.294441
  H      -6.087957      1.286177      7.358463
  H      -5.032624      0.660287      9.360758
  H      -6.287569     -2.961838      8.148547
  H      -0.574317     -4.024733      6.779978
  H      -1.312187     -3.875246      8.392199
  H      -0.402964     -2.526161      7.698925
  H      -2.779169     -1.984239      7.513371
  H      -2.123256     -2.225575      5.896825
  H      -4.409826     -3.055081      6.306391
  H      -3.169091     -5.219266      8.071707
  H      -4.183053     -3.855777      8.554373
  H      -5.074574     -5.845410      6.550795
  H      -6.916011     -7.210352      6.887515
  H      -8.533110     -8.183082      8.494068
  H      -8.570795     -7.441833     10.861303
  H      -7.883443     -6.219599     12.728974
  H      -5.315037     -4.727855     10.042790
  N      -5.185724     -2.740945      3.920907
  H      -5.485348     -1.766990      4.063557
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.717964739697
  N      -3.730087     -4.182939      1.958645
  C      -3.128314     -5.347910      1.302443
  C      -2.549401     -6.270208      2.349755
  N      -3.530267     -6.429274      3.443633
  C      -4.638062     -7.343333      3.083469
  C      -5.857027     -6.989461      3.908451
  N      -6.126778     -5.542787      3.864459
  Mo     -4.566137     -4.334168      3.740523
  N      -3.398658     -4.525954      5.312868
  C      -2.347203     -5.546687      5.373631
  C      -2.866466     -6.810853      4.712565
  H      -2.074780     -5.766065      6.415460
  H      -1.429863     -5.186588      4.876725
  H      -3.612694     -7.286776      5.363022
  H      -2.065709     -7.545887      4.525664
  H      -6.719896     -7.550652      3.516942
  H      -5.732391     -7.320200      4.957733
  H      -4.866733     -7.194419      2.019372
  H      -4.343390     -8.396652      3.228587
  H      -2.319659     -5.031434      0.628577
  H      -3.872945     -5.869016      0.673015
  H      -1.649560     -5.807683      2.778223
  H      -2.266442     -7.248949      1.926716
  C      -2.695764     -1.211196     -0.219144
  C      -2.663321     -2.661674      0.258295
  C      -3.935559     -3.032969      1.041972
  C      -5.153989     -3.281907      0.102876
  N      -6.414615     -2.772732      0.613183
  C      -6.745572     -1.418821      0.485452
  C      -6.444400     -0.685228     -0.678105
  C      -6.863860      0.638819     -0.790645
  C      -7.594991      1.264239      0.218231
  C      -7.901675      0.538493      1.378525
  S      -8.853865      1.221816      2.706720
  C      -7.461863     -0.783149      1.515148
  C      -9.842738     -6.006313      3.117024
  C      -8.392395     -5.629621      2.820129
  C      -7.577303     -5.296235      4.088323
  C      -7.932018     -3.898662      4.566310
  N      -7.485531     -3.601054      5.910335
  C      -7.200486     -2.306773      6.293846
  C      -7.559051     -1.186610      5.512218
  C      -7.157977      0.091931      5.905787
  C      -6.413858      0.299211      7.064956
  C      -6.108421     -0.806905      7.877517
  S      -5.195587     -0.661818      9.389229
  C      -6.510046     -2.089021      7.504726
  C      -1.124263     -3.277783      7.411852
  C      -2.405319     -2.706481      6.801980
  C      -3.574409     -3.665206      6.507907
  C      -3.998346     -4.504642      7.721924
  N      -5.191899     -5.266144      7.390162
  C      -5.987229     -5.897447      8.348747
  C      -6.895082     -6.890555      7.927378
  C      -7.770397     -7.467808      8.840688
  C      -7.770122     -7.084998     10.184025
  C      -6.862837     -6.105946     10.609521
  S      -6.769306     -5.551671     12.286622
  C      -5.971612     -5.517596      9.698332
  H      -1.786917     -0.969064     -0.786543
  H      -2.760845     -0.517527      0.632104
  H      -3.558734     -1.012712     -0.870374
  H      -1.789923     -2.810546      0.913665
  H      -2.537150     -3.332986     -0.606835
  H      -4.189237     -2.177504      1.681766
  H      -4.959394     -2.826054     -0.874964
  H      -5.262660     -4.362000     -0.077034
  H      -6.641284     -3.138598      1.536553
  H      -5.917928     -1.151887     -1.508785
  H      -6.627233      1.195847     -1.698623
  H      -7.928860      2.295538      0.101855
  H      -8.938271      2.475631      2.206608
  H      -7.672451     -1.331946      2.436113
  H     -10.357823     -6.330634      2.202649
  H     -10.410966     -5.162979      3.533402
  H      -9.890069     -6.830344      3.845447
  H      -8.349244     -4.768022      2.132019
  H      -7.904127     -6.461728      2.291036
  H      -7.882763     -6.003146      4.885698
  H      -9.028806     -3.799265      4.496269
  H      -7.513336     -3.168255      3.852149
  H      -6.907162     -4.303252      6.376737
  H      -8.179974     -1.304273      4.625585
  H      -7.436123      0.945046      5.283587
  H      -6.096212      1.302387      7.347739
  H      -5.039811      0.681240      9.349207
  H      -6.303567     -2.942738      8.152239
  H      -0.594296     -3.955226      6.729634
  H      -1.318404     -3.819440      8.347943
  H      -0.433180     -2.458367      7.652841
  H      -2.813048     -1.942268      7.484534
  H      -2.171770     -2.181253      5.862464
  H      -4.440816     -3.031073      6.281791
  H      -3.181546     -5.156759      8.082819
  H      -4.218997     -3.799479      8.535215
  H      -5.074531     -5.809305      6.537062
  H      -6.913245     -7.198100      6.879183
  H      -8.470390     -8.234665      8.504097
  H      -8.462878     -7.544657     10.889443
  H      -7.744545     -6.356131     12.766908
  H      -5.271298     -4.760604     10.050966
  N      -5.210883     -2.731879      3.896365
  H      -5.522632     -1.760732      4.028183
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.718598434046
  N      -3.739140     -4.195852      1.951364
  C      -3.147267     -5.370880      1.302645
  C      -2.579258     -6.292757      2.356750
  N      -3.565585     -6.438371      3.447353
  C      -4.675094     -7.350883      3.088616
  C      -5.895394     -6.989034      3.907122
  N      -6.159703     -5.541312      3.857788
  Mo     -4.595422     -4.335064      3.723618
  N      -3.431623     -4.519424      5.300344
  C      -2.385390     -5.544297      5.372561
  C      -2.909840     -6.812073      4.722297
  H      -2.115398     -5.754343      6.416935
  H      -1.465201     -5.195285      4.873010
  H      -3.661712     -7.277336      5.373899
  H      -2.112625     -7.553607      4.546042
  H      -6.758468     -7.548802      3.513713
  H      -5.779004     -7.317036      4.958266
  H      -4.898746     -7.207510      2.022670
  H      -4.384688     -8.404450      3.240879
  H      -2.333506     -5.067016      0.629402
  H      -3.895653     -5.888147      0.675069
  H      -1.676947     -5.834553      2.784468
  H      -2.303214     -7.276212      1.940051
  C      -2.593138     -1.222936     -0.167875
  C      -2.602507     -2.680185      0.289812
  C      -3.900962     -3.036686      1.037455
  C      -5.095186     -3.262051      0.064472
  N      -6.368945     -2.779464      0.566043
  C      -6.710404     -1.426194      0.476742
  C      -6.358989     -0.639195     -0.636888
  C      -6.788844      0.684326     -0.714291
  C      -7.576877      1.259358      0.280955
  C      -7.933361      0.481380      1.392322
  S      -8.959105      1.098785      2.698197
  C      -7.487288     -0.841211      1.493768
  C      -9.879571     -5.998854      3.124903
  C      -8.430133     -5.623946      2.822357
  C      -7.609046     -5.291330      4.085615
  C      -7.958906     -3.892084      4.562355
  N      -7.500591     -3.588528      5.901361
  C      -7.218064     -2.291577      6.277312
  C      -7.583328     -1.177130      5.490772
  C      -7.188631      0.105590      5.876777
  C      -6.442611      0.323068      7.032899
  C      -6.127844     -0.777826      7.849016
  S      -5.208486     -0.620091      9.355601
  C      -6.524364     -2.064048      7.484352
  C      -1.137989     -3.242530      7.344948
  C      -2.433689     -2.678931      6.759579
  C      -3.601563     -3.644887      6.486813
  C      -4.015129     -4.470322      7.714107
  N      -5.205483     -5.241028      7.394479
  C      -5.973163     -5.892526      8.361268
  C      -6.889636     -6.880522      7.946433
  C      -7.732563     -7.482699      8.873954
  C      -7.692445     -7.129119     10.224838
  C      -6.778129     -6.153359     10.642742
  S      -6.635776     -5.634050     12.327778
  C      -5.918894     -5.540125      9.717277
  H      -1.666965     -0.993906     -0.712065
  H      -2.660717     -0.539866      0.691602
  H      -3.436723     -0.996018     -0.835089
  H      -1.747720     -2.855166      0.963173
  H      -2.469503     -3.342367     -0.581274
  H      -4.158216     -2.181494      1.676175
  H      -4.880791     -2.772248     -0.892414
  H      -5.190612     -4.335698     -0.155442
  H      -6.617779     -3.185629      1.466356
  H      -5.783629     -1.061360     -1.458678
  H      -6.512862      1.282054     -1.584605
  H      -7.916568      2.291412      0.190614
  H      -9.024516      2.374177      2.252943
  H      -7.741069     -1.433138      2.376608
  H     -10.401431     -6.308198      2.209045
  H     -10.442851     -5.159868      3.556581
  H      -9.925896     -6.833732      3.841154
  H      -8.391262     -4.763590      2.132156
  H      -7.946430     -6.457252      2.290809
  H      -7.913133     -5.996964      4.884794
  H      -9.056311     -3.791506      4.502393
  H      -7.546055     -3.166123      3.840749
  H      -6.921295     -4.289797      6.367417
  H      -8.205375     -1.300960      4.606074
  H      -7.478161      0.951351      5.249769
  H      -6.129921      1.329443      7.310172
  H      -5.058200      0.723369      9.306559
  H      -6.310241     -2.912785      8.135865
  H      -0.616999     -3.914669      6.650677
  H      -1.311170     -3.788069      8.282985
  H      -0.447993     -2.419301      7.575185
  H      -2.833637     -1.916457      7.448726
  H      -2.220804     -2.153736      5.815060
  H      -4.470701     -3.014474      6.260752
  H      -3.193498     -5.110841      8.085361
  H      -4.239374     -3.753772      8.516842
  H      -5.095711     -5.772903      6.533220
  H      -6.941074     -7.164426      6.892770
  H      -8.438794     -8.245911      8.542240
  H      -8.360647     -7.607398     10.941373
  H      -7.587975     -6.458073     12.820828
  H      -5.211915     -4.786467     10.063761
  N      -5.236732     -2.730612      3.867289
  H      -5.559723     -1.761921      3.989621
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.719281253690
  N      -3.746302     -4.212481      1.948014
  C      -3.168710     -5.398143      1.303952
  C      -2.610503     -6.321323      2.363097
  N      -3.600632     -6.452956      3.452422
  C      -4.712503     -7.364695      3.098882
  C      -5.933696     -6.994333      3.911784
  N      -6.191092     -5.545370      3.855987
  Mo     -4.623034     -4.341370      3.709164
  N      -3.458981     -4.514971      5.287222
  C      -2.418102     -5.544184      5.368663
  C      -2.949888     -6.816436      4.732701
  H      -2.147345     -5.743616      6.414957
  H      -1.496733     -5.207238      4.863136
  H      -3.705991     -7.269242      5.388057
  H      -2.156712     -7.564793      4.566950
  H      -6.797189     -7.552546      3.516535
  H      -5.825880     -7.318797      4.964978
  H      -4.933257     -7.228229      2.031374
  H      -4.425461     -8.418101      3.258705
  H      -2.352797     -5.107717      0.627598
  H      -3.924401     -5.910299      0.681424
  H      -1.704541     -5.868830      2.788828
  H      -2.343407     -7.309344      1.951460
  C      -2.490381     -1.237107     -0.100279
  C      -2.542665     -2.701848      0.330694
  C      -3.865757     -3.042618      1.041476
  C      -5.036351     -3.238436      0.035631
  N      -6.323473     -2.784153      0.528571
  C      -6.678487     -1.433412      0.486564
  C      -6.270944     -0.582939     -0.559604
  C      -6.718680      0.736756     -0.596457
  C      -7.579346      1.247901      0.372628
  C      -7.993173      0.406857      1.416042
  S      -9.117846      0.939262      2.677157
  C      -7.530391     -0.911854      1.479516
  C      -9.914346     -5.983069      3.130630
  C      -8.462916     -5.617748      2.824689
  C      -7.638307     -5.285743      4.084210
  C      -7.976185     -3.879791      4.550732
  N      -7.510286     -3.563322      5.884543
  C      -7.227512     -2.262440      6.245397
  C      -7.590759     -1.157386      5.444807
  C      -7.200168      0.130327      5.817411
  C      -6.458304      0.363181      6.973317
  C      -6.142260     -0.728619      7.801180
  S      -5.224024     -0.552462      9.306516
  C      -6.536718     -2.019644      7.450755
  C      -1.147635     -3.216553      7.282238
  C      -2.455374     -2.657622      6.719668
  C      -3.622688     -3.628110      6.465555
  C      -4.030814     -4.439637      7.703922
  N      -5.219892     -5.215098      7.392709
  C      -5.960957     -5.887714      8.365296
  C      -6.887058     -6.869214      7.956764
  C      -7.697715     -7.495734      8.896599
  C      -7.616393     -7.172310     10.253154
  C      -6.693875     -6.201097     10.663709
  S      -6.502193     -5.717069     12.354234
  C      -5.866520     -5.563896      9.725732
  H      -1.547362     -1.020930     -0.620085
  H      -2.559965     -0.568326      0.770046
  H      -3.313053     -0.977638     -0.781703
  H      -1.707288     -2.906594      1.019878
  H      -2.403269     -3.351513     -0.548756
  H      -4.124893     -2.189534      1.681838
  H      -4.801462     -2.711448     -0.896063
  H      -5.117399     -4.302705     -0.229569
  H      -6.600109     -3.239693      1.396816
  H      -5.635905     -0.949614     -1.364058
  H      -6.398430      1.382596     -1.416102
  H      -7.932091      2.277713      0.312151
  H      -9.174528      2.235450      2.295468
  H      -7.835589     -1.554398      2.309470
  H     -10.441382     -6.279093      2.213219
  H     -10.470304     -5.144292      3.572147
  H      -9.965700     -6.825598      3.837911
  H      -8.421348     -4.760315      2.130952
  H      -7.986619     -6.456180      2.294684
  H      -7.945928     -5.985324      4.887257
  H      -9.072773     -3.770046      4.495138
  H      -7.559924     -3.166556      3.818162
  H      -6.936861     -4.262720      6.360410
  H      -8.208958     -1.289822      4.559177
  H      -7.494289      0.965166      5.178073
  H      -6.149672      1.373660      7.241617
  H      -5.073890      0.790327      9.241103
  H      -6.321214     -2.859710      8.112568
  H      -0.635212     -3.883325      6.576335
  H      -1.303361     -3.767603      8.220519
  H      -0.458047     -2.390756      7.504623
  H      -2.847576     -1.896810      7.415237
  H      -2.260863     -2.131713      5.771344
  H      -4.493112     -2.999559      6.238667
  H      -3.207654     -5.071432      8.087039
  H      -4.258864     -3.712560      8.496508
  H      -5.119129     -5.733923      6.522479
  H      -6.973368     -7.127473      6.899091
  H      -8.411774     -8.253757      8.569789
  H      -8.260195     -7.668823     10.979276
  H      -7.432825     -6.558979     12.858464
  H      -5.152906     -4.813142     10.064377
  N      -5.260694     -2.735361      3.840796
  H      -5.598165     -1.770330      3.953351
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.719956584173
  N      -3.753413     -4.226788      1.945656
  C      -3.190786     -5.419584      1.300065
  C      -2.638092     -6.346368      2.359855
  N      -3.629885     -6.469780      3.449475
  C      -4.741632     -7.383206      3.101108
  C      -5.963918     -7.008875      3.910437
  N      -6.217247     -5.559461      3.849932
  Mo     -4.648150     -4.353733      3.695842
  N      -3.480579     -4.514674      5.272242
  C      -2.443165     -5.547056      5.357089
  C      -2.980713     -6.823512      4.733775
  H      -2.168407     -5.738254      6.403956
  H      -1.523134     -5.218213      4.844006
  H      -3.738881     -7.266194      5.393637
  H      -2.190044     -7.576327      4.576034
  H      -6.827076     -7.566624      3.513122
  H      -5.861628     -7.330765      4.964954
  H      -4.962038     -7.251975      2.032740
  H      -4.454088     -8.435717      3.265691
  H      -2.377076     -5.138283      0.617395
  H      -3.955535     -5.926211      0.684242
  H      -1.729043     -5.899394      2.784494
  H      -2.378366     -7.336648      1.949189
  C      -2.405969     -1.246607     -0.028054
  C      -2.496071     -2.718013      0.374228
  C      -3.839885     -3.045917      1.050427
  C      -4.989836     -3.212308      0.015751
  N      -6.289857     -2.781173      0.494469
  C      -6.652270     -1.433060      0.503335
  C      -6.180239     -0.519554     -0.459696
  C      -6.637928      0.797454     -0.453284
  C      -7.572180      1.246168      0.477745
  C      -8.051174      0.342031      1.436912
  S      -9.275008      0.792649      2.635789
  C      -7.579165     -0.973894      1.460399
  C      -9.942503     -5.981103      3.129959
  C      -8.489026     -5.623815      2.820749
  C      -7.662598     -5.291250      4.077932
  C      -7.989346     -3.878200      4.531451
  N      -7.517371     -3.547386      5.859474
  C      -7.237477     -2.242450      6.205638
  C      -7.602198     -1.147114      5.392490
  C      -7.219194      0.146014      5.753053
  C      -6.481224      0.395266      6.908016
  C      -6.159435     -0.687528      7.745721
  S      -5.241642     -0.492635      9.249054
  C      -6.548355     -1.983895      7.408389
  C      -1.151173     -3.205786      7.227571
  C      -2.466121     -2.646959      6.681648
  C      -3.635757     -3.617366      6.443512
  C      -4.040881     -4.414597      7.692203
  N      -5.235512     -5.187143      7.395006
  C      -5.952326     -5.873311      8.377047
  C      -6.891923     -6.846652      7.980554
  C      -7.674797     -7.486962      8.934216
  C      -7.551696     -7.185678     10.292490
  C      -6.616461     -6.221384     10.690702
  S      -6.374886     -5.763566     12.381640
  C      -5.816828     -5.570565      9.738591
  H      -1.447352     -1.040333     -0.522888
  H      -2.481080     -0.592857      0.853079
  H      -3.207112     -0.957195     -0.722762
  H      -1.679762     -2.950789      1.076993
  H      -2.348015     -3.353800     -0.513956
  H      -4.101843     -2.196833      1.694460
  H      -4.735060     -2.652170     -0.891052
  H      -5.057889     -4.266209     -0.291537
  H      -6.602874     -3.287126      1.322208
  H      -5.483353     -0.831362     -1.235918
  H      -6.265692      1.491196     -1.209685
  H      -7.931445      2.274982      0.451211
  H      -9.316804      2.108048      2.324378
  H      -7.943222     -1.665500      2.224229
  H     -10.473371     -6.269190      2.212301
  H     -10.492595     -5.141375      3.577010
  H      -9.997494     -6.827745      3.832294
  H      -8.443107     -4.767800      2.125886
  H      -8.018479     -6.466486      2.292775
  H      -7.973476     -5.984184      4.884948
  H      -9.084525     -3.758291      4.477366
  H      -7.567221     -3.179461      3.787521
  H      -6.948068     -4.241936      6.346955
  H      -8.216083     -1.288405      4.505738
  H      -7.519617      0.970765      5.103648
  H      -6.180518      1.410532      7.169299
  H      -5.095719      0.849782      9.169445
  H      -6.327358     -2.815829      8.078302
  H      -0.646411     -3.870521      6.514019
  H      -1.296454     -3.760554      8.165851
  H      -0.459696     -2.379507      7.443985
  H      -2.850164     -1.885788      7.381473
  H      -2.284600     -2.121202      5.730423
  H      -4.505663     -2.988232      6.215553
  H      -3.219337     -5.044704      8.081420
  H      -4.264197     -3.677823      8.477415
  H      -5.151205     -5.696808      6.517773
  H      -7.012582     -7.085268      6.921964
  H      -8.400319     -8.238305      8.617078
  H      -8.173999     -7.693273     11.029386
  H      -7.289668     -6.614405     12.900321
  H      -5.093262     -4.823924     10.064879
  N      -5.285092     -2.748265      3.820031
  H      -5.638505     -1.787974      3.927358
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.720653430673
  N      -3.761428     -4.241552      1.939674
  C      -3.216104     -5.443386      1.295619
  C      -2.667909     -6.370046      2.358138
  N      -3.659260     -6.480096      3.450136
  C      -4.772770     -7.393444      3.110457
  C      -5.993754     -7.008642      3.916586
  N      -6.239115     -5.558761      3.846472
  Mo     -4.666132     -4.356825      3.683793
  N      -3.495476     -4.504915      5.258000
  C      -2.464007     -5.543192      5.347041
  C      -3.010694     -6.823167      4.738426
  H      -2.185039     -5.726087      6.394342
  H      -1.545110     -5.224004      4.826002
  H      -3.771210     -7.252750      5.404283
  H      -2.224650     -7.582519      4.588952
  H      -6.859510     -7.563892      3.520974
  H      -5.894115     -7.324285      4.973220
  H      -4.993942     -7.270449      2.041151
  H      -4.487203     -8.445149      3.283175
  H      -2.405565     -5.173185      0.604766
  H      -3.990803     -5.945753      0.688762
  H      -1.754632     -5.928721      2.779420
  H      -2.417240     -7.364192      1.951415
  C      -2.319501     -1.277275      0.018306
  C      -2.453424     -2.750524      0.401432
  C      -3.816465     -3.055564      1.049973
  C      -4.950696     -3.196843     -0.004826
  N      -6.261140     -2.791684      0.466206
  C      -6.631939     -1.448171      0.532758
  C      -6.103243     -0.474328     -0.337194
  C      -6.569583      0.838543     -0.280970
  C      -7.568068      1.225947      0.610283
  C      -8.103311      0.261603      1.476476
  S      -9.411662      0.633417      2.611006
  C      -7.624297     -1.051361      1.452056
  C      -9.962302     -5.971836      3.116538
  C      -8.507153     -5.616111      2.811573
  C      -7.683628     -5.282894      4.071525
  C      -8.006038     -3.866602      4.516528
  N      -7.534193     -3.525576      5.841280
  C      -7.255295     -2.217585      6.174695
  C      -7.614630     -1.132150      5.346179
  C      -7.233950      0.165039      5.692975
  C      -6.502045      0.428849      6.848491
  C      -6.182947     -0.644373      7.699951
  S      -5.270646     -0.431933      9.204324
  C      -6.570436     -1.944825      7.376840
  C      -1.154065     -3.187963      7.184533
  C      -2.472601     -2.627539      6.648597
  C      -3.644319     -3.596945      6.421132
  C      -4.048436     -4.381556      7.677641
  N      -5.242812     -5.157750      7.388532
  C      -5.938771     -5.859335      8.375327
  C      -6.884764     -6.828838      7.985459
  C      -7.645092     -7.484014      8.947030
  C      -7.491869     -7.202076     10.306155
  C      -6.549818     -6.241838     10.697770
  S      -6.271783     -5.808223     12.388932
  C      -5.772802     -5.576259      9.737567
  H      -1.346291     -1.088806     -0.454684
  H      -2.396967     -0.631430      0.904901
  H      -3.097889     -0.960830     -0.689371
  H      -1.656646     -3.010813      1.116591
  H      -2.301482     -3.379223     -0.491149
  H      -4.077233     -2.205456      1.693013
  H      -4.686454     -2.605153     -0.889178
  H      -5.005932     -4.239753     -0.350852
  H      -6.604129     -3.345520      1.250059
  H      -5.350987     -0.732771     -1.080636
  H      -6.150490      1.578660     -0.965751
  H      -7.932620      2.253050      0.624103
  H      -9.441176      1.965459      2.377850
  H      -8.039165     -1.789225      2.142592
  H     -10.493289     -6.251045      2.196299
  H     -10.509750     -5.133823      3.569969
  H     -10.020012     -6.823989      3.811706
  H      -8.456577     -4.759016      2.118668
  H      -8.035640     -6.459444      2.285713
  H      -7.999311     -5.972057      4.879557
  H      -9.100407     -3.742153      4.459980
  H      -7.579297     -3.176784      3.766706
  H      -6.969983     -4.214868      6.341733
  H      -8.222169     -1.281725      4.456520
  H      -7.532254      0.981519      5.032303
  H      -6.204525      1.447430      7.101228
  H      -5.122292      0.908973      9.108331
  H      -6.349877     -2.769175      8.056257
  H      -0.653379     -3.850863      6.466192
  H      -1.294614     -3.746223      8.121899
  H      -0.461055     -2.362216      7.398857
  H      -2.851149     -1.865865      7.350969
  H      -2.298532     -2.101818      5.695763
  H      -4.513657     -2.968448      6.189204
  H      -3.227287     -5.008352      8.072768
  H      -4.271785     -3.637091      8.455853
  H      -5.167222     -5.658766      6.505656
  H      -7.028820     -7.050894      6.926238
  H      -8.376601     -8.232043      8.635917
  H      -8.096546     -7.722011     11.048937
  H      -7.173266     -6.668542     12.915940
  H      -5.042672     -4.832868     10.056275
  N      -5.298646     -2.749846      3.795798
  H      -5.664025     -1.792656      3.896632
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.721398165419
  N      -3.773340     -4.251329      1.935122
  C      -3.244889     -5.458437      1.287426
  C      -2.693128     -6.384379      2.348266
  N      -3.680068     -6.487511      3.445600
  C      -4.790648     -7.406470      3.116062
  C      -6.010851     -7.016470      3.921156
  N      -6.254049     -5.567728      3.839927
  Mo     -4.682866     -4.362838      3.676104
  N      -3.507478     -4.493327      5.245873
  C      -2.477737     -5.534239      5.333503
  C      -3.027767     -6.818234      4.736471
  H      -2.192128     -5.712079      6.380004
  H      -1.562728     -5.216628      4.804656
  H      -3.787706     -7.239328      5.408527
  H      -2.242775     -7.579745      4.592785
  H      -6.878137     -7.572133      3.529637
  H      -5.907072     -7.324479      4.979547
  H      -5.015892     -7.292242      2.046529
  H      -4.501098     -8.455829      3.295833
  H      -2.443173     -5.194592      0.584034
  H      -4.030991     -5.958282      0.692907
  H      -1.776283     -5.946637      2.765530
  H      -2.448539     -7.380259      1.942287
  C      -2.254552     -1.307862      0.047263
  C      -2.429554     -2.779406      0.419471
  C      -3.805871     -3.060634      1.051805
  C      -4.933582     -3.177424     -0.012274
  N      -6.251074     -2.787186      0.446974
  C      -6.621773     -1.448507      0.573943
  C      -6.022909     -0.422180     -0.182113
  C      -6.488669      0.887752     -0.076454
  C      -7.555694      1.221913      0.755531
  C      -8.160253      0.204475      1.508169
  S      -9.559119      0.508958      2.551091
  C      -7.682936     -1.107264      1.436398
  C      -9.975676     -5.985431      3.102645
  C      -8.519473     -5.630615      2.800417
  C      -7.698389     -5.288474      4.062989
  C      -8.017153     -3.867936      4.493111
  N      -7.544014     -3.514739      5.812789
  C      -7.260095     -2.204016      6.131308
  C      -7.609601     -1.128433      5.286001
  C      -7.229412      0.172047      5.620172
  C      -6.505943      0.449048      6.777626
  C      -6.191637     -0.614966      7.642833
  S      -5.287938     -0.386765      9.150080
  C      -6.578558     -1.918697      7.333015
  C      -1.158835     -3.183906      7.164480
  C      -2.472899     -2.614385      6.626913
  C      -3.650524     -3.576798      6.401691
  C      -4.058374     -4.350080      7.663421
  N      -5.255557     -5.126330      7.384305
  C      -5.933398     -5.837559      8.378227
  C      -6.881734     -6.808001      7.997167
  C      -7.623311     -7.472717      8.966983
  C      -7.447517     -7.199792     10.324944
  C      -6.501718     -6.240044     10.708468
  S      -6.196021     -5.819567     12.397595
  C      -5.743367     -5.565145      9.740010
  H      -1.269364     -1.138463     -0.408099
  H      -2.334139     -0.663854      0.935031
  H      -3.012155     -0.971987     -0.672749
  H      -1.649338     -3.064166      1.143195
  H      -2.277592     -3.404583     -0.475617
  H      -4.061242     -2.208593      1.694677
  H      -4.663651     -2.563363     -0.881029
  H      -4.985414     -4.211241     -0.386691
  H      -6.636370     -3.384546      1.176379
  H      -5.210862     -0.635525     -0.874453
  H      -6.011629      1.668089     -0.672822
  H      -7.919439      2.247768      0.810832
  H      -9.570167      1.853429      2.401266
  H      -8.158419     -1.883998      2.038620
  H     -10.506821     -6.266148      2.183172
  H     -10.521003     -5.145303      3.554768
  H     -10.033189     -6.835589      3.799535
  H      -8.463215     -4.773864      2.108000
  H      -8.044210     -6.475548      2.280931
  H      -8.016553     -5.970464      4.875774
  H      -9.110699     -3.738809      4.432390
  H      -7.585389     -3.189125      3.736317
  H      -6.985417     -4.197425      6.328076
  H      -8.208800     -1.284589      4.391593
  H      -7.520345      0.984258      4.950994
  H      -6.212183      1.470264      7.023853
  H      -5.133850      0.952077      9.038027
  H      -6.360381     -2.736740      8.021089
  H      -0.659538     -3.849226      6.447185
  H      -1.306383     -3.743068      8.100221
  H      -0.461111     -2.362747      7.381698
  H      -2.846930     -1.850269      7.328979
  H      -2.295511     -2.089014      5.674604
  H      -4.516671     -2.946604      6.162757
  H      -3.239728     -4.980338      8.057942
  H      -4.276143     -3.600149      8.438332
  H      -5.189635     -5.624524      6.498973
  H      -7.041288     -7.022213      6.938291
  H      -8.357789     -8.221325      8.664279
  H      -8.037795     -7.728078     11.073545
  H      -7.085755     -6.686482     12.934079
  H      -5.008247     -4.822945     10.050688
  N      -5.315783     -2.756900      3.780081
  H      -5.694879     -1.804276      3.881749
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.722212987072
  N      -3.780635     -4.261980      1.923898
  C      -3.268320     -5.477062      1.277814
  C      -2.717067     -6.401371      2.340198
  N      -3.701398     -6.493061      3.440938
  C      -4.812724     -7.413062      3.120211
  C      -6.031009     -7.012248      3.922797
  N      -6.268158     -5.563513      3.829073
  Mo     -4.693842     -4.362407      3.663268
  N      -3.518127     -4.483629      5.231878
  C      -2.493152     -5.529591      5.321971
  C      -3.049424     -6.814881      4.734520
  H      -2.204940     -5.703483      6.368415
  H      -1.578897     -5.217104      4.788659
  H      -3.811639     -7.225939      5.410252
  H      -2.268129     -7.581364      4.597487
  H      -6.901279     -7.566354      3.536358
  H      -5.925318     -7.312076      4.983342
  H      -5.039291     -7.307852      2.050024
  H      -4.524751     -8.461259      3.308934
  H      -2.470868     -5.224185      0.565987
  H      -4.063768     -5.973535      0.693073
  H      -1.795882     -5.968342      2.752929
  H      -2.480508     -7.400729      1.937903
  C      -2.193286     -1.338460      0.059799
  C      -2.400885     -2.806774      0.426237
  C      -3.788295     -3.068572      1.043898
  C      -4.906176     -3.165449     -0.029248
  N      -6.229609     -2.796580      0.425667
  C      -6.603755     -1.467246      0.619649
  C      -5.946255     -0.395232     -0.014176
  C      -6.411903      0.908599      0.150925
  C      -7.534768      1.193265      0.925689
  C      -8.196948      0.130408      1.557914
  S      -9.667514      0.373267      2.514944
  C      -7.722171     -1.178012      1.427455
  C      -9.987852     -5.989546      3.086128
  C      -8.532378     -5.631487      2.786460
  C      -7.712933     -5.282371      4.050508
  C      -8.034654     -3.860912      4.472596
  N      -7.561538     -3.498140      5.789045
  C      -7.279062     -2.183963      6.096061
  C      -7.630060     -1.118389      5.238914
  C      -7.253427      0.186305      5.559977
  C      -6.531064      0.476810      6.714822
  C      -6.212834     -0.577767      7.590418
  S      -5.308031     -0.332165      9.094220
  C      -6.596379     -1.885629      7.294285
  C      -1.160600     -3.173306      7.139171
  C      -2.473018     -2.599646      6.601786
  C      -3.655654     -3.557808      6.380755
  C      -4.065725     -4.320050      7.648223
  N      -5.263999     -5.097595      7.377199
  C      -5.925435     -5.816802      8.376481
  C      -6.876036     -6.788053      8.003279
  C      -7.600302     -7.462078      8.980071
  C      -7.404456     -7.197379     10.336957
  C      -6.455754     -6.237559     10.712836
  S      -6.125144     -5.828297     12.399955
  C      -5.714653     -5.553478      9.737302
  H      -1.198151     -1.185278     -0.379337
  H      -2.277514     -0.693074      0.946208
  H      -2.932493     -0.990687     -0.673681
  H      -1.635153     -3.109527      1.158187
  H      -2.249032     -3.430863     -0.469624
  H      -4.039133     -2.213761      1.685221
  H      -4.634660     -2.526458     -0.880507
  H      -4.950811     -4.189002     -0.432085
  H      -6.647345     -3.437164      1.097457
  H      -5.083658     -0.566761     -0.654160
  H      -5.886913      1.724208     -0.350096
  H      -7.897218      2.215879      1.029152
  H      -9.663264      1.724965      2.459525
  H      -8.246103     -1.989060      1.937336
  H     -10.519353     -6.269018      2.166607
  H     -10.532884     -5.150581      3.540869
  H     -10.043215     -6.840847      3.781398
  H      -8.475518     -4.774516      2.094316
  H      -8.052003     -6.475420      2.270166
  H      -8.032311     -5.960486      4.866100
  H      -9.128830     -3.735450      4.410611
  H      -7.605279     -3.185715      3.712084
  H      -7.003683     -4.174701      6.313163
  H      -8.227741     -1.283280      4.344847
  H      -7.544787      0.993999      4.885794
  H      -6.241067      1.501098      6.952364
  H      -5.152970      1.005161      8.965943
  H      -6.373386     -2.697568      7.988179
  H      -0.662985     -3.839862      6.422159
  H      -1.309928     -3.731971      8.074615
  H      -0.460223     -2.354584      7.356704
  H      -2.842811     -1.832861      7.303100
  H      -2.294655     -2.076075      5.648870
  H      -4.518826     -2.926027      6.135671
  H      -3.248020     -4.951122      8.043592
  H      -4.280049     -3.564068      8.418453
  H      -5.204117     -5.593514      6.489877
  H      -7.050021     -6.995470      6.945126
  H      -8.336929     -8.211380      8.684462
  H      -7.981854     -7.732785     11.090695
  H      -7.004085     -6.701241     12.944152
  H      -4.975909     -4.812209     10.041752
  N      -5.319453     -2.754022      3.759027
  H      -5.705475     -1.803842      3.860816
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.723064727854
  N      -3.790038     -4.273349      1.902472
  C      -3.289913     -5.497751      1.264094
  C      -2.735603     -6.414225      2.331602
  N      -3.716148     -6.493360      3.436159
  C      -4.826655     -7.417948      3.126253
  C      -6.043850     -7.005037      3.924349
  N      -6.278514     -5.556753      3.811545
  Mo     -4.703942     -4.357787      3.643725
  N      -3.532211     -4.467866      5.214732
  C      -2.508548     -5.515022      5.311909
  C      -3.065605     -6.802684      4.732817
  H      -2.220877     -5.684211      6.359203
  H      -1.593827     -5.204495      4.777915
  H      -3.830340     -7.205956      5.410376
  H      -2.285962     -7.572301      4.604477
  H      -6.916234     -7.560927      3.546949
  H      -5.934275     -7.292236      4.988127
  H      -5.053146     -7.326531      2.054901
  H      -4.539616     -8.463853      3.328885
  H      -2.494726     -5.258748      0.545406
  H      -4.092199     -5.994614      0.689623
  H      -1.810608     -5.981693      2.736687
  H      -2.504492     -7.418262      1.937285
  C      -2.138550     -1.381245      0.031049
  C      -2.378892     -2.842051      0.403975
  C      -3.771202     -3.080149      1.022124
  C      -4.886732     -3.155516     -0.049360
  N      -6.210573     -2.804951      0.411756
  C      -6.583299     -1.490002      0.685437
  C      -5.867270     -0.381851      0.193080
  C      -6.328514      0.912150      0.432671
  C      -7.499987      1.152078      1.147283
  C      -8.218191      0.053222      1.643387
  S      -9.748886      0.239379      2.515625
  C      -7.750848     -1.248990      1.437926
  C      -9.995607     -6.002386      3.063490
  C      -8.542348     -5.640201      2.765747
  C      -7.724787     -5.277865      4.029139
  C      -8.052835     -3.855590      4.441690
  N      -7.584344     -3.487037      5.758745
  C      -7.297911     -2.170917      6.059042
  C      -7.645009     -1.111598      5.192935
  C      -7.264385      0.194445      5.504753
  C      -6.542166      0.490271      6.658458
  C      -6.226979     -0.558345      7.542071
  S      -5.320883     -0.303599      9.043454
  C      -6.613801     -1.867265      7.255389
  C      -1.172136     -3.142635      7.116489
  C      -2.483259     -2.572350      6.572722
  C      -3.668731     -3.530621      6.355285
  C      -4.079749     -4.281754      7.629020
  N      -5.274646     -5.066218      7.364250
  C      -5.922823     -5.788582      8.368617
  C      -6.866322     -6.769873      8.002723
  C      -7.577916     -7.450392      8.985164
  C      -7.376677     -7.181382     10.340903
  C      -6.434914     -6.212010     10.709538
  S      -6.097127     -5.797422     12.394716
  C      -5.706424     -5.521378      9.728214
  H      -1.136764     -1.250152     -0.399660
  H      -2.220525     -0.726405      0.910937
  H      -2.863274     -1.027865     -0.715727
  H      -1.621609     -3.160437      1.138704
  H      -2.239290     -3.470783     -0.490596
  H      -4.006714     -2.220171      1.663006
  H      -4.620118     -2.493061     -0.885561
  H      -4.933515     -4.169207     -0.475335
  H      -6.660087     -3.487380      1.017064
  H      -4.958465     -0.518296     -0.387482
  H      -5.757483      1.756336      0.042338
  H      -7.856823      2.169164      1.310100
  H      -9.727557      1.590307      2.575882
  H      -8.317024     -2.088876      1.847931
  H     -10.526733     -6.287067      2.145446
  H     -10.542187     -5.162911      3.515910
  H     -10.047761     -6.850679      3.762701
  H      -8.487885     -4.786590      2.068627
  H      -8.054568     -6.483714      2.255622
  H      -8.045415     -5.949821      4.849829
  H      -9.148430     -3.737330      4.375745
  H      -7.627378     -3.179562      3.681318
  H      -7.030173     -4.162572      6.288423
  H      -8.242617     -1.280836      4.299412
  H      -7.548928      1.003552      4.829737
  H      -6.249125      1.514848      6.888791
  H      -5.158690      1.032018      8.902658
  H      -6.391450     -2.676748      7.952465
  H      -0.672852     -3.811928      6.404000
  H      -1.321734     -3.695282      8.054525
  H      -0.472543     -2.323242      7.331994
  H      -2.852533     -1.800790      7.268891
  H      -2.301740     -2.054767      5.617634
  H      -4.529346     -2.899198      6.101248
  H      -3.259601     -4.909548      8.025612
  H      -4.294392     -3.519308      8.392933
  H      -5.211628     -5.566067      6.478747
  H      -7.043352     -6.981530      6.945549
  H      -8.308595     -8.207782      8.695643
  H      -7.945013     -7.720787     11.099068
  H      -6.964164     -6.677665     12.944861
  H      -4.972608     -4.774005     10.029732
  N      -5.323814     -2.746753      3.730325
  H      -5.714942     -1.798922      3.835192
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.723718826458
  N      -3.796615     -4.276666      1.893260
  C      -3.311721     -5.506155      1.252274
  C      -2.758509     -6.426301      2.317625
  N      -3.735586     -6.498751      3.425555
  C      -4.849500     -7.419964      3.120628
  C      -6.062531     -6.998206      3.919992
  N      -6.290474     -5.548952      3.802769
  Mo     -4.710437     -4.356290      3.634872
  N      -3.537235     -4.470311      5.203979
  C      -2.519269     -5.523578      5.298382
  C      -3.084764     -6.808263      4.721825
  H      -2.229203     -5.694488      6.344715
  H      -1.604701     -5.217360      4.761606
  H      -3.851514     -7.205001      5.401043
  H      -2.310115     -7.583145      4.594708
  H      -6.939081     -7.550114      3.546945
  H      -5.950486     -7.282631      4.984138
  H      -5.077826     -7.331780      2.049430
  H      -4.566324     -8.466181      3.326917
  H      -2.518757     -5.276172      0.528409
  H      -4.122207     -5.996370      0.683783
  H      -1.828765     -6.000304      2.718830
  H      -2.535961     -7.432123      1.922784
  C      -2.091584     -1.387527      0.061772
  C      -2.351428     -2.847397      0.423658
  C      -3.753737     -3.077084      1.022259
  C      -4.852746     -3.133495     -0.064599
  N      -6.184624     -2.804939      0.386914
  C      -6.563789     -1.505594      0.717735
  C      -5.801331     -0.379116      0.352396
  C      -6.267423      0.904241      0.636922
  C      -7.488461      1.116240      1.272038
  C      -8.254214     -0.001013      1.641073
  S      -9.851111      0.149815      2.393986
  C      -7.783195     -1.294687      1.393526
  C     -10.007934     -6.005349      3.063361
  C      -8.557635     -5.635974      2.763729
  C      -7.737015     -5.271463      4.025661
  C      -8.073327     -3.851745      4.439397
  N      -7.599212     -3.473569      5.751504
  C      -7.320251     -2.152414      6.037530
  C      -7.685640     -1.107942      5.161386
  C      -7.314292      0.205224      5.451632
  C      -6.583527      0.522213      6.594866
  C      -6.248708     -0.512470      7.488382
  S      -5.327625     -0.230164      8.975585
  C      -6.625912     -1.828752      7.222636
  C      -1.159060     -3.158556      7.094374
  C      -2.468060     -2.579182      6.555512
  C      -3.662264     -3.528381      6.342543
  C      -4.074496     -4.271975      7.620508
  N      -5.276077     -5.049085      7.364743
  C      -5.912575     -5.774230      8.374259
  C      -6.864177     -6.750985      8.016837
  C      -7.561848     -7.436541      9.005876
  C      -7.339548     -7.176251     10.360248
  C      -6.390042     -6.211472     10.720408
  S      -6.025622     -5.808118     12.403136
  C      -5.674742     -5.516308      9.732324
  H      -1.081334     -1.263466     -0.350861
  H      -2.184095     -0.734555      0.942083
  H      -2.799583     -1.026781     -0.698013
  H      -1.607612     -3.178991      1.166414
  H      -2.206928     -3.471467     -0.473548
  H      -3.989166     -2.218705      1.665599
  H      -4.581317     -2.447840     -0.881186
  H      -4.887702     -4.135872     -0.517413
  H      -6.663413     -3.520214      0.926942
  H      -4.851498     -0.493521     -0.162234
  H      -5.659578      1.762455      0.346014
  H      -7.848754      2.126310      1.467881
  H      -9.821693      1.493069      2.549377
  H      -8.389439     -2.148443      1.704256
  H     -10.541988     -6.285872      2.145589
  H     -10.554965     -5.170611      3.523521
  H     -10.054454     -6.857853      3.757224
  H      -8.509481     -4.779754      2.068711
  H      -8.065952     -6.475192      2.249733
  H      -8.052951     -5.944786      4.847457
  H      -9.170797     -3.744439      4.380542
  H      -7.660539     -3.172669      3.675919
  H      -7.037088     -4.141577      6.281841
  H      -8.290508     -1.293840      4.276391
  H      -7.611619      1.005565      4.771236
  H      -6.298466      1.552565      6.810221
  H      -5.174624      1.104072      8.812846
  H      -6.385898     -2.628905      7.924981
  H      -0.666173     -3.829272      6.379022
  H      -1.308585     -3.711581      8.031770
  H      -0.453783     -2.344209      7.309566
  H      -2.828758     -1.805238      7.253429
  H      -2.286129     -2.062593      5.600174
  H      -4.517636     -2.890236      6.088006
  H      -3.256720     -4.905272      8.013723
  H      -4.279536     -3.505229      8.382877
  H      -5.223045     -5.546217      6.476627
  H      -7.057540     -6.955722      6.961101
  H      -8.298620     -8.190514      8.723102
  H      -7.897913     -7.718868     11.123735
  H      -6.886388     -6.689407     12.960760
  H      -4.933771     -4.773812     10.028527
  N      -5.318879     -2.741781      3.723832
  H      -5.711764     -1.795644      3.834881
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.724426309663
  N      -3.791694     -4.276747      1.882574
  C      -3.317485     -5.512128      1.245312
  C      -2.766349     -6.430591      2.313267
  N      -3.744162     -6.495350      3.421448
  C      -4.859751     -7.416229      3.120843
  C      -6.073162     -6.983856      3.914459
  N      -6.295753     -5.534406      3.784524
  Mo     -4.711392     -4.347034      3.622313
  N      -3.542860     -4.458889      5.194731
  C      -2.528034     -5.515236      5.292772
  C      -3.096412     -6.799892      4.720151
  H      -2.239255     -5.684563      6.339720
  H      -1.612399     -5.212168      4.756002
  H      -3.866412     -7.190193      5.399511
  H      -2.324327     -7.578373      4.599103
  H      -6.951663     -7.535071      3.545047
  H      -5.962431     -7.259777      4.980971
  H      -5.085477     -7.336126      2.048472
  H      -4.579855     -8.461447      3.336353
  H      -2.526401     -5.292052      0.516021
  H      -4.134250     -6.000336      0.684054
  H      -1.834485     -6.007247      2.712368
  H      -2.548392     -7.438795      1.921855
  C      -2.074748     -1.397710      0.040941
  C      -2.336597     -2.855476      0.410385
  C      -3.738615     -3.079774      1.010160
  C      -4.834446     -3.135282     -0.078633
  N      -6.171761     -2.833566      0.373012
  C      -6.561360     -1.555429      0.761490
  C      -5.773014     -0.415749      0.508230
  C      -6.242844      0.850996      0.855054
  C      -7.489768      1.032705      1.447102
  C      -8.281019     -0.098431      1.704971
  S      -9.909124      0.015364      2.395152
  C      -7.809542     -1.377475      1.391957
  C     -10.008960     -5.990569      3.024813
  C      -8.557263     -5.621070      2.733732
  C      -7.743279     -5.252748      3.999190
  C      -8.081820     -3.831462      4.406851
  N      -7.612340     -3.452168      5.720824
  C      -7.326107     -2.132102      6.006459
  C      -7.686075     -1.086103      5.129691
  C      -7.306613      0.224903      5.419375
  C      -6.573179      0.537454      6.562320
  C      -6.243420     -0.498834      7.455819
  S      -5.317931     -0.221776      8.941229
  C      -6.628377     -1.812952      7.190641
  C      -1.157992     -3.156284      7.087830
  C      -2.461657     -2.570644      6.542910
  C      -3.662675     -3.511686      6.329623
  C      -4.081390     -4.247964      7.609654
  N      -5.287551     -5.019279      7.357709
  C      -5.918919     -5.744859      8.370073
  C      -6.871561     -6.722452      8.017314
  C      -7.562197     -7.410500      9.009679
  C      -7.332192     -7.151691     10.363197
  C      -6.381847     -6.186137     10.718680
  S      -6.007422     -5.784673     12.400034
  C      -5.673354     -5.488515      9.727148
  H      -1.062396     -1.276472     -0.367420
  H      -2.171717     -0.738475      0.916079
  H      -2.778502     -1.042936     -0.726472
  H      -1.593676     -3.186915      1.154153
  H      -2.194883     -3.483230     -0.484784
  H      -3.970270     -2.219440      1.651892
  H      -4.571645     -2.433955     -0.885629
  H      -4.855862     -4.131674     -0.545231
  H      -6.667601     -3.578716      0.852218
  H      -4.800257     -0.508588      0.034504
  H      -5.615343      1.720067      0.651864
  H      -7.851543      2.031243      1.692879
  H      -9.873398      1.341673      2.658572
  H      -8.436863     -2.242875      1.616062
  H     -10.538094     -6.271364      2.104301
  H     -10.558457     -5.155625      3.481732
  H     -10.059461     -6.842730      3.718621
  H      -8.506051     -4.765385      2.038313
  H      -8.060802     -6.459712      2.223239
  H      -8.065078     -5.922374      4.821736
  H      -9.179303     -3.724924      4.343452
  H      -7.667482     -3.152255      3.644371
  H      -7.056816     -4.122704      6.254536
  H      -8.291215     -1.268980      4.244240
  H      -7.596084      1.029806      4.740915
  H      -6.281763      1.565911      6.776975
  H      -5.153835      1.110938      8.776210
  H      -6.388953     -2.615913      7.890111
  H      -0.665974     -3.830862      6.375640
  H      -1.313199     -3.706286      8.026021
  H      -0.449173     -2.345405      7.304245
  H      -2.819019     -1.792274      7.237609
  H      -2.273168     -2.057863      5.586852
  H      -4.511958     -2.867586      6.069853
  H      -3.267024     -4.885929      8.002647
  H      -4.281201     -3.477578      8.369888
  H      -5.238401     -5.517437      6.469692
  H      -7.070302     -6.926553      6.962382
  H      -8.299525     -8.165295      8.730524
  H      -7.885303     -7.696101     11.129330
  H      -6.864134     -6.667256     12.961524
  H      -4.931254     -4.746217     10.021343
  N      -5.310481     -2.729218      3.710499
  H      -5.704671     -1.784155      3.829268
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.725159064253
  N      -3.794434     -4.276202      1.874099
  C      -3.326210     -5.515098      1.240222
  C      -2.779726     -6.434055      2.310893
  N      -3.758894     -6.493778      3.418378
  C      -4.878076     -7.411494      3.119242
  C      -6.090863     -6.970353      3.908947
  N      -6.308924     -5.520273      3.771216
  Mo     -4.719836     -4.339306      3.612116
  N      -3.555164     -4.456239      5.188260
  C      -2.543643     -5.515394      5.290308
  C      -3.115290     -6.798486      4.718205
  H      -2.257435     -5.684156      6.337988
  H      -1.625752     -5.216549      4.754976
  H      -3.888734     -7.184518      5.396119
  H      -2.346411     -7.580766      4.600928
  H      -6.971133     -7.520403      3.542224
  H      -5.982653     -7.240781      4.977254
  H      -5.100445     -7.336327      2.045861
  H      -4.603433     -8.456748      3.341436
  H      -2.532385     -5.302646      0.511101
  H      -4.145471     -6.000773      0.680527
  H      -1.846488     -6.012975      2.709146
  H      -2.565100     -7.443851      1.921532
  C      -2.054800     -1.388705      0.061863
  C      -2.314417     -2.850445      0.420603
  C      -3.720313     -3.076669      1.008513
  C      -4.797977     -3.124762     -0.097660
  N      -6.144911     -2.849081      0.340272
  C      -6.552349     -1.590490      0.763910
  C      -5.757462     -0.440176      0.587654
  C      -6.240529      0.808128      0.981234
  C      -7.503486      0.960290      1.546480
  C      -8.302704     -0.181079      1.723066
  S      -9.948410     -0.109511      2.376767
  C      -7.821769     -1.441592      1.356843
  C     -10.020993     -5.977896      3.006191
  C      -8.569122     -5.608664      2.717124
  C      -7.756743     -5.235084      3.980941
  C      -8.096207     -3.812074      4.384833
  N      -7.630991     -3.433965      5.702394
  C      -7.331697     -2.116804      5.990079
  C      -7.679506     -1.066704      5.113139
  C      -7.287470      0.240417      5.404803
  C      -6.553823      0.544261      6.550453
  C      -6.236364     -0.495849      7.443492
  S      -5.311557     -0.228745      8.931101
  C      -6.632971     -1.806228      7.175685
  C      -1.152625     -3.158184      7.067197
  C      -2.455015     -2.568386      6.523812
  C      -3.664158     -3.501888      6.318893
  C      -4.084112     -4.228808      7.603608
  N      -5.293206     -4.996834      7.356914
  C      -5.918206     -5.722703      8.372282
  C      -6.869511     -6.703925      8.025200
  C      -7.551502     -7.395349      9.021451
  C      -7.315059     -7.136155     10.374103
  C      -6.366648     -6.166494     10.723553
  S      -5.983561     -5.763437     12.403342
  C      -5.666605     -5.465382      9.728050
  H      -1.040321     -1.262087     -0.339848
  H      -2.157181     -0.736100      0.941465
  H      -2.755939     -1.030260     -0.707596
  H      -1.574753     -3.186762      1.165393
  H      -2.170351     -3.472478     -0.478277
  H      -3.952857     -2.220090      1.654160
  H      -4.531282     -2.406272     -0.888635
  H      -4.799272     -4.113880     -0.579358
  H      -6.653314     -3.619061      0.762154
  H      -4.773031     -0.512457      0.135450
  H      -5.609671      1.686661      0.839536
  H      -7.872266      1.946116      1.830344
  H      -9.917843      1.194203      2.736406
  H      -8.454764     -2.317007      1.513289
  H     -10.548406     -6.257222      2.084266
  H     -10.571921     -5.143579      3.462969
  H     -10.074234     -6.831158      3.698592
  H      -8.520832     -4.757035      2.016888
  H      -8.071337     -6.448093      2.209084
  H      -8.081692     -5.900362      4.805778
  H      -9.193941     -3.707558      4.319667
  H      -7.682941     -3.130042      3.624018
  H      -7.086387     -4.112708      6.236611
  H      -8.282600     -1.246192      4.225496
  H      -7.563198      1.049168      4.725189
  H      -6.251707      1.569558      6.765092
  H      -5.131325      1.102058      8.765920
  H      -6.400873     -2.612942      7.873208
  H      -0.666209     -3.836841      6.355326
  H      -1.305990     -3.703961      8.007887
  H      -0.439765     -2.349724      7.279258
  H      -2.804625     -1.784252      7.215938
  H      -2.266321     -2.062016      5.564552
  H      -4.507615     -2.850928      6.057462
  H      -3.270737     -4.866977      7.998646
  H      -4.279737     -3.452787      8.359452
  H      -5.246490     -5.495953      6.469134
  H      -7.073530     -6.909883      6.971409
  H      -8.287157     -8.153148      8.745703
  H      -7.861515     -7.682671     11.143669
  H      -6.832848     -6.650082     12.969124
  H      -4.925875     -4.720885     10.020334
  N      -5.311302     -2.718847      3.707895
  H      -5.704256     -1.775381      3.839023
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.725949767992
  N      -3.797349     -4.277738      1.878836
  C      -3.338790     -5.516576      1.239811
  C      -2.798374     -6.441140      2.308965
  N      -3.779057     -6.497337      3.416635
  C      -4.900144     -7.413006      3.121129
  C      -6.112370     -6.967143      3.909357
  N      -6.326370     -5.518276      3.764644
  Mo     -4.733535     -4.340258      3.608391
  N      -3.564650     -4.450710      5.181310
  C      -2.557078     -5.514056      5.281996
  C      -3.134248     -6.798852      4.717776
  H      -2.266306     -5.678923      6.329157
  H      -1.641353     -5.220457      4.740220
  H      -3.907638     -7.177993      5.399699
  H      -2.367728     -7.583816      4.603430
  H      -6.993569     -7.516955      3.543633
  H      -6.005252     -7.231581      4.979298
  H      -5.123564     -7.340570      2.047624
  H      -4.626312     -8.457815      3.346039
  H      -2.548886     -5.303922      0.506109
  H      -4.163375     -5.997988      0.683521
  H      -1.864418     -6.025186      2.710471
  H      -2.587976     -7.450777      1.917341
  C      -2.011472     -1.388453      0.131546
  C      -2.287269     -2.855151      0.462905
  C      -3.704247     -3.072277      1.027607
  C      -4.765310     -3.102731     -0.098257
  N      -6.124222     -2.853840      0.318067
  C      -6.560723     -1.616347      0.768943
  C      -5.776507     -0.449795      0.663355
  C      -6.287939      0.775580      1.091265
  C      -7.570410      0.889264      1.624860
  C      -8.358612     -0.267314      1.725413
  S     -10.021112     -0.243675      2.336020
  C      -7.852871     -1.504115      1.318887
  C     -10.037591     -5.956967      2.987684
  C      -8.580609     -5.597563      2.701468
  C      -7.772203     -5.220490      3.967331
  C      -8.098093     -3.790562      4.357162
  N      -7.639619     -3.408372      5.675804
  C      -7.318603     -2.096574      5.959874
  C      -7.629981     -1.043077      5.072759
  C      -7.218919      0.257535      5.367880
  C      -6.500537      0.553505      6.524736
  C      -6.216954     -0.489362      7.425493
  S      -5.313547     -0.235005      8.928569
  C      -6.632835     -1.793347      7.155189
  C      -1.145520     -3.162336      7.040877
  C      -2.446764     -2.564805      6.500928
  C      -3.661986     -3.490338      6.305778
  C      -4.082916     -4.207800      7.594103
  N      -5.294923     -4.973786      7.352954
  C      -5.912106     -5.705640      8.370379
  C      -6.866955     -6.684128      8.027627
  C      -7.541799     -7.376825      9.027220
  C      -7.292660     -7.122943     10.377705
  C      -6.339322     -6.156494     10.722883
  S      -5.941269     -5.760436     12.399214
  C      -5.647588     -5.453607      9.724101
  H      -0.990115     -1.261345     -0.252329
  H      -2.120946     -0.751622      1.021506
  H      -2.698547     -1.009541     -0.638339
  H      -1.560382     -3.208743      1.211434
  H      -2.134365     -3.465658     -0.442243
  H      -3.941300     -2.221746      1.678475
  H      -4.490739     -2.363243     -0.867184
  H      -4.741839     -4.080084     -0.603966
  H      -6.644574     -3.647106      0.678926
  H      -4.778175     -0.490567      0.235919
  H      -5.663492      1.666766      1.005181
  H      -7.959773      1.857004      1.941105
  H     -10.014439      1.041188      2.761104
  H      -8.483273     -2.389578      1.407490
  H     -10.563348     -6.234185      2.064482
  H     -10.584041     -5.117638      3.441178
  H     -10.099453     -6.809342      3.680821
  H      -8.522077     -4.749806      1.999526
  H      -8.087014     -6.443432      2.201356
  H      -8.106494     -5.877124      4.794479
  H      -9.192737     -3.671876      4.282792
  H      -7.669063     -3.122018      3.591493
  H      -7.119853     -4.091405      6.228158
  H      -8.217500     -1.215654      4.172615
  H      -7.466103      1.065893      4.677932
  H      -6.184949      1.574300      6.742326
  H      -5.101437      1.090429      8.761329
  H      -6.424946     -2.601236      7.858321
  H      -0.663067     -3.845030      6.329602
  H      -1.301998     -3.707783      7.982642
  H      -0.427557     -2.356690      7.249803
  H      -2.789616     -1.776813      7.192261
  H      -2.259743     -2.061105      5.539269
  H      -4.502629     -2.836258      6.043471
  H      -3.273307     -4.847787      7.992378
  H      -4.274772     -3.427591      8.346857
  H      -5.256282     -5.470505      6.464298
  H      -7.079580     -6.884932      6.974576
  H      -8.281327     -8.132415      8.755750
  H      -7.832958     -7.672066     11.149014
  H      -6.789186     -6.646182     12.970938
  H      -4.903240     -4.709898     10.008635
  N      -5.321781     -2.719475      3.707173
  H      -5.721148     -1.778811      3.846962
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.726037655812
  N      -3.787629     -4.272129      1.888000
  C      -3.310084     -5.502508      1.251482
  C      -2.777392     -6.427314      2.325425
  N      -3.764708     -6.491315      3.426921
  C      -4.890901     -7.401788      3.124269
  C      -6.106203     -6.957192      3.908453
  N      -6.326024     -5.508995      3.761010
  Mo     -4.730532     -4.336746      3.612633
  N      -3.564145     -4.457984      5.192908
  C      -2.551304     -5.514688      5.296933
  C      -3.121508     -6.800984      4.725823
  H      -2.265400     -5.677787      6.345878
  H      -1.633165     -5.219909      4.760074
  H      -3.893401     -7.188443      5.404718
  H      -2.352005     -7.582424      4.607690
  H      -6.983671     -7.513606      3.542957
  H      -6.005885     -7.216492      4.980069
  H      -5.107554     -7.328051      2.049525
  H      -4.621603     -8.447624      3.350454
  H      -2.509516     -5.278856      0.531126
  H      -4.122038     -5.990292      0.681431
  H      -1.850666     -6.003474      2.734781
  H      -2.556172     -7.434568      1.933753
  C      -2.054168     -1.343973      0.166544
  C      -2.287460     -2.825218      0.477191
  C      -3.698756     -3.062885      1.047248
  C      -4.754600     -3.098553     -0.090589
  N      -6.122034     -2.871119      0.321317
  C      -6.604231     -1.633187      0.710480
  C      -5.902159     -0.431320      0.475811
  C      -6.476822      0.787404      0.838765
  C      -7.739866      0.861701      1.428816
  C      -8.442648     -0.329157      1.656422
  S     -10.064211     -0.376863      2.365774
  C      -7.874540     -1.555379      1.311997
  C     -10.034183     -5.896894      2.958524
  C      -8.568248     -5.563590      2.679336
  C      -7.768198     -5.195801      3.947285
  C      -8.070041     -3.758248      4.335671
  N      -7.627221     -3.403412      5.670932
  C      -7.258602     -2.115345      5.993687
  C      -7.503798     -1.024171      5.131206
  C      -7.038659      0.247680      5.471282
  C      -6.338488      0.480742      6.652852
  C      -6.126475     -0.596549      7.530555
  S      -5.252808     -0.423460      9.062849
  C      -6.591684     -1.872915      7.212673
  C      -1.125435     -3.181921      7.033563
  C      -2.430431     -2.582944      6.504009
  C      -3.650140     -3.502132      6.322361
  C      -4.065002     -4.224606      7.610225
  N      -5.285903     -4.976175      7.369559
  C      -5.925936     -5.693033      8.382988
  C      -6.888489     -6.660803      8.032690
  C      -7.589006     -7.335359      9.025259
  C      -7.360653     -7.073675     10.377360
  C      -6.401899     -6.115171     10.729856
  S      -6.029212     -5.706340     12.408469
  C      -5.683842     -5.430645      9.738252
  H      -1.040616     -1.183020     -0.224366
  H      -2.164097     -0.731941      1.073495
  H      -2.760802     -0.961240     -0.581205
  H      -1.541040     -3.168286      1.210602
  H      -2.135879     -3.425400     -0.435080
  H      -3.938949     -2.224765      1.711213
  H      -4.479897     -2.358622     -0.856342
  H      -4.701955     -4.080474     -0.583113
  H      -6.615222     -3.678782      0.688543
  H      -4.929703     -0.442725     -0.016298
  H      -5.923083      1.710514      0.649594
  H      -8.174129      1.826848      1.691273
  H     -10.124988      0.929852      2.714812
  H      -8.430036     -2.474545      1.495051
  H     -10.553319     -6.169662      2.029237
  H     -10.573586     -5.047032      3.400315
  H     -10.121415     -6.745805      3.654808
  H      -8.496343     -4.725953      1.967520
  H      -8.090065     -6.422222      2.186045
  H      -8.121629     -5.846341      4.772559
  H      -9.159991     -3.616766      4.249430
  H      -7.619373     -3.091070      3.579172
  H      -7.152650     -4.121168      6.216327
  H      -8.079763     -1.158981      4.217157
  H      -7.229347      1.075873      4.787325
  H      -5.982734      1.480373      6.901208
  H      -4.977408      0.894460      8.938385
  H      -6.436368     -2.705903      7.899301
  H      -0.650437     -3.868861      6.320470
  H      -1.274353     -3.723249      7.980203
  H      -0.405136     -2.375706      7.231057
  H      -2.765779     -1.791513      7.195258
  H      -2.250519     -2.084724      5.537145
  H      -4.487943     -2.840161      6.072570
  H      -3.257893     -4.869577      8.006017
  H      -4.246935     -3.447030      8.367939
  H      -5.252765     -5.475022      6.482620
  H      -7.088000     -6.867839      6.978744
  H      -8.333239     -8.082659      8.744931
  H      -7.920687     -7.608298     11.143576
  H      -6.899531     -6.575228     12.974883
  H      -4.939300     -4.690163     10.029398
  N      -5.325580     -2.716804      3.732130
  H      -5.711657     -1.773957      3.899796
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.727152068366
  N      -3.794178     -4.271247      1.876572
  C      -3.334083     -5.508563      1.237367
  C      -2.805029     -6.438500      2.309193
  N      -3.789927     -6.492365      3.412292
  C      -4.920504     -7.396523      3.111067
  C      -6.131171     -6.944568      3.897421
  N      -6.340115     -5.493726      3.754981
  Mo     -4.738247     -4.329270      3.599984
  N      -3.569767     -4.454861      5.177893
  C      -2.567000     -5.521150      5.281034
  C      -3.149749     -6.802542      4.712298
  H      -2.281047     -5.686230      6.329644
  H      -1.646846     -5.234924      4.742741
  H      -3.926313     -7.180115      5.391455
  H      -2.387604     -7.591605      4.597013
  H      -7.013342     -7.492535      3.531041
  H      -6.030615     -7.209230      4.967404
  H      -5.138737     -7.320577      2.036827
  H      -4.657572     -8.444377      3.335695
  H      -2.534669     -5.295767      0.513500
  H      -4.154274     -5.986532      0.671674
  H      -1.872290     -6.024318      2.715140
  H      -2.595676     -7.448278      1.917356
  C      -1.975501     -1.357904      0.213980
  C      -2.251931     -2.833219      0.508625
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  C      -4.711762     -3.078374     -0.115613
  N      -6.085548     -2.883188      0.284462
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  C      -5.846571     -0.467824      0.632464
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  C      -8.460209     -0.396184      1.639150
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  C     -10.051109     -5.879650      2.971982
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  N      -7.637913     -3.384036      5.678581
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  C      -6.156611     -0.526568      7.477217
  S      -5.256930     -0.314019      8.989155
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  C      -1.120310     -3.192332      7.011815
  C      -2.423208     -2.584568      6.490087
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  N      -5.292889     -4.958072      7.369133
  C      -5.914508     -5.685032      8.385716
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  C      -5.638202     -5.445857      9.739841
  H      -0.946443     -1.218512     -0.143764
  H      -2.102803     -0.746697      1.119796
  H      -2.647426     -0.957497     -0.558366
  H      -1.534469     -3.194388      1.262657
  H      -2.082373     -3.430088     -0.403034
  H      -3.932110     -2.216315      1.697430
  H      -4.436716     -2.309213     -0.852489
  H      -4.639372     -4.041635     -0.640895
  H      -6.589819     -3.708750      0.589020
  H      -4.837126     -0.465153      0.224783
  H      -5.845239      1.655471      0.955708
  H      -8.163633      1.748635      1.836024
  H     -10.196784      0.828001      2.647454
  H      -8.466877     -2.528868      1.349232
  H     -10.578267     -6.141060      2.043681
  H     -10.586420     -5.035964      3.429094
  H     -10.130561     -6.736342      3.658128
  H      -8.522522     -4.697607      1.980979
  H      -8.110518     -6.396523      2.185568
  H      -8.126642     -5.836642      4.779011
  H      -9.180538     -3.613400      4.269314
  H      -7.646157     -3.076101      3.594217
  H      -7.149198     -4.092022      6.224972
  H      -8.165135     -1.169687      4.213632
  H      -7.343725      1.087429      4.732096
  H      -6.059882      1.542574      6.813336
  H      -5.004507      1.005846      8.836127
  H      -6.419259     -2.636722      7.882416
  H      -0.651798     -3.875676      6.291532
  H      -1.268540     -3.739472      7.953238
  H      -0.395623     -2.391903      7.214250
  H      -2.750688     -1.794906      7.186707
  H      -2.244487     -2.082663      5.525891
  H      -4.483394     -2.830516      6.058683
  H      -3.260370     -4.864232      7.994389
  H      -4.239149     -3.433314      8.356279
  H      -5.275965     -5.444188      6.473434
  H      -7.118142     -6.830534      6.991401
  H      -8.323719     -8.071208      8.768452
  H      -7.850294     -7.637799     11.165096
  H      -6.780140     -6.638411     12.986654
  H      -4.883308     -4.713307     10.025397
  N      -5.323936     -2.707659      3.714799
  H      -5.717556     -1.766853      3.878002
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.727696529129
  N      -3.796052     -4.267968      1.873169
  C      -3.339692     -5.506935      1.233562
  C      -2.819491     -6.441582      2.305860
  N      -3.807855     -6.490058      3.406787
  C      -4.942592     -7.387967      3.103590
  C      -6.151818     -6.930472      3.889493
  N      -6.352021     -5.478599      3.747920
  Mo     -4.744520     -4.321415      3.593335
  N      -3.577738     -4.450928      5.171360
  C      -2.582316     -5.524202      5.276022
  C      -3.172384     -6.802465      4.708671
  H      -2.298377     -5.690122      6.324975
  H      -1.659814     -5.244647      4.738184
  H      -3.952660     -7.173745      5.387132
  H      -2.414590     -7.596142      4.595723
  H      -7.036843     -7.473369      3.521599
  H      -6.053391     -7.196414      4.959639
  H      -5.159309     -7.309138      2.029168
  H      -4.685640     -8.437610      3.326583
  H      -2.537611     -5.296782      0.511962
  H      -4.160556     -5.979981      0.664955
  H      -1.885056     -6.033743      2.714319
  H      -2.615539     -7.452369      1.913857
  C      -1.940951     -1.353736      0.257465
  C      -2.230254     -2.828351      0.540600
  C      -3.669897     -3.052382      1.040650
  C      -4.677820     -3.069049     -0.133854
  N      -6.060282     -2.903135      0.244422
  C      -6.580778     -1.711500      0.716666
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  C      -6.450642      0.675272      1.143218
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  S     -10.164504     -0.597279      2.208375
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  C     -10.065871     -5.846747      2.958725
  C      -8.599873     -5.521650      2.677436
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  C      -8.092280     -3.719938      4.333953
  N      -7.647915     -3.358173      5.665126
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  C      -6.139808     -0.517134      7.467381
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  N      -5.294905     -4.941982      7.364100
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  C      -6.313890     -6.135470     10.736122
  S      -5.886060     -5.760440     12.410366
  C      -5.624197     -5.435269      9.734266
  H      -0.903304     -1.217551     -0.076388
  H      -2.086507     -0.745233      1.162213
  H      -2.592808     -0.947918     -0.529725
  H      -1.531220     -3.194514      1.309353
  H      -2.041574     -3.421934     -0.369318
  H      -3.933557     -2.212332      1.694707
  H      -4.400194     -2.278104     -0.847456
  H      -4.581923     -4.018996     -0.680207
  H      -6.569556     -3.743483      0.497266
  H      -4.833009     -0.474232      0.316181
  H      -5.874497      1.602144      1.117498
  H      -8.211393      1.637474      1.953988
  H     -10.250092      0.668996      2.676531
  H      -8.474950     -2.611997      1.250291
  H     -10.592638     -6.106188      2.030434
  H     -10.595763     -4.997468      3.412626
  H     -10.153382     -6.701492      3.646229
  H      -8.523297     -4.682533      1.966609
  H      -8.125717     -6.382651      2.183400
  H      -8.142033     -5.807747      4.769685
  H      -9.182983     -3.577685      4.244614
  H      -7.637637     -3.054670      3.581249
  H      -7.176792     -4.070938      6.220749
  H      -8.154887     -1.133632      4.201621
  H      -7.311009      1.113957      4.726179
  H      -6.020106      1.552148      6.806325
  H      -4.971054      1.001785      8.827644
  H      -6.422569     -2.625437      7.868574
  H      -0.652904     -3.876296      6.277597
  H      -1.268394     -3.734464      7.939513
  H      -0.391560     -2.390345      7.196235
  H      -2.744773     -1.785442      7.167267
  H      -2.242209     -2.081992      5.506864
  H      -4.483519     -2.820261      6.047541
  H      -3.262671     -4.849727      7.987223
  H      -4.237739     -3.415519      8.345421
  H      -5.284961     -5.423908      6.466548
  H      -7.126468     -6.811455      6.993534
  H      -8.319909     -8.056228      8.777797
  H      -7.825917     -7.630175     11.170989
  H      -6.743149     -6.634303     12.986284
  H      -4.866446     -4.703379     10.014378
  N      -5.322801     -2.698267      3.710480
  H      -5.719037     -1.759156      3.877567
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.728098803266
  N      -3.804621     -4.267461      1.867593
  C      -3.356282     -5.508587      1.226270
  C      -2.840138     -6.446050      2.298922
  N      -3.827260     -6.488206      3.401392
  C      -4.964870     -7.384064      3.102052
  C      -6.171685     -6.923093      3.889570
  N      -6.370422     -5.471340      3.743521
  Mo     -4.760948     -4.316741      3.582373
  N      -3.593807     -4.445251      5.160663
  C      -2.599690     -5.519175      5.267061
  C      -3.191975     -6.797958      4.703585
  H      -2.315218     -5.682460      6.316345
  H      -1.676775     -5.243114      4.728013
  H      -3.972717     -7.165976      5.383232
  H      -2.435404     -7.593088      4.592474
  H      -7.057518     -7.467199      3.525464
  H      -6.072392     -7.185987      4.960542
  H      -5.182987     -7.305955      2.027794
  H      -4.710465     -8.434292      3.325684
  H      -2.552350     -5.303438      0.505050
  H      -4.180392     -5.975758      0.657645
  H      -1.902632     -6.042484      2.704492
  H      -2.642415     -7.458502      1.908009
  C      -1.890681     -1.354631      0.322512
  C      -2.201309     -2.829037      0.580945
  C      -3.652685     -3.047050      1.046685
  C      -4.635657     -3.044084     -0.147556
  N      -6.026387     -2.902263      0.208111
  C      -6.569991     -1.734772      0.709893
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  C      -7.905791     -1.735970      1.158952
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  C      -8.103919     -3.704498      4.319416
  N      -7.657944     -3.339102      5.649376
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  C      -7.544737     -0.968282      5.078185
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  C      -6.132069     -0.508921      7.452481
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  C      -1.122715     -3.182835      6.960770
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  C      -3.659422     -3.479031      6.283711
  C      -4.067905     -4.185201      7.583521
  N      -5.299799     -4.924169      7.365773
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  C      -7.256327     -7.083269     10.409179
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  S      -5.817968     -5.784176     12.413223
  C      -5.597289     -5.434587      9.736136
  H      -0.843825     -1.225810      0.015697
  H      -2.051969     -0.755590      1.230918
  H      -2.518017     -0.932485     -0.476330
  H      -1.523485     -3.209813      1.361694
  H      -1.996894     -3.413789     -0.331448
  H      -3.922862     -2.210356      1.702260
  H      -4.348906     -2.228684     -0.830020
  H      -4.519585     -3.976987     -0.718425
  H      -6.542961     -3.754249      0.396848
  H      -4.812239     -0.476036      0.436003
  H      -5.891225      1.557968      1.291177
  H      -8.254097      1.548165      2.049143
  H     -10.316073      0.552491      2.634931
  H      -8.480712     -2.662789      1.122777
  H     -10.618874     -6.090617      2.037340
  H     -10.612431     -4.964529      3.404933
  H     -10.188525     -6.670360      3.660958
  H      -8.534779     -4.693376      1.955920
  H      -8.156828     -6.393687      2.198140
  H      -8.158627     -5.789436      4.772215
  H      -9.193520     -3.555680      4.227707
  H      -7.643438     -3.046175      3.564068
  H      -7.203119     -4.056404      6.211935
  H      -8.137618     -1.112114      4.176069
  H      -7.274750      1.128437      4.703004
  H      -5.988134      1.557649      6.787809
  H      -4.958182      1.002468      8.816362
  H      -6.434375     -2.613834      7.854674
  H      -0.664880     -3.872144      6.239078
  H      -1.265069     -3.725363      7.906370
  H      -0.391644     -2.385265      7.152919
  H      -2.743655     -1.774023      7.141218
  H      -2.255606     -2.077878      5.477307
  H      -4.493134     -2.809708      6.038206
  H      -3.262843     -4.834806      7.976890
  H      -4.232680     -3.397597      8.335488
  H      -5.304393     -5.397031      6.463466
  H      -7.148018     -6.780003      7.006475
  H      -8.316659     -8.037352      8.797445
  H      -7.783479     -7.635561     11.187291
  H      -6.669813     -6.659516     12.994295
  H      -4.832637     -4.708099     10.011465
  N      -5.336338     -2.692736      3.699864
  H      -5.735987     -1.755865      3.871570
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.728418379815
  N      -3.801385     -4.265522      1.866520
  C      -3.361492     -5.507918      1.222941
  C      -2.854723     -6.451484      2.295144
  N      -3.842446     -6.486499      3.397738
  C      -4.987706     -7.373181      3.099387
  C      -6.189730     -6.903503      3.889128
  N      -6.380286     -5.450615      3.741047
  Mo     -4.761932     -4.308464      3.578256
  N      -3.596742     -4.447360      5.157496
  C      -2.608315     -5.526404      5.262755
  C      -3.208525     -6.801470      4.699316
  H      -2.323943     -5.691332      6.311868
  H      -1.684092     -5.256003      4.723167
  H      -3.990901     -7.165111      5.379363
  H      -2.456809     -7.601051      4.587036
  H      -7.079333     -7.443837      3.528468
  H      -6.090431     -7.164646      4.960555
  H      -5.206701     -7.292582      2.025427
  H      -4.741177     -8.425570      3.321881
  H      -2.553917     -5.307040      0.503904
  H      -4.188425     -5.966872      0.651585
  H      -1.913928     -6.055841      2.700743
  H      -2.665432     -7.465280      1.903609
  C      -1.855405     -1.353908      0.362676
  C      -2.171481     -2.828905      0.612958
  C      -3.630874     -3.043843      1.052873
  C      -4.593275     -3.032022     -0.158439
  N      -5.992337     -2.917887      0.176685
  C      -6.567343     -1.770588      0.688437
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  S     -10.239931     -0.846442      2.092869
  C      -7.910712     -1.808125      1.112125
  C     -10.103877     -5.767278      2.954466
  C      -8.629284     -5.481877      2.675300
  C      -7.817289     -5.116589      3.936089
  C      -8.105198     -3.673445      4.319745
  N      -7.655171     -3.313512      5.650235
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  C      -7.545455     -0.937624      5.098086
  C      -7.070759      0.335248      5.423878
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  C      -2.417701     -2.576976      6.434414
  C      -3.653204     -3.480812      6.280432
  C      -4.056991     -4.185705      7.582190
  N      -5.292950     -4.918895      7.369896
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  C      -7.552658     -7.290612      9.066658
  C      -7.244243     -7.081856     10.412909
  C      -6.251591     -6.150843     10.744582
  S      -5.779645     -5.808421     12.414273
  C      -5.576577     -5.442667      9.738552
  H      -0.803236     -1.225561      0.074641
  H      -2.031856     -0.756383      1.269117
  H      -2.468008     -0.929791     -0.446040
  H      -1.508319     -3.212092      1.404857
  H      -1.952367     -3.412286     -0.296940
  H      -3.908051     -2.209334      1.707516
  H      -4.304745     -2.198995     -0.818966
  H      -4.453885     -3.951904     -0.744600
  H      -6.502498     -3.781339      0.325035
  H      -4.833535     -0.467797      0.462098
  H      -5.974322      1.528023      1.328472
  H      -8.347525      1.450924      2.050872
  H     -10.393678      0.405366      2.582209
  H      -8.462086     -2.747210      1.048465
  H     -10.631210     -6.027528      2.026569
  H     -10.617048     -4.899304      3.391879
  H     -10.216140     -6.610558      3.653009
  H      -8.529026     -4.658449      1.950269
  H      -8.175496     -6.362741      2.197259
  H      -8.170938     -5.759871      4.767167
  H      -9.193747     -3.519410      4.230491
  H      -7.643309     -3.014147      3.565420
  H      -7.207956     -4.035855      6.211198
  H      -8.143322     -1.073800      4.197912
  H      -7.274261      1.161048      4.739647
  H      -5.976767      1.571869      6.821974
  H      -4.943282      0.999323      8.844414
  H      -6.422343     -2.607737      7.854914
  H      -0.661246     -3.885011      6.215920
  H      -1.249494     -3.733628      7.887627
  H      -0.376238     -2.397614      7.125319
  H      -2.726642     -1.777039      7.128235
  H      -2.250432     -2.087011      5.461421
  H      -4.486476     -2.808862      6.040569
  H      -3.252551     -4.838183      7.971834
  H      -4.214724     -3.397762      8.335518
  H      -5.310446     -5.382971      6.463544
  H      -7.160703     -6.754879      7.012151
  H      -8.325501     -8.014812      8.802796
  H      -7.769665     -7.635192     11.191105
  H      -6.636867     -6.678138     12.996685
  H      -4.804342     -4.723939     10.012969
  N      -5.324832     -2.680060      3.699727
  H      -5.718032     -1.741316      3.877149
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.728600353564
  N      -3.804779     -4.262848      1.858777
  C      -3.370115     -5.503129      1.207247
  C      -2.869941     -6.456903      2.274277
  N      -3.855693     -6.490643      3.379067
  C      -5.006310     -7.370840      3.081079
  C      -6.201899     -6.899615      3.879789
  N      -6.390109     -5.446130      3.733169
  Mo     -4.767439     -4.310109      3.569081
  N      -3.605166     -4.461431      5.147767
  C      -2.617784     -5.542074      5.246960
  C      -3.220323     -6.813104      4.678061
  H      -2.332564     -5.712932      6.294833
  H      -1.693524     -5.270256      4.708106
  H      -4.001762     -7.179688      5.357544
  H      -2.469408     -7.612557      4.559672
  H      -7.094755     -7.439041      3.525975
  H      -6.095071     -7.161821      4.950303
  H      -5.230098     -7.282336      2.008685
  H      -4.764092     -8.425838      3.295769
  H      -2.558470     -5.302534      0.492628
  H      -4.198327     -5.951860      0.629869
  H      -1.925039     -6.070135      2.678987
  H      -2.688985     -7.470497      1.878293
  C      -1.820959     -1.343624      0.411688
  C      -2.145371     -2.817248      0.656376
  C      -3.613865     -3.032942      1.061885
  C      -4.551014     -2.997643     -0.168222
  N      -5.957692     -2.901643      0.137835
  C      -6.559896     -1.780905      0.675339
  C      -5.881829     -0.554424      0.835916
  C      -6.560878      0.548767      1.355089
  C      -7.899922      0.478602      1.734928
  C      -8.576459     -0.741843      1.582027
  S     -10.268513     -0.965086      2.055367
  C      -7.914852     -1.852571      1.056919
  C     -10.123505     -5.732777      2.953082
  C      -8.642759     -5.479739      2.675513
  C      -7.826722     -5.109380      3.931114
  C      -8.111705     -3.664077      4.311485
  N      -7.659314     -3.304585      5.641527
  C      -7.279396     -2.018559      5.954196
  C      -7.537227     -0.928361      5.091002
  C      -7.053236      0.340833      5.420063
  C      -6.324019      0.570990      6.584050
  C      -6.105177     -0.504859      7.463490
  S      -5.200350     -0.330364      8.977043
  C      -6.587911     -1.777406      7.160053
  C      -1.112543     -3.188053      6.919986
  C      -2.420664     -2.582276      6.407385
  C      -3.654767     -3.491084      6.267892
  C      -4.047605     -4.191511      7.574840
  N      -5.284600     -4.924913      7.373056
  C      -5.889864     -5.646144      8.399444
  C      -6.893338     -6.584866      8.081279
  C      -7.551395     -7.270117      9.096520
  C      -7.240404     -7.048128     10.440223
  C      -6.243828     -6.117207     10.760175
  S      -5.768229     -5.757802     12.425608
  C      -5.567533     -5.422182      9.745696
  H      -0.761671     -1.218177      0.148985
  H      -2.019851     -0.741961      1.310805
  H      -2.412668     -0.923311     -0.414771
  H      -1.504221     -3.202070      1.465392
  H      -1.904366     -3.399663     -0.248695
  H      -3.898966     -2.204761      1.721130
  H      -4.252164     -2.143826     -0.798059
  H      -4.397957     -3.899769     -0.778046
  H      -6.474976     -3.769487      0.221826
  H      -4.836953     -0.450111      0.548363
  H      -6.024947      1.493381      1.467588
  H      -8.411109      1.352709      2.137882
  H     -10.449858      0.273354      2.568262
  H      -8.454039     -2.793155      0.928183
  H     -10.649503     -6.009265      2.029340
  H     -10.625677     -4.845280      3.363190
  H     -10.253669     -6.555518      3.672728
  H      -8.521747     -4.670854      1.938233
  H      -8.204751     -6.377278      2.213937
  H      -8.177131     -5.748613      4.766390
  H      -9.199126     -3.505480      4.221508
  H      -7.646838     -3.006013      3.557883
  H      -7.227475     -4.031551      6.208923
  H      -8.136425     -1.057224      4.190643
  H      -7.250985      1.171239      4.739551
  H      -5.945289      1.566657      6.816345
  H      -4.914729      0.984535      8.837097
  H      -6.419216     -2.611184      7.843192
  H      -0.663894     -3.891946      6.206698
  H      -1.246469     -3.712426      7.877423
  H      -0.376921     -2.389232      7.089968
  H      -2.729060     -1.772072      7.089316
  H      -2.255458     -2.107196      5.426777
  H      -4.492390     -2.822576      6.032687
  H      -3.239961     -4.842647      7.959581
  H      -4.199260     -3.401506      8.327429
  H      -5.312433     -5.390553      6.467901
  H      -7.159370     -6.758582      7.035816
  H      -8.327468     -7.994228      8.841463
  H      -7.766740     -7.591008     11.225274
  H      -6.631230     -6.614269     13.018712
  H      -4.793129     -4.702739     10.012022
  N      -5.318469     -2.678370      3.700296
  H      -5.703944     -1.738584      3.886265
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.728690065939
  N      -3.820717     -4.265363      1.863523
  C      -3.396858     -5.511790      1.217375
  C      -2.895425     -6.459532      2.288911
  N      -3.877385     -6.482135      3.396584
  C      -5.028698     -7.363925      3.107720
  C      -6.223779     -6.885372      3.902016
  N      -6.408706     -5.433080      3.745750
  Mo     -4.786068     -4.298950      3.571878
  N      -3.619833     -4.437130      5.150005
  C      -2.633065     -5.517727      5.253737
  C      -3.238475     -6.793798      4.697003
  H      -2.343527     -5.679677      6.301911
  H      -1.711081     -5.250995      4.708408
  H      -4.018424     -7.153255      5.381937
  H      -2.488808     -7.594974      4.583830
  H      -7.117135     -7.424519      3.549389
  H      -6.119348     -7.140504      4.974122
  H      -5.254021     -7.284505      2.034872
  H      -4.786352     -8.417125      3.331099
  H      -2.588977     -5.318094      0.496906
  H      -4.230359     -5.961274      0.648187
  H      -1.948517     -6.072694      2.688794
  H      -2.719005     -7.476224      1.899050
  C      -1.791081     -1.373920      0.430520
  C      -2.129927     -2.845536      0.672264
  C      -3.606683     -3.041716      1.061993
  C      -4.525932     -3.003277     -0.180223
  N      -5.936347     -2.919367      0.107621
  C      -6.550535     -1.800977      0.635489
  C      -5.881896     -0.569906      0.801116
  C      -6.572088      0.529697      1.313112
  C      -7.912837      0.450554      1.685283
  C      -8.579624     -0.775629      1.529901
  S     -10.271674     -1.013285      2.000514
  C      -7.907056     -1.880137      1.006873
  C     -10.135862     -5.692670      2.927710
  C      -8.649606     -5.457118      2.667559
  C      -7.843845     -5.087879      3.931311
  C      -8.115874     -3.639546      4.303244
  N      -7.667411     -3.286346      5.635709
  C      -7.279469     -2.007147      5.962893
  C      -7.504683     -0.908944      5.101629
  C      -7.018232      0.353441      5.451962
  C      -6.316484      0.569351      6.634715
  C      -6.125146     -0.515350      7.509636
  S      -5.253774     -0.361021      9.044878
  C      -6.611087     -1.781126      7.185145
  C      -1.123857     -3.160946      6.902831
  C      -2.435100     -2.553069      6.402914
  C      -3.668322     -3.463065      6.267438
  C      -4.057161     -4.159888      7.578395
  N      -5.294158     -4.894773      7.383324
  C      -5.877746     -5.640546      8.405095
  C      -6.891789     -6.567448      8.085747
  C      -7.524666     -7.281227      9.097258
  C      -7.179294     -7.098872     10.438732
  C      -6.172207     -6.179875     10.760364
  S      -5.653672     -5.870781     12.423499
  C      -5.519480     -5.457352      9.749473
  H      -0.729626     -1.255913      0.172608
  H      -1.988920     -0.772699      1.330568
  H      -2.378078     -0.947165     -0.395229
  H      -1.500894     -3.235634      1.487858
  H      -1.884653     -3.431916     -0.229216
  H      -3.891266     -2.205358      1.711651
  H      -4.227500     -2.141643     -0.798402
  H      -4.352508     -3.898018     -0.795700
  H      -6.448438     -3.790583      0.180552
  H      -4.836289     -0.457889      0.519061
  H      -6.043829      1.477886      1.427733
  H      -8.431820      1.320562      2.087511
  H     -10.471499      0.233291      2.486289
  H      -8.437216     -2.824357      0.872374
  H     -10.653777     -5.962859      1.996856
  H     -10.632282     -4.799545      3.331232
  H     -10.284048     -6.513118      3.645462
  H      -8.510869     -4.653530      1.926931
  H      -8.216256     -6.362926      2.217143
  H      -8.205868     -5.721868      4.766433
  H      -9.201124     -3.469036      4.206734
  H      -7.640071     -2.989595      3.549093
  H      -7.254394     -4.019847      6.208330
  H      -8.080452     -1.027193      4.185178
  H      -7.195270      1.188970      4.771488
  H      -5.938876      1.560302      6.884800
  H      -4.951279      0.951332      8.920310
  H      -6.465816     -2.621483      7.866356
  H      -0.678580     -3.858785      6.181610
  H      -1.252849     -3.692991      7.855435
  H      -0.388538     -2.363004      7.075248
  H      -2.739108     -1.747217      7.091453
  H      -2.277833     -2.072416      5.424296
  H      -4.507954     -2.797370      6.031666
  H      -3.247955     -4.810183      7.962980
  H      -4.206839     -3.368006      8.329917
  H      -5.338720     -5.338014      6.466906
  H      -7.185318     -6.709457      7.042677
  H      -8.309351     -7.995643      8.841216
  H      -7.687367     -7.663185     11.221247
  H      -6.499853     -6.745771     13.013115
  H      -4.734319     -4.749589     10.016641
  N      -5.345491     -2.669173      3.692398
  H      -5.739334     -1.731084      3.871500
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.728776945240
  N      -3.817495     -4.267121      1.856483
  C      -3.396107     -5.514565      1.210091
  C      -2.899785     -6.465073      2.281771
  N      -3.883022     -6.484366      3.388732
  C      -5.037224     -7.362803      3.099535
  C      -6.230778     -6.879572      3.893687
  N      -6.412915     -5.427303      3.732433
  Mo     -4.786072     -4.298749      3.563383
  N      -3.625875     -4.442632      5.144690
  C      -2.639548     -5.523592      5.247771
  C      -3.245921     -6.798136      4.689441
  H      -2.350661     -5.687219      6.295866
  H      -1.717080     -5.256539      4.703332
  H      -4.026925     -7.157370      5.373282
  H      -2.497068     -7.600054      4.575888
  H      -7.125854     -7.418368      3.544655
  H      -6.124822     -7.131251      4.966595
  H      -5.261914     -7.282570      2.026626
  H      -4.798461     -8.416770      3.323093
  H      -2.585689     -5.323554      0.491598
  H      -4.229982     -5.960462      0.638674
  H      -1.951433     -6.082295      2.682183
  H      -2.727250     -7.482488      1.891943
  C      -1.777789     -1.376708      0.429542
  C      -2.118544     -2.846752      0.677162
  C      -3.597312     -3.042571      1.059356
  C      -4.511559     -2.997794     -0.186705
  N      -5.924117     -2.920055      0.094544
  C      -6.544581     -1.813470      0.639208
  C      -5.878341     -0.585279      0.832507
  C      -6.572160      0.502021      1.365770
  C      -7.914397      0.413101      1.729983
  C      -8.580455     -0.809104      1.542164
  S     -10.276394     -1.054408      1.992961
  C      -7.904455     -1.901765      0.998357
  C     -10.139524     -5.661034      2.887524
  C      -8.647662     -5.444952      2.642576
  C      -7.848954     -5.080499      3.911827
  C      -8.122215     -3.633535      4.289972
  N      -7.673460     -3.287649      5.624393
  C      -7.288553     -2.009933      5.961942
  C      -7.517585     -0.904453      5.110837
  C      -7.036535      0.356790      5.474010
  C      -6.336617      0.564112      6.659479
  C      -6.141141     -0.528423      7.523972
  S      -5.271374     -0.385208      9.061203
  C      -6.621683     -1.792938      7.186764
  C      -1.125558     -3.159057      6.887235
  C      -2.438066     -2.554539      6.386054
  C      -3.670905     -3.466069      6.260026
  C      -4.050192     -4.161069      7.574326
  N      -5.287846     -4.896849      7.389572
  C      -5.869046     -5.633051      8.418532
  C      -6.887457     -6.559212      8.110584
  C      -7.518183     -7.263329      9.130097
  C      -7.166605     -7.071895     10.468674
  C      -6.155394     -6.153687     10.778736
  S      -5.627939     -5.833829     12.437017
  C      -5.504625     -5.440954      9.759728
  H      -0.715097     -1.260884      0.176694
  H      -1.980291     -0.769545      1.324301
  H      -2.359988     -0.955441     -0.402555
  H      -1.495078     -3.233655      1.498670
  H      -1.868372     -3.437049     -0.220233
  H      -3.882235     -2.207957      1.711162
  H      -4.212129     -2.130607     -0.797201
  H      -4.335264     -3.887389     -0.808780
  H      -6.437985     -3.791836      0.143897
  H      -4.831233     -0.466671      0.557810
  H      -6.045670      1.448515      1.502647
  H      -8.436541      1.273735      2.148188
  H     -10.483130      0.186626      2.489777
  H      -8.434953     -2.842154      0.835130
  H     -10.648428     -5.939352      1.954264
  H     -10.632026     -4.757037      3.271532
  H     -10.305539     -6.469817      3.614794
  H      -8.490353     -4.646552      1.900499
  H      -8.220979     -6.357987      2.200469
  H      -8.215195     -5.717410      4.742783
  H      -9.207388     -3.462346      4.193872
  H      -7.646578     -2.979546      3.539756
  H      -7.264113     -4.024975      6.193670
  H      -8.093310     -1.015032      4.193029
  H      -7.215864      1.199343      4.802794
  H      -5.963720      1.554583      6.919741
  H      -4.975310      0.929881      8.950111
  H      -6.472761     -2.639483      7.859423
  H      -0.684187     -3.865232      6.171517
  H      -1.251071     -3.680745      7.846655
  H      -0.388209     -2.360509      7.047952
  H      -2.740638     -1.743440      7.069270
  H      -2.282820     -2.081390      5.403110
  H      -4.513099     -2.802393      6.027809
  H      -3.237732     -4.810470      7.953164
  H      -4.194415     -3.368203      8.325826
  H      -5.339377     -5.344391      6.476026
  H      -7.185460     -6.708542      7.069797
  H      -8.305883     -7.977393      8.882813
  H      -7.672813     -7.628674     11.257429
  H      -6.476741     -6.699153     13.037384
  H      -4.715798     -4.734398     10.018878
  N      -5.334921     -2.664808      3.682970
  H      -5.719694     -1.723376      3.862717
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.728830598103
  N      -3.823451     -4.272726      1.850090
  C      -3.403851     -5.521109      1.204095
  C      -2.906675     -6.471262      2.275984
  N      -3.888352     -6.488575      3.384512
  C      -5.043120     -7.367262      3.097584
  C      -6.235626     -6.882468      3.892360
  N      -6.418621     -5.430661      3.727189
  Mo     -4.791469     -4.302977      3.557808
  N      -3.633787     -4.446662      5.140024
  C      -2.645018     -5.525425      5.242605
  C      -3.249828     -6.800924      4.684940
  H      -2.354893     -5.688722      6.290400
  H      -1.723600     -5.256443      4.697239
  H      -4.029756     -7.161258      5.369397
  H      -2.499803     -7.601674      4.570959
  H      -7.131298     -7.422436      3.546679
  H      -6.126796     -7.131266      4.965794
  H      -5.268993     -7.287745      2.024901
  H      -4.804288     -8.421023      3.321859
  H      -2.593990     -5.331552      0.484716
  H      -4.238556     -5.966729      0.633854
  H      -1.957087     -6.089341      2.674399
  H      -2.736119     -7.489275      1.886815
  C      -1.769835     -1.383470      0.435791
  C      -2.114423     -2.852349      0.685882
  C      -3.596278     -3.047008      1.057561
  C      -4.502728     -2.998418     -0.194371
  N      -5.916626     -2.913263      0.079140
  C      -6.534015     -1.805194      0.623959
  C      -5.862908     -0.579397      0.815850
  C      -6.550137      0.508433      1.356004
  C      -7.890489      0.422715      1.727267
  C      -8.563412     -0.795093      1.535122
  S     -10.259317     -1.033122      1.988469
  C      -7.894339     -1.888786      0.984402
  C     -10.148428     -5.639536      2.869968
  C      -8.651370     -5.446501      2.635267
  C      -7.855038     -5.083964      3.906008
  C      -8.127680     -3.637838      4.289109
  N      -7.677589     -3.297030      5.624540
  C      -7.297988     -2.019690      5.970660
  C      -7.528861     -0.909816      5.126001
  C      -7.056286      0.351868      5.499351
  C      -6.362500      0.555246      6.689237
  C      -6.164603     -0.542167      7.547002
  S      -5.302366     -0.404258      9.088819
  C      -6.636851     -1.807175      7.199421
  C      -1.136432     -3.141925      6.875543
  C      -2.452666     -2.547812      6.370787
  C      -3.680590     -3.467349      6.252881
  C      -4.049372     -4.161487      7.569880
  N      -5.280703     -4.909072      7.391453
  C      -5.855873     -5.640144      8.426633
  C      -6.863252     -6.581560      8.128157
  C      -7.487413     -7.280956      9.155179
  C      -7.140037     -7.069801     10.491852
  C      -6.139913     -6.136212     10.792156
  S      -5.618701     -5.790200     12.447014
  C      -5.496053     -5.427951      9.765732
  H      -0.705480     -1.269967      0.189133
  H      -1.977039     -0.773050      1.327184
  H      -2.346759     -0.964284     -0.401270
  H      -1.498038     -3.237177      1.513737
  H      -1.857780     -3.446100     -0.207277
  H      -3.883178     -2.213790      1.710125
  H      -4.195420     -2.134540     -0.805591
  H      -4.328322     -3.889917     -0.814479
  H      -6.435575     -3.782939      0.125729
  H      -4.816678     -0.464367      0.536359
  H      -6.019470      1.452531      1.493597
  H      -8.406815      1.283324      2.152584
  H     -10.459128      0.207766      2.487911
  H      -8.431868     -2.824632      0.813794
  H     -10.651046     -5.930278      1.937457
  H     -10.634390     -4.722437      3.231019
  H     -10.331826     -6.432221      3.610822
  H      -8.476369     -4.656454      1.888810
  H      -8.234809     -6.369143      2.203786
  H      -8.221756     -5.722164      4.735191
  H      -9.212788     -3.465762      4.194740
  H      -7.652662     -2.981608      3.540971
  H      -7.271018     -4.037264      6.191940
  H      -8.100157     -1.016724      4.204711
  H      -7.238132      1.198589      4.834403
  H      -5.997386      1.546731      6.958619
  H      -5.008902      0.912262      8.985446
  H      -6.484873     -2.657316      7.866517
  H      -0.695215     -3.855914      6.167463
  H      -1.257051     -3.651884      7.842191
  H      -0.400808     -2.338878      7.023890
  H      -2.758430     -1.732795      7.047973
  H      -2.300693     -2.081384      5.384006
  H      -4.528380     -2.810327      6.022330
  H      -3.230038     -4.802619      7.947245
  H      -4.197519     -3.367840      8.319597
  H      -5.330839     -5.363126      6.481526
  H      -7.157126     -6.747437      7.088635
  H      -8.266248     -8.007284      8.915247
  H      -7.640984     -7.623016     11.286314
  H      -6.455928     -6.660748     13.056005
  H      -4.716387     -4.708850     10.017628
  N      -5.335837     -2.667096      3.673804
  H      -5.712302     -1.722135      3.849492
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.728884450235
  N      -3.831101     -4.271290      1.847823
  C      -3.412875     -5.520722      1.202818
  C      -2.914159     -6.469838      2.274690
  N      -3.895374     -6.486239      3.383400
  C      -5.049301     -7.366210      3.096787
  C      -6.242191     -6.880038      3.889908
  N      -6.426287     -5.429016      3.719609
  Mo     -4.799569     -4.300712      3.556122
  N      -3.646008     -4.444984      5.140673
  C      -2.653833     -5.520951      5.241246
  C      -3.256216     -6.797569      4.683753
  H      -2.361297     -5.684423      6.288281
  H      -1.734357     -5.248773      4.694209
  H      -4.035275     -7.159538      5.368328
  H      -2.504643     -7.596767      4.569443
  H      -7.138061     -7.421031      3.546492
  H      -6.131504     -7.125247      4.963906
  H      -5.274751     -7.287970      2.023968
  H      -4.809754     -8.419399      3.322755
  H      -2.604479     -5.331903      0.481640
  H      -4.248490     -5.967361      0.634717
  H      -1.964206     -6.088066      2.672429
  H      -2.744398     -7.488156      1.885962
  C      -1.770360     -1.385232      0.433431
  C      -2.114518     -2.852679      0.692458
  C      -3.599189     -3.046794      1.055691
  C      -4.497870     -3.002013     -0.201204
  N      -5.913101     -2.918248      0.066928
  C      -6.529803     -1.811452      0.615501
  C      -5.855267     -0.587159      0.807375
  C      -6.536056      0.499712      1.357205
  C      -7.874462      0.415616      1.735067
  C      -8.553044     -0.798410      1.537290
  S     -10.249412     -1.030601      1.990978
  C      -7.889490     -1.892662      0.979905
  C     -10.150755     -5.597734      2.811278
  C      -8.645963     -5.436416      2.605553
  C      -7.864577     -5.084059      3.888192
  C      -8.139680     -3.642313      4.283013
  N      -7.689041     -3.313553      5.620336
  C      -7.307056     -2.040361      5.977151
  C      -7.522602     -0.926952      5.134076
  C      -7.042079      0.329730      5.512954
  C      -6.356470      0.524532      6.709049
  C      -6.176763     -0.575845      7.567101
  S      -5.327568     -0.448170      9.117107
  C      -6.656050     -1.836190      7.212784
  C      -1.150941     -3.117174      6.864341
  C      -2.472560     -2.534809      6.360356
  C      -3.693960     -3.464026      6.252257
  C      -4.047747     -4.158649      7.572755
  N      -5.273623     -4.916946      7.404573
  C      -5.841495     -5.643084      8.446471
  C      -6.846769     -6.590294      8.158916
  C      -7.465335     -7.283220      9.193541
  C      -7.114505     -7.060290     10.527454
  C      -6.116376     -6.121328     10.816912
  S      -5.591453     -5.759648     12.467375
  C      -5.478146     -5.419197      9.782853
  H      -0.705398     -1.271980      0.190174
  H      -1.981649     -0.768769      1.319636
  H      -2.345249     -0.972788     -0.408145
  H      -1.503710     -3.230554      1.527684
  H      -1.851078     -3.453619     -0.193832
  H      -3.889627     -2.212625      1.705407
  H      -4.190048     -2.140800     -0.815750
  H      -4.319013     -3.895432     -0.817175
  H      -6.431262     -3.787980      0.111664
  H      -4.810864     -0.474453      0.520828
  H      -6.002255      1.441893      1.496574
  H      -8.385501      1.275173      2.169221
  H     -10.443641      0.209353      2.494971
  H      -8.432344     -2.824656      0.804374
  H     -10.637393     -5.900811      1.873984
  H     -10.628483     -4.664723      3.140498
  H     -10.364737     -6.370446      3.564938
  H      -8.439606     -4.653648      1.858832
  H      -8.239825     -6.370096      2.187598
  H      -8.238550     -5.729504      4.708731
  H      -9.225066     -3.470192      4.190726
  H      -7.666002     -2.979668      3.540131
  H      -7.291869     -4.059848      6.185899
  H      -8.086521     -1.027559      4.207307
  H      -7.210174      1.179909      4.848804
  H      -5.985842      1.512063      6.983635
  H      -5.011071      0.862891      9.013081
  H      -6.515650     -2.689374      7.878741
  H      -0.711673     -3.839372      6.163373
  H      -1.263156     -3.613836      7.838870
  H      -0.417449     -2.309690      6.996484
  H      -2.781389     -1.717530      7.033380
  H      -2.326770     -2.073518      5.370156
  H      -4.549290     -2.815554      6.025618
  H      -3.220302     -4.792414      7.945134
  H      -4.196906     -3.364854      8.322057
  H      -5.328830     -5.373495      6.496297
  H      -7.143372     -6.765476      7.121701
  H      -8.242484     -8.013874      8.961965
  H      -7.611350     -7.608506     11.327842
  H      -6.422748     -6.628959     13.086227
  H      -4.700528     -4.695430     10.027268
  N      -5.341645     -2.663056      3.668960
  H      -5.708961     -1.714131      3.841389
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.728946785828
  N      -3.840515     -4.278980      1.847316
  C      -3.429952     -5.532062      1.204588
  C      -2.929178     -6.478343      2.278082
  N      -3.908828     -6.489236      3.388298
  C      -5.062456     -7.371042      3.106200
  C      -6.256434     -6.880664      3.895113
  N      -6.439261     -5.430403      3.717122
  Mo     -4.812588     -4.302611      3.553389
  N      -3.659947     -4.440041      5.139062
  C      -2.666382     -5.514733      5.241027
  C      -3.268559     -6.794236      4.689682
  H      -2.370568     -5.674180      6.287753
  H      -1.748925     -5.243764      4.690031
  H      -4.046969     -7.153374      5.376477
  H      -2.516605     -7.593483      4.578644
  H      -7.152061     -7.422024      3.552139
  H      -6.147177     -7.121168      4.970315
  H      -5.287480     -7.298313      2.032906
  H      -4.822438     -8.422874      3.337773
  H      -2.625706     -5.348246      0.477749
  H      -4.270192     -5.978741      0.643499
  H      -1.977800     -6.097027      2.672801
  H      -2.762379     -7.498160      1.892033
  C      -1.750742     -1.406348      0.449924
  C      -2.107236     -2.871567      0.703925
  C      -3.596028     -3.056080      1.056347
  C      -4.486194     -3.007515     -0.205566
  N      -5.903180     -2.920197      0.053336
  C      -6.518795     -1.815198      0.606328
  C      -5.838089     -0.597177      0.817777
  C      -6.515080      0.487471      1.376040
  C      -7.857126      0.408319      1.742034
  C      -8.542702     -0.797886      1.522037
  S     -10.244615     -1.022133      1.958538
  C      -7.882509     -1.890554      0.957013
  C     -10.157777     -5.541626      2.753963
  C      -8.644732     -5.427237      2.579961
  C      -7.878155     -5.081163      3.872899
  C      -8.149913     -3.639752      4.271255
  N      -7.696137     -3.317986      5.608331
  C      -7.320847     -2.046771      5.977741
  C      -7.531949     -0.927840      5.141129
  C      -7.059674      0.327757      5.533619
  C      -6.387056      0.516445      6.738042
  C      -6.211973     -0.589611      7.589403
  S      -5.382745     -0.469233      9.150838
  C      -6.682811     -1.849155      7.221340
  C      -1.162029     -3.089840      6.837458
  C      -2.490183     -2.516465      6.340601
  C      -3.706665     -3.453606      6.246375
  C      -4.046872     -4.142655      7.573065
  N      -5.266517     -4.912615      7.416658
  C      -5.818050     -5.644198      8.463074
  C      -6.820025     -6.597708      8.184607
  C      -7.422387     -7.296939      9.224431
  C      -7.058358     -7.074825     10.554908
  C      -6.062930     -6.130277     10.835686
  S      -5.522853     -5.768829     12.481259
  C      -5.440726     -5.421484      9.796543
  H      -0.684272     -1.300161      0.210110
  H      -1.959923     -0.791635      1.337965
  H      -2.320725     -0.986458     -0.391106
  H      -1.505536     -3.253993      1.543681
  H      -1.840497     -3.474174     -0.180301
  H      -3.885552     -2.219700      1.703514
  H      -4.172377     -2.147606     -0.818947
  H      -4.304863     -3.901128     -0.820515
  H      -6.423968     -3.788601      0.090203
  H      -4.791039     -0.488183      0.539993
  H      -5.975727      1.423936      1.531496
  H      -8.364801      1.265199      2.185247
  H     -10.437540      0.218247      2.462044
  H      -8.431823     -2.815023      0.763319
  H     -10.629814     -5.858002      1.813501
  H     -10.617377     -4.587433      3.045324
  H     -10.411121     -6.286999      3.522804
  H      -8.397983     -4.661009      1.828251
  H      -8.257879     -6.378618      2.184038
  H      -8.262598     -5.728025      4.687491
  H      -9.234803     -3.464226      4.181431
  H      -7.675353     -2.976478      3.529304
  H      -7.307935     -4.068592      6.173566
  H      -8.087243     -1.023651      4.208660
  H      -7.225867      1.181891      4.874273
  H      -6.025093      1.503641      7.025012
  H      -5.062733      0.841627      9.055524
  H      -6.545012     -2.706372      7.882776
  H      -0.729296     -3.820536      6.141293
  H      -1.262728     -3.573953      7.819315
  H      -0.428722     -2.279420      6.950963
  H      -2.797657     -1.697020      7.011490
  H      -2.354335     -2.059625      5.346995
  H      -4.568570     -2.813126      6.021795
  H      -3.211815     -4.766491      7.945402
  H      -4.199014     -3.345256      8.318053
  H      -5.331345     -5.364131      6.506657
  H      -7.127307     -6.772361      7.150396
  H      -8.197372     -8.032036      8.999775
  H      -7.543022     -7.628051     11.359380
  H      -6.338553     -6.648038     13.106709
  H      -4.664633     -4.693592     10.034334
  N      -5.354882     -2.664427      3.656945
  H      -5.716731     -1.712284      3.820164
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.729023815606
  N      -3.847396     -4.286083      1.850367
  C      -3.439728     -5.541670      1.211280
  C      -2.934921     -6.483618      2.286562
  N      -3.913074     -6.491720      3.398210
  C      -5.066091     -7.375860      3.120356
  C      -6.261580     -6.881892      3.905234
  N      -6.443036     -5.432453      3.720267
  Mo     -4.817715     -4.304471      3.557525
  N      -3.664552     -4.436040      5.143364
  C      -2.669689     -5.509544      5.246652
  C      -3.271183     -6.791432      4.700059
  H      -2.371374     -5.665839      6.293235
  H      -1.753774     -5.239229      4.692752
  H      -4.048621     -7.149002      5.388810
  H      -2.518525     -7.590315      4.591470
  H      -7.156995     -7.423281      3.562203
  H      -6.153660     -7.118318      4.981409
  H      -5.290557     -7.309140      2.046574
  H      -4.825209     -8.426107      3.357976
  H      -2.640013     -5.360746      0.478891
  H      -4.282893     -5.991500      0.657079
  H      -1.983310     -6.100349      2.678731
  H      -2.768118     -7.504429      1.903161
  C      -1.754251     -1.421327      0.443319
  C      -2.113088     -2.885411      0.699406
  C      -3.601557     -3.065534      1.055293
  C      -4.493628     -3.019252     -0.205007
  N      -5.910868     -2.926245      0.052917
  C      -6.524303     -1.820006      0.605983
  C      -5.842489     -0.602373      0.818575
  C      -6.518737      0.483116      1.375533
  C      -7.861763      0.405561      1.739897
  C      -8.547831     -0.799621      1.518821
  S     -10.250737     -1.022415      1.952520
  C      -7.888520     -1.892930      0.953905
  C     -10.147533     -5.468443      2.677256
  C      -8.626397     -5.415832      2.549197
  C      -7.882561     -5.077965      3.857052
  C      -8.151902     -3.637319      4.261195
  N      -7.697152     -3.323875      5.599344
  C      -7.323916     -2.056205      5.981306
  C      -7.526173     -0.931159      5.150610
  C      -7.054005      0.320638      5.554540
  C      -6.390919      0.500155      6.765721
  C      -6.226244     -0.611404      7.611430
  S      -5.414299     -0.501455      9.182848
  C      -6.696557     -1.867741      7.231784
  C      -1.167360     -3.068451      6.826105
  C      -2.499806     -2.502570      6.332534
  C      -3.711749     -3.446189      6.248071
  C      -4.041941     -4.132244      7.578526
  N      -5.254498     -4.913639      7.427913
  C      -5.799371     -5.647279      8.475643
  C      -6.793368     -6.609785      8.199420
  C      -7.390670     -7.311066      9.240715
  C      -7.028767     -7.083037     10.570710
  C      -6.040457     -6.130244     10.849603
  S      -5.504041     -5.761117     12.494627
  C      -5.423622     -5.418787      9.809205
  H      -0.689100     -1.317225      0.196502
  H      -1.956097     -0.807433      1.333783
  H      -2.329388     -0.998899     -0.392803
  H      -1.510638     -3.267702      1.538661
  H      -1.849083     -3.490501     -0.184008
  H      -3.887582     -2.226934      1.700941
  H      -4.177555     -2.164796     -0.824921
  H      -4.315589     -3.917533     -0.814031
  H      -6.432566     -3.793968      0.092810
  H      -4.795860     -0.494283      0.538981
  H      -5.978652      1.418989      1.531409
  H      -8.368453      1.262616      2.183688
  H     -10.445027      0.219103      2.452873
  H      -8.439344     -2.815731      0.759344
  H     -10.600087     -5.803895      1.733779
  H     -10.580209     -4.487948      2.916940
  H     -10.453512     -6.174140      3.464253
  H      -8.325586     -4.673547      1.793036
  H      -8.265349     -6.388875      2.182416
  H      -8.282506     -5.727236      4.662128
  H      -9.236241     -3.459348      4.172507
  H      -7.675683     -2.971011      3.522799
  H      -7.324467     -4.080582      6.166437
  H      -8.075566     -1.020711      4.214263
  H      -7.212716      1.179244      4.899195
  H      -6.029499      1.484658      7.062258
  H      -5.087177      0.808269      9.096538
  H      -6.564990     -2.729111      7.889028
  H      -0.741589     -3.810905      6.138182
  H      -1.258671     -3.536155      7.816565
  H      -0.432867     -2.256492      6.919261
  H      -2.807166     -1.680772      7.000502
  H      -2.370141     -2.050237      5.336165
  H      -4.579284     -2.812786      6.024935
  H      -3.200260     -4.746548      7.952118
  H      -4.199808     -3.332748      8.320180
  H      -5.324926     -5.360563      6.516192
  H      -7.098972     -6.789572      7.165598
  H      -8.159773     -8.052824      9.017554
  H      -7.509530     -7.638211     11.376310
  H      -6.309192     -6.649174     13.121160
  H      -4.653364     -4.684101     10.045604
  N      -5.361077     -2.666312      3.654264
  H      -5.713260     -1.709640      3.809160
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.729081747232
  N      -3.855546     -4.292006      1.855726
  C      -3.447986     -5.548601      1.218538
  C      -2.944474     -6.489706      2.295514
  N      -3.923669     -6.496770      3.406493
  C      -5.076298     -7.381600      3.129019
  C      -6.273700     -6.885867      3.910195
  N      -6.452286     -5.436701      3.723008
  Mo     -4.827841     -4.307934      3.561186
  N      -3.674725     -4.437143      5.147521
  C      -2.681323     -5.511649      5.254130
  C      -3.283723     -6.794158      4.709888
  H      -2.383459     -5.665540      6.301167
  H      -1.764712     -5.244594      4.699859
  H      -4.062422     -7.149479      5.398468
  H      -2.531678     -7.594117      4.604335
  H      -7.168668     -7.426358      3.564116
  H      -6.170258     -7.121714      4.986899
  H      -5.298428     -7.318252      2.054549
  H      -4.836016     -8.431170      3.370322
  H      -2.647956     -5.369510      0.485831
  H      -4.291536     -5.998520      0.664898
  H      -1.993204     -6.105900      2.687885
  H      -2.777095     -7.510878      1.913334
  C      -1.746843     -1.434965      0.463124
  C      -2.114589     -2.898608      0.707577
  C      -3.603756     -3.071940      1.060620
  C      -4.493451     -3.018670     -0.200847
  N      -5.911137     -2.921160      0.053637
  C      -6.522665     -1.814486      0.608380
  C      -5.838520     -0.599659      0.828884
  C      -6.515288      0.487077      1.382527
  C      -7.860696      0.412665      1.739212
  C      -8.547561     -0.790775      1.513932
  S     -10.251786     -1.011444      1.943831
  C      -7.888711     -1.884179      0.948743
  C     -10.137316     -5.421000      2.602466
  C      -8.612093     -5.408885      2.516849
  C      -7.892751     -5.079816      3.839554
  C      -8.165310     -3.641281      4.250146
  N      -7.711774     -3.332784      5.589711
  C      -7.337932     -2.067179      5.976412
  C      -7.535454     -0.938972      5.147838
  C      -7.059742      0.309964      5.555936
  C      -6.397356      0.484110      6.768474
  C      -6.238205     -0.629987      7.611588
  S      -5.426596     -0.526524      9.183843
  C      -6.712208     -1.883931      7.228311
  C      -1.174680     -3.046968      6.802996
  C      -2.514806     -2.490760      6.319859
  C      -3.721270     -3.442009      6.247732
  C      -4.041304     -4.121474      7.584063
  N      -5.249621     -4.910319      7.443458
  C      -5.782956     -5.645936      8.494530
  C      -6.774969     -6.613043      8.227072
  C      -7.358147     -7.318954      9.273437
  C      -6.983657     -7.091081     10.599991
  C      -5.997377     -6.133507     10.870049
  S      -5.445752     -5.764727     12.510335
  C      -5.394942     -5.417193      9.824504
  H      -0.681534     -1.335915      0.214239
  H      -1.942339     -0.828047      1.359837
  H      -2.320867     -1.000834     -0.367973
  H      -1.515245     -3.290557      1.544545
  H      -1.853319     -3.498578     -0.180188
  H      -3.886700     -2.232665      1.706573
  H      -4.171494     -2.162636     -0.815796
  H      -4.317823     -3.915268     -0.813002
  H      -6.434344     -3.788180      0.093241
  H      -4.789953     -0.493065      0.556039
  H      -5.973529      1.421131      1.543013
  H      -8.367605      1.270579      2.180708
  H     -10.444399      0.228255      2.449248
  H      -8.440293     -2.805997      0.751860
  H     -10.570997     -5.763339      1.652687
  H     -10.551605     -4.425568      2.811390
  H     -10.483703     -6.103914      3.392879
  H      -8.270899     -4.682126      1.763177
  H      -8.266304     -6.394254      2.168596
  H      -8.307389     -5.733744      4.633067
  H      -9.249637     -3.464857      4.160490
  H      -7.687723     -2.970245      3.516721
  H      -7.353920     -4.093538      6.161094
  H      -8.083962     -1.024621      4.210673
  H      -7.214529      1.169925      4.901299
  H      -6.030474      1.466083      7.066902
  H      -5.095632      0.782510      9.101020
  H      -6.583060     -2.747190      7.883612
  H      -0.754676     -3.794142      6.116849
  H      -1.251884     -3.505678      7.798806
  H      -0.442149     -2.231426      6.879745
  H      -2.821360     -1.668935      6.988187
  H      -2.396399     -2.040538      5.321225
  H      -4.593848     -2.814582      6.026108
  H      -3.194307     -4.727114      7.959909
  H      -4.201726     -3.316975      8.320322
  H      -5.330667     -5.351759      6.529883
  H      -7.090565     -6.793109      7.196273
  H      -8.125631     -8.064470      9.056854
  H      -7.453149     -7.649924     11.409788
  H      -6.239897     -6.658203     13.143157
  H      -4.625827     -4.678894     10.053537
  N      -5.372283     -2.670270      3.653463
  H      -5.719620     -1.710815      3.799534
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.729136695732
  N      -3.865284     -4.297753      1.860875
  C      -3.457143     -5.556009      1.227297
  C      -2.955303     -6.495001      2.307104
  N      -3.934564     -6.499563      3.418019
  C      -5.087055     -7.385571      3.143626
  C      -6.285257     -6.885979      3.921593
  N      -6.461500     -5.437638      3.728239
  Mo     -4.837835     -4.308731      3.566076
  N      -3.683634     -4.434893      5.152341
  C      -2.691136     -5.509505      5.262282
  C      -3.294914     -6.793098      4.722345
  H      -2.392922     -5.659762      6.309805
  H      -1.774254     -5.245458      4.706897
  H      -4.074091     -7.145446      5.411982
  H      -2.543639     -7.594202      4.619666
  H      -7.180310     -7.426857      3.575903
  H      -6.184271     -7.117718      4.999396
  H      -5.308032     -7.327978      2.068617
  H      -4.847123     -8.433906      3.390773
  H      -2.655785     -5.379680      0.495259
  H      -4.300384     -6.006532      0.673510
  H      -2.004180     -6.110166      2.698883
  H      -2.787337     -7.517054      1.927551
  C      -1.743647     -1.448065      0.476238
  C      -2.117834     -2.911548      0.712918
  C      -3.607663     -3.079291      1.065094
  C      -4.494495     -3.020231     -0.198635
  N      -5.912622     -2.919024      0.050434
  C      -6.522219     -1.812942      0.608439
  C      -5.835619     -0.600999      0.835607
  C      -6.511911      0.485633      1.390333
  C      -7.858530      0.412955      1.743127
  C      -8.547095     -0.788624      1.512924
  S     -10.253323     -1.007829      1.936493
  C      -7.888985     -1.881173      0.945578
  C     -10.121656     -5.371991      2.522840
  C      -8.594528     -5.399337      2.483141
  C      -7.902721     -5.079458      3.822117
  C      -8.181196     -3.644046      4.240002
  N      -7.726594     -3.339577      5.580291
  C      -7.351291     -2.075904      5.971972
  C      -7.548298     -0.943437      5.148390
  C      -7.071152      0.302977      5.562184
  C      -6.408911      0.471313      6.775800
  C      -6.250704     -0.646755      7.613656
  S      -5.436660     -0.551492      9.185405
  C      -6.725210     -1.898815      7.224344
  C      -1.177874     -3.034223      6.781196
  C      -2.523290     -2.481018      6.309810
  C      -3.727276     -3.435392      6.248566
  C      -4.036427     -4.111177      7.589281
  N      -5.241280     -4.906098      7.457991
  C      -5.764761     -5.644652      8.510605
  C      -6.757566     -6.612799      8.249406
  C      -7.330423     -7.322432      9.299069
  C      -6.944337     -7.097586     10.622932
  C      -5.957423     -6.138845     10.886522
  S      -5.391338     -5.774025     12.523024
  C      -5.365651     -5.418537      9.837676
  H      -0.678661     -1.353005      0.224322
  H      -1.933085     -0.845605      1.377133
  H      -2.317566     -1.005900     -0.350911
  H      -1.519671     -3.311230      1.547034
  H      -1.860313     -3.507252     -0.178799
  H      -3.887883     -2.239292      1.711518
  H      -4.167389     -2.162161     -0.808044
  H      -4.320497     -3.915231     -0.813822
  H      -6.437349     -3.785371      0.087181
  H      -4.785748     -0.495741      0.566837
  H      -5.968731      1.418008      1.555129
  H      -8.365317      1.271614      2.183358
  H     -10.443861      0.227980      2.452066
  H      -8.441004     -2.802374      0.746412
  H     -10.534960     -5.723261      1.567332
  H     -10.516843     -4.362539      2.699259
  H     -10.509166     -6.029908      3.315388
  H      -8.212938     -4.687908      1.734384
  H      -8.263769     -6.395999      2.152159
  H      -8.332602     -5.739354      4.602226
  H      -9.266605     -3.473194      4.152036
  H      -7.706833     -2.966246      3.511000
  H      -7.384217     -4.104007      6.155385
  H      -8.096865     -1.024485      4.210902
  H      -7.224696      1.165793      4.910824
  H      -6.039835      1.451474      7.077879
  H      -5.109487      0.758996      9.110762
  H      -6.594750     -2.765401      7.874852
  H      -0.766188     -3.786065      6.094977
  H      -1.242979     -3.486270      7.781114
  H      -0.444202     -2.218378      6.843865
  H      -2.826138     -1.659496      6.980307
  H      -2.414308     -2.031521      5.309705
  H      -4.603025     -2.811145      6.030471
  H      -3.184351     -4.710911      7.963054
  H      -4.196463     -3.303856      8.322879
  H      -5.334755     -5.339665      6.541992
  H      -7.081726     -6.791191      7.220849
  H      -8.098424     -8.068768      9.087147
  H      -7.405318     -7.659403     11.435535
  H      -6.177546     -6.671479     13.160107
  H      -4.596085     -4.679207     10.061739
  N      -5.381592     -2.670754      3.652458
  H      -5.721294     -1.707409      3.788429
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.729184998034
  N      -3.875520     -4.302967      1.865659
  C      -3.468918     -5.562757      1.234173
  C      -2.968092     -6.500559      2.315690
  N      -3.946058     -6.502293      3.427628
  C      -5.098591     -7.389512      3.157622
  C      -6.296406     -6.886434      3.934390
  N      -6.471417     -5.438994      3.734619
  Mo     -4.848398     -4.309925      3.570661
  N      -3.691702     -4.432393      5.155584
  C      -2.699285     -5.506693      5.266712
  C      -3.304696     -6.791628      4.732022
  H      -2.398882     -5.653606      6.314053
  H      -1.783271     -5.244760      4.708814
  H      -4.083199     -7.141023      5.423933
  H      -2.554005     -7.593512      4.631024
  H      -7.191796     -7.428478      3.591251
  H      -6.195193     -7.113451      5.013083
  H      -5.320364     -7.336625      2.082554
  H      -4.858241     -8.436713      3.409244
  H      -2.667034     -5.389132      0.502023
  H      -4.312853     -6.012654      0.680813
  H      -2.016327     -6.115619      2.705936
  H      -2.800864     -7.523443      1.938114
  C      -1.741765     -1.457667      0.492089
  C      -2.120724     -2.921131      0.723382
  C      -3.612261     -3.085547      1.070854
  C      -4.493050     -3.021816     -0.197712
  N      -5.912257     -2.918845      0.042887
  C      -6.522598     -1.815418      0.605380
  C      -5.835752     -0.605072      0.838680
  C      -6.512705      0.479455      1.397308
  C      -7.859841      0.405551      1.747718
  C      -8.548743     -0.794984      1.511264
  S     -10.256157     -1.015479      1.929975
  C      -7.889927     -1.885371      0.941038
  C     -10.105139     -5.312581      2.448573
  C      -8.579058     -5.390616      2.454532
  C      -7.912714     -5.078803      3.807961
  C      -8.195916     -3.645923      4.232024
  N      -7.739124     -3.344512      5.572271
  C      -7.361319     -2.083120      5.968387
  C      -7.555861     -0.947174      5.149065
  C      -7.076747      0.296619      5.567975
  C      -6.415785      0.459797      6.783090
  C      -6.259311     -0.661999      7.616294
  S      -5.443805     -0.575071      9.187892
  C      -6.734994     -1.911903      7.221213
  C      -1.181508     -3.018913      6.764395
  C      -2.531614     -2.470917      6.300233
  C      -3.732442     -3.429453      6.248756
  C      -4.030495     -4.102712      7.593500
  N      -5.231472     -4.904276      7.471323
  C      -5.746288     -5.645700      8.524893
  C      -6.738317     -6.616131      8.268545
  C      -7.302621     -7.328765      9.320708
  C      -6.908288     -7.105240     10.642439
  C      -5.922039     -6.144414     10.900932
  S      -5.346208     -5.780703     12.534350
  C      -5.339290     -5.420673      9.849651
  H      -0.676198     -1.365306      0.241836
  H      -1.930556     -0.857002      1.394179
  H      -2.312599     -1.011514     -0.335081
  H      -1.525428     -3.325661      1.557153
  H      -1.862971     -3.513917     -0.170223
  H      -3.892948     -2.245495      1.717097
  H      -4.160702     -2.161412     -0.800984
  H      -4.317734     -3.914824     -0.815542
  H      -6.438110     -3.784777      0.071901
  H      -4.784998     -0.499135      0.572923
  H      -5.969498      1.411025      1.566905
  H      -8.367480      1.263147      2.189226
  H     -10.447376      0.218229      2.450300
  H      -8.441656     -2.806048      0.737777
  H     -10.502191     -5.680296      1.492345
  H     -10.471408     -4.285761      2.582290
  H     -10.537150     -5.932765      3.248601
  H      -8.152748     -4.700970      1.709619
  H      -8.272054     -6.401582      2.143974
  H      -8.356686     -5.743518      4.575777
  H      -9.282352     -3.480142      4.146926
  H      -7.725379     -2.962536      3.506424
  H      -7.415776     -4.112308      6.152893
  H      -8.102285     -1.023510      4.209999
  H      -7.228378      1.162313      4.919878
  H      -6.045589      1.438375      7.089064
  H      -5.117619      0.736017      9.120344
  H      -6.603337     -2.781989      7.866756
  H      -0.774253     -3.775027      6.080164
  H      -1.237523     -3.464074      7.768166
  H      -0.448337     -2.201653      6.815191
  H      -2.833042     -1.649013      6.970960
  H      -2.430056     -2.023260      5.298392
  H      -4.611674     -2.808788      6.034643
  H      -3.173358     -4.697186      7.963700
  H      -4.189557     -3.293885      8.325785
  H      -5.337759     -5.329612      6.553111
  H      -7.068010     -6.794172      7.241686
  H      -8.070122     -8.076613      9.112524
  H      -7.362276     -7.669426     11.457202
  H      -6.126676     -6.680542     13.175144
  H      -4.571202     -4.678707     10.069695
  N      -5.389711     -2.671100      3.650394
  H      -5.719487     -1.702963      3.774653
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.729198808028
  N      -3.886725     -4.308428      1.869034
  C      -3.482062     -5.569626      1.239173
  C      -2.982407     -6.506386      2.322222
  N      -3.959825     -6.505527      3.434441
  C      -5.111429     -7.394712      3.167111
  C      -6.309902     -6.889724      3.941782
  N      -6.485044     -5.443196      3.736420
  Mo     -4.863068     -4.312808      3.572250
  N      -3.706159     -4.430498      5.157255
  C      -2.712539     -5.503455      5.269805
  C      -3.317780     -6.790291      4.739565
  H      -2.410230     -5.647191      6.316968
  H      -1.797533     -5.242055      4.709946
  H      -4.095960     -7.137341      5.432999
  H      -2.566932     -7.592310      4.640757
  H      -7.204869     -7.433353      3.600195
  H      -6.208716     -7.112639      5.021240
  H      -5.333105     -7.345399      2.091868
  H      -4.870081     -8.440835      3.422232
  H      -2.679165     -5.398316      0.507566
  H      -4.326346     -6.018462      0.685594
  H      -2.030103     -6.121567      2.711362
  H      -2.815938     -7.530025      1.946360
  C      -1.731506     -1.472247      0.510390
  C      -2.119624     -2.934265      0.736662
  C      -3.614046     -3.091987      1.076970
  C      -4.487155     -3.022162     -0.196797
  N      -5.907282     -2.913518      0.035581
  C      -6.514572     -1.810201      0.601890
  C      -5.822753     -0.603667      0.839332
  C      -6.495843      0.482363      1.400267
  C      -7.843927      0.413702      1.747182
  C      -8.538299     -0.783105      1.505836
  S     -10.248749     -0.995085      1.916009
  C      -7.882885     -1.875714      0.936005
  C     -10.095765     -5.267224      2.384586
  C      -8.573096     -5.389773      2.428030
  C      -7.926506     -5.082290      3.792439
  C      -8.214598     -3.651523      4.220870
  N      -7.756728     -3.353293      5.561320
  C      -7.377712     -2.094295      5.963549
  C      -7.567615     -0.954731      5.148676
  C      -7.088968      0.286634      5.574901
  C      -6.433324      0.444207      6.793652
  C      -6.280349     -0.681679      7.622043
  S      -5.470133     -0.603207      9.196815
  C      -6.755056     -1.929407      7.218964
  C      -1.192739     -2.999193      6.744438
  C      -2.547753     -2.458429      6.285947
  C      -3.744795     -3.422288      6.245597
  C      -4.031010     -4.089887      7.595896
  N      -5.226484     -4.900772      7.485627
  C      -5.726622     -5.645650      8.542827
  C      -6.714186     -6.623222      8.295786
  C      -7.261831     -7.341185      9.353019
  C      -6.855382     -7.116098     10.670819
  C      -5.873748     -6.148135     10.919891
  S      -5.283206     -5.781983     12.547466
  C      -5.307614     -5.418999      9.863517
  H      -0.664252     -1.385482      0.265608
  H      -1.921550     -0.871628      1.412200
  H      -2.295310     -1.022020     -0.319352
  H      -1.529754     -3.344376      1.571521
  H      -1.861472     -3.525654     -0.157770
  H      -3.894429     -2.251222      1.722362
  H      -4.147603     -2.161264     -0.795328
  H      -4.312281     -3.914232     -0.815996
  H      -6.436650     -3.777356      0.059014
  H      -4.770874     -0.501825      0.576329
  H      -5.948611      1.411030      1.573744
  H      -8.348964      1.272836      2.188876
  H     -10.433933      0.236718      2.443068
  H      -8.438468     -2.793451      0.729562
  H     -10.482162     -5.651851      1.430547
  H     -10.433106     -4.226291      2.479202
  H     -10.564568     -5.849948      3.191952
  H      -8.109938     -4.721124      1.685944
  H      -8.288649     -6.412792      2.135677
  H      -8.381406     -5.750276      4.550954
  H      -9.302046     -3.490882      4.138109
  H      -7.747822     -2.963329      3.498095
  H      -7.451544     -4.124295      6.146942
  H      -8.108863     -1.025670      4.206151
  H      -7.237582      1.155679      4.930526
  H      -6.064909      1.421354      7.105923
  H      -5.142568      0.707861      9.136700
  H      -6.624391     -2.803458      7.859631
  H      -0.786878     -3.757392      6.061652
  H      -1.241124     -3.439482      7.750792
  H      -0.462054     -2.179207      6.786575
  H      -2.848649     -1.635318      6.955386
  H      -2.453712     -2.014209      5.281813
  H      -4.627884     -2.806335      6.033600
  H      -3.167839     -4.677137      7.963415
  H      -4.189933     -3.278087      8.325004
  H      -5.344056     -5.321318      6.566662
  H      -7.052450     -6.803153      7.272075
  H      -8.025835     -8.094528      9.152118
  H      -7.296316     -7.684476     11.489717
  H      -6.050676     -6.687755     13.195551
  H      -4.543129     -4.671208     10.076021
  N      -5.403567     -2.673518      3.643866
  H      -5.725905     -1.701537      3.754652
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.729215920544
  N      -3.884150     -4.306052      1.869016
  C      -3.479727     -5.566450      1.237479
  C      -2.983040     -6.505254      2.320078
  N      -3.962025     -6.504554      3.430768
  C      -5.113321     -7.393149      3.160810
  C      -6.311938     -6.890031      3.936142
  N      -6.488031     -5.443053      3.733662
  Mo     -4.865264     -4.312537      3.569492
  N      -3.709319     -4.429906      5.155027
  C      -2.716168     -5.503444      5.267680
  C      -3.321498     -6.789955      4.736605
  H      -2.414854     -5.647820      6.314960
  H      -1.800613     -5.241669      4.708948
  H      -4.100605     -7.136234      5.429317
  H      -2.571074     -7.592393      4.638146
  H      -7.206451     -7.433847      3.593944
  H      -6.210350     -7.114508      5.015200
  H      -5.334753     -7.340710      2.085639
  H      -4.871968     -8.439959      3.413009
  H      -2.674421     -5.394252      0.508753
  H      -4.322832     -6.012911      0.680436
  H      -2.030787     -6.122002      2.710907
  H      -2.817206     -7.528638      1.943254
  C      -1.722746     -1.468575      0.521920
  C      -2.112545     -2.930569      0.746285
  C      -3.608692     -3.088610      1.080643
  C      -4.477090     -3.017735     -0.196319
  N      -5.897708     -2.910600      0.033804
  C      -6.506710     -1.807552      0.598834
  C      -5.816644     -0.599405      0.832657
  C      -6.491355      0.486970      1.391508
  C      -7.839320      0.417494      1.737681
  C      -8.532358     -0.781053      1.499623
  S     -10.242949     -0.993330      1.908220
  C      -7.874810     -1.874905      0.935009
  C     -10.115701     -5.296605      2.425206
  C      -8.590867     -5.397199      2.442999
  C      -7.929093     -5.082264      3.799357
  C      -8.216072     -3.649259      4.221747
  N      -7.759073     -3.345197      5.561312
  C      -7.376752     -2.085531      5.958712
  C      -7.563731     -0.948916      5.139967
  C      -7.084342      0.293444      5.562659
  C      -6.430102      0.454594      6.781617
  C      -6.277785     -0.669151      7.613328
  S      -5.468480     -0.587226      9.188126
  C      -6.753424     -1.917503      7.213439
  C      -1.195544     -3.003633      6.751454
  C      -2.548315     -2.460529      6.288344
  C      -3.747848     -3.421890      6.243383
  C      -4.039195     -4.088409      7.593423
  N      -5.236127     -4.897514      7.482395
  C      -5.731970     -5.647111      8.538974
  C      -6.716961     -6.627201      8.291599
  C      -7.258167     -7.350966      9.348122
  C      -6.848355     -7.128941     10.665296
  C      -5.869572     -6.158210     10.914680
  S      -5.275242     -5.795217     12.541292
  C      -5.309675     -5.423469      9.859016
  H      -0.653310     -1.382079      0.286728
  H      -1.921078     -0.866186      1.420802
  H      -2.278957     -1.020196     -0.313831
  H      -1.525694     -3.341374      1.582878
  H      -1.851086     -3.521163     -0.147741
  H      -3.892293     -2.248398      1.725140
  H      -4.136795     -2.155393     -0.792285
  H      -4.299156     -3.908273     -0.816633
  H      -6.427266     -3.774407      0.054577
  H      -4.764751     -0.496609      0.570052
  H      -5.945172      1.416796      1.563077
  H      -8.345996      1.276904      2.176995
  H     -10.428336      0.238615      2.434915
  H      -8.428849     -2.794129      0.731515
  H     -10.512533     -5.677648      1.473980
  H     -10.465393     -4.261267      2.535367
  H     -10.563000     -5.893073      3.234596
  H      -8.150558     -4.718991      1.695633
  H      -8.296293     -6.414857      2.142713
  H      -8.377252     -5.746252      4.565431
  H      -9.303646     -3.489197      4.138416
  H      -7.749634     -2.964449      3.495912
  H      -7.455360     -4.114108      6.150773
  H      -8.102457     -1.021463      4.196114
  H      -7.231942      1.160771      4.915858
  H      -6.062907      1.432837      7.092057
  H      -5.139171      0.723240      9.124531
  H      -6.623828     -2.790459      7.856038
  H      -0.782244     -3.753057      6.063535
  H      -1.251825     -3.455809      7.752020
  H      -0.466951     -2.182664      6.809170
  H      -2.850263     -1.637968      6.957882
  H      -2.450213     -2.014901      5.285264
  H      -4.628069     -2.802867      6.028465
  H      -3.178326     -4.678626      7.961308
  H      -4.196343     -3.276738      8.322826
  H      -5.352113     -5.318427      6.563263
  H      -7.057424     -6.804602      7.268297
  H      -8.020268     -8.106266      9.147306
  H      -7.284505     -7.701814     11.483560
  H      -6.038448     -6.704807     13.189077
  H      -4.547449     -4.673308     10.071161
  N      -5.405755     -2.673521      3.640108
  H      -5.732864     -1.702773      3.748802
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.729228952257
  N      -3.885360     -4.306403      1.870416
  C      -3.484014     -5.568678      1.240470
  C      -2.988910     -6.507009      2.324129
  N      -3.968937     -6.502914      3.434041
  C      -5.121244     -7.390291      3.164014
  C      -6.320292     -6.884319      3.936804
  N      -6.493658     -5.437474      3.731889
  Mo     -4.869300     -4.309357      3.569262
  N      -3.716362     -4.426663      5.156801
  C      -2.724112     -5.500985      5.270943
  C      -3.330275     -6.787511      4.741017
  H      -2.422909     -5.644579      6.318464
  H      -1.808414     -5.240510      4.711856
  H      -4.110508     -7.131936      5.433405
  H      -2.580742     -7.590973      4.644441
  H      -7.215437     -7.426591      3.593728
  H      -6.220513     -7.107590      5.016395
  H      -5.341131     -7.338806      2.088443
  H      -4.881798     -8.437131      3.417877
  H      -2.679168     -5.399044      0.510655
  H      -4.328527     -6.014557      0.685164
  H      -2.035995     -6.125451      2.714850
  H      -2.825391     -7.531206      1.948458
  C      -1.710780     -1.477264      0.528298
  C      -2.105824     -2.937585      0.752108
  C      -3.603466     -3.090643      1.081293
  C      -4.468110     -3.020089     -0.197461
  N      -5.889699     -2.913986      0.029370
  C      -6.501442     -1.811710      0.592642
  C      -5.813844     -0.602849      0.831383
  C      -6.491623      0.481369      1.390257
  C      -7.840524      0.409316      1.732572
  C      -8.530943     -0.789418      1.489582
  S     -10.241833     -1.005215      1.894600
  C      -7.870462     -1.880824      0.923188
  C     -10.118131     -5.285221      2.415439
  C      -8.593464     -5.387500      2.437063
  C      -7.934231     -5.074619      3.794865
  C      -8.219319     -3.641742      4.218493
  N      -7.762433     -3.340769      5.558245
  C      -7.381387     -2.082168      5.959488
  C      -7.562756     -0.944490      5.140740
  C      -7.083591      0.296905      5.566678
  C      -6.435470      0.455883      6.789199
  C      -6.290583     -0.668335      7.621479
  S      -5.492360     -0.587555      9.202007
  C      -6.765584     -1.915840      7.218379
  C      -1.200694     -2.998617      6.740856
  C      -2.555186     -2.454948      6.283919
  C      -3.754298     -3.416932      6.243437
  C      -4.042327     -4.081319      7.594697
  N      -5.237121     -4.893544      7.485850
  C      -5.724930     -5.648267      8.542437
  C      -6.709827     -6.629004      8.297160
  C      -7.243180     -7.358152      9.354105
  C      -6.825340     -7.141270     10.669645
  C      -5.846592     -6.169967     10.917157
  S      -5.242491     -5.813399     12.541687
  C      -5.294540     -5.429570      9.861102
  H      -0.640281     -1.393880      0.296531
  H      -1.910154     -0.874450      1.426720
  H      -2.263545     -1.027068     -0.308807
  H      -1.523704     -3.349288      1.591611
  H      -1.842818     -3.530344     -0.139977
  H      -3.886116     -2.248284      1.723328
  H      -4.126763     -2.158560     -0.794031
  H      -4.287835     -3.911009     -0.816601
  H      -6.418448     -3.778373      0.050097
  H      -4.761922     -0.497629      0.570886
  H      -5.947269      1.411294      1.565612
  H      -8.349203      1.266341      2.173994
  H     -10.429369      0.223786      2.427379
  H      -8.422512     -2.800290      0.716216
  H     -10.512515     -5.664443      1.462587
  H     -10.467059     -4.249760      2.526019
  H     -10.568475     -5.882407      3.222635
  H      -8.150121     -4.709486      1.691256
  H      -8.299113     -6.405385      2.137540
  H      -8.384959     -5.738441      4.559637
  H      -9.306486     -3.479462      4.134486
  H      -7.750987     -2.956810      3.493457
  H      -7.463300     -4.111206      6.148051
  H      -8.098309     -1.015374      4.194856
  H      -7.226268      1.164698      4.919414
  H      -6.068262      1.433234      7.102467
  H      -5.153464      0.720462      9.137172
  H      -6.641091     -2.789195      7.861427
  H      -0.790806     -3.747530      6.050268
  H      -1.252694     -3.451733      7.741098
  H      -0.471789     -2.177911      6.796224
  H      -2.854307     -1.632230      6.954576
  H      -2.461265     -2.009512      5.280441
  H      -4.635865     -2.799589      6.028838
  H      -3.179395     -4.668485      7.963184
  H      -4.201263     -3.268430      8.322492
  H      -5.355864     -5.311648      6.565783
  H      -7.056953     -6.802229      7.275257
  H      -8.005296     -8.113933      9.154846
  H      -7.255470     -7.718595     11.488150
  H      -5.997152     -6.729892     13.189748
  H      -4.531646     -4.679486     10.071874
  N      -5.408521     -2.669548      3.636660
  H      -5.735480     -1.698657      3.742359
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.729241794074
  N      -3.886310     -4.308380      1.873225
  C      -3.486911     -5.572261      1.245211
  C      -2.992426     -6.509258      2.330268
  N      -3.973405     -6.502649      3.439398
  C      -5.125449     -7.390767      3.170042
  C      -6.325738     -6.882822      3.939710
  N      -6.498444     -5.436582      3.730499
  Mo     -4.873881     -4.308831      3.570262
  N      -3.723439     -4.423043      5.159608
  C      -2.730501     -5.496685      5.275456
  C      -3.335872     -6.784400      4.747636
  H      -2.428907     -5.638505      6.323194
  H      -1.815191     -5.236248      4.715738
  H      -4.116647     -7.127344      5.440168
  H      -2.586223     -7.587996      4.653493
  H      -7.220664     -7.425389      3.596614
  H      -6.227154     -7.103216      5.020023
  H      -5.343880     -7.341468      2.094066
  H      -4.886301     -8.437019      3.426517
  H      -2.682801     -5.404845      0.514151
  H      -4.332488     -6.018594      0.691875
  H      -2.039338     -6.128187      2.720914
  H      -2.829949     -7.534152      1.956039
  C      -1.708571     -1.483456      0.527597
  C      -2.104808     -2.943019      0.752842
  C      -3.602525     -3.094066      1.082364
  C      -4.467862     -3.024801     -0.195952
  N      -5.889294     -2.915079      0.031428
  C      -6.498554     -1.810859      0.593248
  C      -5.808806     -0.602758      0.830835
  C      -6.485141      0.483739      1.386792
  C      -7.834930      0.415171      1.727140
  C      -8.527014     -0.782726      1.486116
  S     -10.239443     -0.993841      1.886685
  C      -7.867655     -1.876685      0.923002
  C     -10.117607     -5.275611      2.401254
  C      -8.593553     -5.385338      2.429437
  C      -7.938432     -5.072269      3.788982
  C      -8.222727     -3.638934      4.212045
  N      -7.765590     -3.339433      5.551717
  C      -7.384729     -2.082418      5.957179
  C      -7.560678     -0.942824      5.139861
  C      -7.079537      0.296644      5.569124
  C      -6.435170      0.451837      6.794130
  C      -6.296531     -0.673915      7.625263
  S      -5.504668     -0.597200      9.209193
  C      -6.773418     -1.919578      7.218796
  C      -1.207709     -2.990461      6.733912
  C      -2.564038     -2.447912      6.281308
  C      -3.762023     -3.411432      6.244425
  C      -4.047287     -4.073455      7.597246
  N      -5.238408     -4.891331      7.490354
  C      -5.718051     -5.651591      8.546684
  C      -6.695734     -6.639574      8.301703
  C      -7.221745     -7.374197      9.358543
  C      -6.803201     -7.156237     10.673657
  C      -5.831379     -6.177879     10.921030
  S      -5.227657     -5.818932     12.545125
  C      -5.287059     -5.431468      9.865182
  H      -0.637413     -1.400745      0.298656
  H      -1.909971     -0.879468      1.424829
  H      -2.259210     -1.033879     -0.311237
  H      -1.523087     -3.354224      1.592925
  H      -1.842462     -3.537460     -0.138305
  H      -3.883689     -2.250174      1.723123
  H      -4.125275     -2.166764     -0.796717
  H      -4.289769     -3.918720     -0.811366
  H      -6.419373     -3.778618      0.055020
  H      -4.756670     -0.500058      0.569902
  H      -5.939276      1.412914      1.560973
  H      -8.342562      1.274000      2.166235
  H     -10.426638      0.236975      2.415447
  H      -8.420900     -2.795734      0.718347
  H     -10.510051     -5.660112      1.449706
  H     -10.461218     -4.237501      2.502492
  H     -10.574473     -5.864259      3.211141
  H      -8.143762     -4.711259      1.683744
  H      -8.302491     -6.405466      2.134360
  H      -8.392763     -5.735077      4.552656
  H      -9.309806     -3.476132      4.127583
  H      -7.753672     -2.954002      3.487416
  H      -7.477837     -4.111505      6.144869
  H      -8.094283     -1.010729      4.192732
  H      -7.217131      1.165898      4.922720
  H      -6.066655      1.427683      7.110416
  H      -5.158931      0.709119      9.145868
  H      -6.651750     -2.794659      7.859982
  H      -0.798417     -3.737165      6.040548
  H      -1.256633     -3.446038      7.733113
  H      -0.480073     -2.168749      6.789474
  H      -2.861944     -1.625200      6.952537
  H      -2.473518     -2.002745      5.277432
  H      -4.644763     -2.796031      6.029099
  H      -3.181796     -4.656295      7.966939
  H      -4.209562     -3.259441      8.323055
  H      -5.357734     -5.308197      6.569776
  H      -7.043305     -6.813725      7.280106
  H      -7.978418     -8.135495      9.159503
  H      -7.227677     -7.738085     11.491966
  H      -5.973633     -6.742697     13.192960
  H      -4.530242     -4.675197     10.075914
  N      -5.412345     -2.668410      3.632102
  H      -5.736866     -1.696104      3.730848
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.729260226461
  N      -3.889923     -4.311822      1.878153
  C      -3.493888     -5.578415      1.253251
  C      -3.004009     -6.514702      2.341114
  N      -3.987612     -6.502592      3.447986
  C      -5.139865     -7.390724      3.179129
  C      -6.341624     -6.878640      3.943799
  N      -6.512335     -5.433327      3.727172
  Mo     -4.886300     -4.307331      3.570458
  N      -3.741201     -4.417406      5.163385
  C      -2.748128     -5.490709      5.282852
  C      -3.353179     -6.779980      4.758819
  H      -2.446390     -5.629243      6.331017
  H      -1.832972     -5.231639      4.722324
  H      -4.135511     -7.119637      5.451237
  H      -2.603946     -7.584430      4.669149
  H      -7.236433     -7.421664      3.601160
  H      -6.245202     -7.093874      5.025327
  H      -5.355660     -7.344341      2.102471
  H      -4.902268     -8.436336      3.439492
  H      -2.688616     -5.415263      0.522496
  H      -4.340437     -6.023521      0.700442
  H      -2.050323     -6.136197      2.732668
  H      -2.844579     -7.540942      1.969337
  C      -1.693213     -1.497700      0.541267
  C      -2.096529     -2.955081      0.766582
  C      -3.596657     -3.099693      1.087643
  C      -4.455636     -3.028104     -0.194869
  N      -5.877827     -2.913801      0.026395
  C      -6.486422     -1.808407      0.586294
  C      -5.795082     -0.601458      0.826128
  C      -6.471070      0.486228      1.379962
  C      -7.822171      0.420233      1.716039
  C      -8.515740     -0.776258      1.472850
  S     -10.229812     -0.983508      1.867479
  C      -7.856532     -1.871606      0.911904
  C     -10.124553     -5.258291      2.380465
  C      -8.601610     -5.380620      2.417353
  C      -7.951353     -5.066194      3.778717
  C      -8.234558     -3.631884      4.200310
  N      -7.776349     -3.333504      5.539217
  C      -7.394711     -2.079085      5.950093
  C      -7.558744     -0.937345      5.133246
  C      -7.074917      0.299100      5.568150
  C      -6.440029      0.449278      6.798787
  C      -6.313895     -0.678304      7.629374
  S      -5.536232     -0.607039      9.220604
  C      -6.793053     -1.921114      7.217064
  C      -1.224295     -2.971152      6.714936
  C      -2.585823     -2.433354      6.272383
  C      -3.780320     -3.401589      6.244282
  C      -4.057726     -4.058651      7.601073
  N      -5.243318     -4.885619      7.501705
  C      -5.703009     -5.658217      8.557768
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  C      -7.176253     -7.405085      9.373752
  C      -6.746986     -7.190331     10.685914
  C      -5.785190     -6.201159     10.929821
  S      -5.169683     -5.844929     12.550065
  C      -5.261540     -5.440849      9.873478
  H      -0.619244     -1.419039      0.324344
  H      -1.902705     -0.890403      1.434476
  H      -2.233093     -1.048648     -0.304768
  H      -1.521679     -3.367167      1.610973
  H      -1.831285     -3.552444     -0.121786
  H      -3.877081     -2.253682      1.725949
  H      -4.107667     -2.172533     -0.796050
  H      -4.277915     -3.923689     -0.808006
  H      -6.410270     -3.775852      0.048349
  H      -4.742197     -0.500755      0.567371
  H      -5.924004      1.414331      1.555889
  H      -8.329601      1.279798      2.153892
  H     -10.415718      0.246660      2.398228
  H      -8.410632     -2.789955      0.706213
  H     -10.515563     -5.651678      1.431943
  H     -10.459013     -4.215830      2.466437
  H     -10.590815     -5.832419      3.195465
  H      -8.142481     -4.713856      1.670797
  H      -8.316813     -6.404621      2.129605
  H      -8.410898     -5.726679      4.541355
  H      -9.321598     -3.468312      4.115097
  H      -7.764188     -2.947366      3.476357
  H      -7.515584     -4.107608      6.141775
  H      -8.085846     -1.000531      4.182128
  H      -7.202498      1.170106      4.922030
  H      -6.069591      1.422809      7.119900
  H      -5.181079      0.696926      9.160538
  H      -6.678018     -2.798626      7.856294
  H      -0.814683     -3.710889      6.014368
  H      -1.265574     -3.433846      7.711156
  H      -0.500959     -2.145827      6.772383
  H      -2.881788     -1.611118      6.945037
  H      -2.504026     -1.988680      5.267557
  H      -4.666127     -2.790538      6.028986
  H      -3.187338     -4.634218      7.970719
  H      -4.223046     -3.242113      8.323456
  H      -5.369498     -5.297130      6.579589
  H      -7.025871     -6.829172      7.297130
  H      -7.925140     -8.174781      9.177490
  H      -7.155727     -7.782837     11.504610
  H      -5.897711     -6.781891     13.199382
  H      -4.513259     -4.675361     10.081573
  N      -5.421209     -2.665239      3.621672
  H      -5.740875     -1.690253      3.705521
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.729286915006
  N      -3.893585     -4.316753      1.886238
  C      -3.500946     -5.587327      1.267008
  C      -3.018442     -6.521874      2.359729
  N      -4.006388     -6.501611      3.462698
  C      -5.158824     -7.389701      3.194292
  C      -6.362784     -6.871176      3.951104
  N      -6.530421     -5.427257      3.723406
  Mo     -4.902201     -4.304020      3.571958
  N      -3.765619     -4.408133      5.170367
  C      -2.772515     -5.480900      5.296103
  C      -3.376921     -6.772508      4.777570
  H      -2.471062     -5.614047      6.345025
  H      -1.857276     -5.224211      4.734711
  H      -4.161590     -7.107722      5.469516
  H      -2.628101     -7.578036      4.694645
  H      -7.257319     -7.415063      3.609108
  H      -6.270053     -7.078498      5.034425
  H      -5.370301     -7.348171      2.116560
  H      -4.923765     -8.434260      3.460941
  H      -2.693349     -5.430363      0.537489
  H      -4.348044     -6.031456      0.714207
  H      -2.064303     -6.146719      2.753280
  H      -2.862875     -7.550149      1.992081
  C      -1.673009     -1.519428      0.553194
  C      -2.085876     -2.973236      0.782810
  C      -3.588825     -3.108555      1.094322
  C      -4.440876     -3.035038     -0.192742
  N      -5.863565     -2.913389      0.021979
  C      -6.469559     -1.804466      0.577535
  C      -5.774363     -0.599351      0.816378
  C      -6.447776      0.492153      1.365576
  C      -7.800183      0.431975      1.698156
  C      -8.497499     -0.762605      1.456292
  S     -10.213427     -0.961799      1.846160
  C      -7.840560     -1.861982      0.900165
  C     -10.136781     -5.245927      2.362967
  C      -8.614471     -5.374355      2.404957
  C      -7.968077     -5.056462      3.767234
  C      -8.249296     -3.620251      4.185400
  N      -7.789138     -3.321367      5.522741
  C      -7.406884     -2.069805      5.939176
  C      -7.552369     -0.926716      5.120470
  C      -7.065010      0.306061      5.561574
  C      -6.445388      0.451632      6.800623
  C      -6.338434     -0.676788      7.632726
  S      -5.581594     -0.610360      9.234272
  C      -6.820584     -1.916255      7.214022
  C      -1.250094     -2.943381      6.690920
  C      -2.618961     -2.411571      6.264054
  C      -3.807805     -3.386803      6.246052
  C      -4.076121     -4.037704      7.607670
  N      -5.253858     -4.877331      7.516522
  C      -5.684404     -5.670595      8.569370
  C      -6.635021     -6.686049      8.329708
  C      -7.110972     -7.455961      9.385148
  C      -6.666994     -7.248217     10.693526
  C      -5.721649     -6.242801     10.935662
  S      -5.090086     -5.893636     12.551266
  C      -5.228883     -5.459548      9.881338
  H      -0.595358     -1.446782      0.353187
  H      -1.893976     -0.904749      1.438640
  H      -2.197302     -1.073803     -0.304308
  H      -1.519687     -3.384293      1.633556
  H      -1.817470     -3.576798     -0.100435
  H      -3.867522     -2.259160      1.728972
  H      -4.086064     -2.183462     -0.795491
  H      -4.265333     -3.933509     -0.802389
  H      -6.399378     -3.773209      0.045908
  H      -4.720493     -0.503613      0.559559
  H      -5.897779      1.418705      1.540679
  H      -8.305809      1.294579      2.132140
  H     -10.395809      0.269816      2.374806
  H      -8.397067     -2.779476      0.696652
  H     -10.527299     -5.648727      1.418149
  H     -10.466149     -4.200797      2.435765
  H     -10.607723     -5.808224      3.183530
  H      -8.150739     -4.712790      1.656609
  H      -8.332032     -6.400798      2.123515
  H      -8.433387     -5.712779      4.530078
  H      -9.336166     -3.454874      4.097967
  H      -7.776091     -2.937636      3.462076
  H      -7.575896     -4.095533      6.143248
  H      -8.068901     -0.985025      4.163238
  H      -7.177369      1.178169      4.914046
  H      -6.071732      1.422235      7.126791
  H      -5.215401      0.690691      9.177809
  H      -6.715998     -2.795827      7.852527
  H      -0.839489     -3.669837      5.977144
  H      -1.280507     -3.420399      7.680764
  H      -0.533344     -2.112868      6.754978
  H      -2.912479     -1.591601      6.940502
  H      -2.549625     -1.965516      5.258882
  H      -4.697809     -2.782126      6.029910
  H      -3.199691     -4.603276      7.978243
  H      -4.246882     -3.218025      8.325389
  H      -5.388400     -5.279923      6.591557
  H      -7.001485     -6.852678      7.313537
  H      -7.847158     -8.238164      9.190324
  H      -7.052204     -7.858339     11.510670
  H      -5.793793     -6.849386     13.200017
  H      -4.494681     -4.680227     10.088064
  N      -5.431264     -2.659401      3.607002
  H      -5.743672     -1.680757      3.667753
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.729317574147
  N      -3.894353     -4.320956      1.894134
  C      -3.503374     -5.594983      1.280856
  C      -3.027681     -6.527215      2.378545
  N      -4.019664     -6.499809      3.477768
  C      -5.172455     -7.387457      3.209739
  C      -6.378109     -6.862791      3.959509
  N      -6.542957     -5.420082      3.721977
  Mo     -4.912510     -4.299712      3.574674
  N      -3.783243     -4.399064      5.177823
  C      -2.790832     -5.471720      5.310059
  C      -3.394795     -6.765239      4.796159
  H      -2.490444     -5.599667      6.359853
  H      -1.874931     -5.218028      4.748425
  H      -4.181504     -7.097077      5.487406
  H      -2.646186     -7.571551      4.719022
  H      -7.272353     -7.407791      3.618335
  H      -6.288996     -7.062806      5.044430
  H      -5.379988     -7.350836      2.131059
  H      -4.939987     -8.430995      3.482491
  H      -2.693268     -5.443547      0.552975
  H      -4.350288     -6.038953      0.727491
  H      -2.073567     -6.154261      2.774236
  H      -2.874683     -7.557315      2.015066
  C      -1.658708     -1.536826      0.556714
  C      -2.077680     -2.987633      0.794312
  C      -3.582473     -3.116589      1.099335
  C      -4.429679     -3.043360     -0.191238
  N      -5.852697     -2.916420      0.017998
  C      -6.457107     -1.803971      0.568162
  C      -5.759217     -0.599722      0.803568
  C      -6.430496      0.495259      1.348482
  C      -7.783267      0.439140      1.680638
  C      -8.483380     -0.754682      1.442045
  S     -10.199702     -0.948842      1.832853
  C      -7.828552     -1.857304      0.889888
  C     -10.148858     -5.240263      2.361595
  C      -8.626421     -5.368096      2.401637
  C      -7.979685     -5.046502      3.762659
  C      -8.258776     -3.608240      4.176782
  N      -7.793669     -3.306211      5.511047
  C      -7.413511     -2.055264      5.929354
  C      -7.544198     -0.913188      5.106440
  C      -7.055923      0.318058      5.550466
  C      -6.450240      0.463767      6.796459
  C      -6.357758     -0.663400      7.631978
  S      -5.617271     -0.596901      9.241284
  C      -6.840611     -1.901622      7.210366
  C      -1.270731     -2.921337      6.675015
  C      -2.645619     -2.393422      6.262765
  C      -3.829416     -3.374396      6.250428
  C      -4.091773     -4.022501      7.614858
  N      -5.265669     -4.868684      7.528954
  C      -5.672698     -5.682888      8.575085
  C      -6.612964     -6.707273      8.332457
  C      -7.064437     -7.499637      9.381957
  C      -6.605137     -7.306270     10.687278
  C      -5.670373     -6.291698     10.932350
  S      -5.021432     -5.959447     12.544708
  C      -5.202915     -5.485363      9.884054
  H      -0.578389     -1.468545      0.370198
  H      -1.889304     -0.913503      1.433628
  H      -2.170344     -1.097340     -0.311479
  H      -1.517624     -3.394628      1.651066
  H      -1.806287     -3.598199     -0.083188
  H      -3.860315     -2.264562      1.730888
  H      -4.069957     -2.194591     -0.794932
  H      -4.255666     -3.944080     -0.798170
  H      -6.390494     -3.774882      0.045212
  H      -4.704625     -0.508118      0.548007
  H      -5.878566      1.421214      1.520897
  H      -8.287265      1.304613      2.110857
  H     -10.379132      0.284932      2.357450
  H      -8.386853     -2.774437      0.689149
  H     -10.541281     -5.648421      1.419859
  H     -10.478294     -4.194729      2.429174
  H     -10.617833     -5.798032      3.186374
  H      -8.164235     -4.708528      1.650600
  H      -8.343386     -6.395135      2.122699
  H      -8.447408     -5.698868      4.527442
  H      -9.345626     -3.441025      4.088771
  H      -7.784112     -2.928498      3.452391
  H      -7.630610     -4.075930      6.151494
  H      -8.050286     -0.970535      4.143577
  H      -7.156696      1.189310      4.899804
  H      -6.074947      1.433113      7.124578
  H      -5.248583      0.703486      9.187300
  H      -6.744065     -2.780944      7.850686
  H      -0.859793     -3.634679      5.948281
  H      -1.291742     -3.412879      7.658106
  H      -0.559173     -2.086983      6.746707
  H      -2.937127     -1.577187      6.944556
  H      -2.586685     -1.943616      5.258522
  H      -4.722569     -2.774572      6.033903
  H      -3.212143     -4.583129      7.984822
  H      -4.264487     -3.201381      8.330642
  H      -5.410099     -5.259275      6.600299
  H      -6.991182     -6.862657      7.318825
  H      -7.792745     -8.288571      9.184831
  H      -6.970935     -7.934086     11.499861
  H      -5.709569     -6.929564     13.188795
  H      -4.478151     -4.697920     10.093366
  N      -5.434787     -2.652561      3.595356
  H      -5.738912     -1.670555      3.635275
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.729362362369
  N      -3.892727     -4.325334      1.897785
  C      -3.500583     -5.601907      1.290822
  C      -3.030266     -6.530650      2.393710
  N      -4.026579     -6.498628      3.488803
  C      -5.179369     -7.385490      3.218668
  C      -6.387420     -6.855962      3.960742
  N      -6.549356     -5.413807      3.717125
  Mo     -4.916893     -4.296145      3.575008
  N      -3.795328     -4.393283      5.183300
  C      -2.804573     -5.466386      5.323091
  C      -3.407557     -6.760941      4.810656
  H      -2.507700     -5.590416      6.374187
  H      -1.886511     -5.215990      4.763485
  H      -4.196955     -7.091382      5.499488
  H      -2.658795     -7.567636      4.738498
  H      -7.280854     -7.401373      3.617832
  H      -6.303884     -7.051522      5.046835
  H      -5.381591     -7.353462      2.138882
  H      -4.949904     -8.428169      3.497173
  H      -2.687573     -5.454611      0.565386
  H      -4.345890     -6.047206      0.735891
  H      -2.077432     -6.157316      2.792241
  H      -2.876742     -7.562127      2.034373
  C      -1.649669     -1.552374      0.544995
  C      -2.072245     -3.000414      0.794195
  C      -3.577477     -3.124441      1.098745
  C      -4.423677     -3.052209     -0.192412
  N      -5.846444     -2.920541      0.015022
  C      -6.446840     -1.804434      0.562448
  C      -5.743353     -0.603365      0.796903
  C      -6.409581      0.495231      1.340976
  C      -7.762470      0.445386      1.673608
  C      -8.468503     -0.745192      1.434862
  S     -10.185551     -0.931974      1.827149
  C      -7.818906     -1.850840      0.882929
  C     -10.158442     -5.242552      2.364933
  C      -8.635064     -5.360483      2.398845
  C      -7.986023     -5.039272      3.758567
  C      -8.262814     -3.600375      4.172520
  N      -7.790734     -3.298381      5.503984
  C      -7.417782     -2.046434      5.925609
  C      -7.539146     -0.905093      5.100025
  C      -7.054735      0.326105      5.547859
  C      -6.461992      0.473139      6.799901
  C      -6.377990     -0.653329      7.637173
  S      -5.649795     -0.586315      9.252185
  C      -6.857452     -1.891738      7.212034
  C      -1.288072     -2.902013      6.662868
  C      -2.668021     -2.378684      6.261793
  C      -3.846524     -3.365401      6.253036
  C      -4.104993     -4.011061      7.619651
  N      -5.277920     -4.859485      7.538230
  C      -5.668020     -5.688674      8.578839
  C      -6.603480     -6.717105      8.334678
  C      -7.035665     -7.526738      9.379094
  C      -6.561743     -7.346291     10.681093
  C      -5.632950     -6.326716     10.927752
  S      -4.966886     -6.010099     12.536443
  C      -5.184885     -5.503219      9.884413
  H      -0.568532     -1.488171      0.361929
  H      -1.881846     -0.920553      1.415376
  H      -2.156442     -1.119431     -0.329363
  H      -1.514367     -3.401430      1.655180
  H      -1.800681     -3.618529     -0.077915
  H      -3.853232     -2.270465      1.728571
  H      -4.061351     -2.204752     -0.796312
  H      -4.252307     -3.954220     -0.798214
  H      -6.386185     -3.777756      0.046847
  H      -4.687749     -0.517877      0.543144
  H      -5.853520      1.418964      1.512761
  H      -8.262207      1.313993      2.102554
  H     -10.359458      0.303747      2.348919
  H      -8.381659     -2.765011      0.680957
  H     -10.551962     -5.645411      1.421375
  H     -10.495544     -4.200145      2.442887
  H     -10.619877     -5.810497      3.186935
  H      -8.179981     -4.696342      1.647581
  H      -8.346457     -6.384770      2.115193
  H      -8.453047     -5.690787      4.524534
  H      -9.349491     -3.430247      4.085282
  H      -7.787238     -2.922102      3.448086
  H      -7.672728     -4.062406      6.160647
  H      -8.034870     -0.963467      4.131851
  H      -7.149007      1.196644      4.895221
  H      -6.088441      1.442413      7.130182
  H      -5.287594      0.716009      9.203221
  H      -6.766784     -2.770056      7.854658
  H      -0.878420     -3.608397      5.928622
  H      -1.300051     -3.400227      7.642900
  H      -0.580037     -2.064677      6.735601
  H      -2.959003     -1.566090      6.948075
  H      -2.617432     -1.925505      5.258549
  H      -4.742568     -2.770339      6.035459
  H      -3.224085     -4.569544      7.989150
  H      -4.277143     -3.188509      8.334146
  H      -5.431024     -5.240694      6.607016
  H      -6.993314     -6.862463      7.323933
  H      -7.759927     -8.318998      9.180569
  H      -6.912180     -7.987423     11.489961
  H      -5.645425     -6.989034     13.177273
  H      -4.465371     -4.711459     10.095528
  N      -5.433425     -2.646870      3.585510
  H      -5.729211     -1.662053      3.611938
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.729458230026
  N      -3.888865     -4.333014      1.903612
  C      -3.495218     -5.613859      1.307475
  C      -3.032143     -6.535412      2.419243
  N      -4.034814     -6.496150      3.507982
  C      -5.187822     -7.381462      3.234628
  C      -6.399873     -6.843713      3.963613
  N      -6.556434     -5.402404      3.711252
  Mo     -4.920617     -4.289637      3.576321
  N      -3.809964     -4.382973      5.192000
  C      -2.822789     -5.457184      5.344682
  C      -3.424952     -6.753272      4.835118
  H      -2.532014     -5.574628      6.398022
  H      -1.900744     -5.213096      4.788686
  H      -4.218709     -7.081008      5.520194
  H      -2.676178     -7.560721      4.770899
  H      -7.291947     -7.389367      3.616949
  H      -6.326089     -7.032576      5.051527
  H      -5.381160     -7.357861      2.153089
  H      -4.963601     -8.422557      3.523196
  H      -2.678001     -5.473449      0.585517
  H      -4.338013     -6.061770      0.750576
  H      -2.081908     -6.159347      2.821634
  H      -2.876050     -7.569159      2.067496
  C      -1.639352     -1.575634      0.521403
  C      -2.065136     -3.019778      0.790418
  C      -3.570490     -3.137803      1.096976
  C      -4.415734     -3.069229     -0.195013
  N      -5.838686     -2.933403      0.008762
  C      -6.436206     -1.813971      0.552858
  C      -5.728552     -0.615368      0.786324
  C      -6.391216      0.485860      1.330348
  C      -7.743940      0.440313      1.663880
  C      -8.454729     -0.747702      1.424011
  S     -10.172489     -0.929838      1.817518
  C      -7.809060     -1.855163      0.872036
  C     -10.170002     -5.226688      2.371889
  C      -8.646343     -5.342884      2.398436
  C      -7.992460     -5.024985      3.756080
  C      -8.263100     -3.585477      4.172814
  N      -7.772281     -3.286702      5.497644
  C      -7.413929     -2.031964      5.924743
  C      -7.516311     -0.892962      5.093469
  C      -7.040612      0.338870      5.548189
  C      -6.474829      0.490017      6.812141
  C      -6.408144     -0.634441      7.653599
  S      -5.706440     -0.565758      9.280333
  C      -6.879958     -1.873666      7.221815
  C      -1.312125     -2.873401      6.648266
  C      -2.697844     -2.355218      6.260810
  C      -3.868874     -3.349613      6.256442
  C      -4.122621     -3.991370      7.625981
  N      -5.293378     -4.843615      7.548504
  C      -5.661094     -5.696665      8.577143
  C      -6.590048     -6.729396      8.326111
  C      -6.997288     -7.565541      9.359483
  C      -6.504548     -7.407227     10.657513
  C      -5.583990     -6.382015     10.911096
  S      -4.896732     -6.091711     12.516061
  C      -5.161189     -5.531996      9.878718
  H      -0.557940     -1.517038      0.338213
  H      -1.869936     -0.930806      1.382491
  H      -2.143203     -1.153748     -0.360016
  H      -1.507937     -3.409857      1.656839
  H      -1.794023     -3.649328     -0.073491
  H      -3.843563     -2.280957      1.723807
  H      -4.050867     -2.222358     -0.798053
  H      -4.245794     -3.972589     -0.799190
  H      -6.379515     -3.790029      0.044752
  H      -4.671990     -0.534511      0.534721
  H      -5.832459      1.408224      1.501496
  H      -8.240108      1.311434      2.091969
  H     -10.344445      0.310693      2.328351
  H      -8.375227     -2.766555      0.667060
  H     -10.567887     -5.620458      1.426405
  H     -10.509530     -4.186105      2.462613
  H     -10.625679     -5.803873      3.190652
  H      -8.195111     -4.677070      1.646380
  H      -8.358437     -6.366071      2.109527
  H      -8.457533     -5.676580      4.523052
  H      -9.349861     -3.409827      4.092918
  H      -7.789094     -2.908701      3.447184
  H      -7.742934     -4.035141      6.181186
  H      -7.989127     -0.954702      4.114178
  H      -7.122334      1.207478      4.891205
  H      -6.106880      1.460155      7.146648
  H      -5.356978      0.740244      9.241072
  H      -6.801536     -2.749376      7.869575
  H      -0.906410     -3.575384      5.907422
  H      -1.312912     -3.375528      7.626651
  H      -0.606562     -2.033536      6.717642
  H      -2.988380     -1.547659      6.953168
  H      -2.657476     -1.897439      5.259070
  H      -4.768891     -2.761466      6.036922
  H      -3.240290     -4.546998      7.995554
  H      -4.294080     -3.167281      8.339097
  H      -5.461202     -5.206499      6.612552
  H      -6.994268     -6.858191      7.318759
  H      -7.716178     -8.361200      9.155315
  H      -6.834700     -8.068979     11.458136
  H      -5.564024     -7.083812     13.148315
  H      -4.449861     -4.734595     10.095991
  N      -5.426075     -2.636811      3.569919
  H      -5.702621     -1.646485      3.574675
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.729553581375
  N      -3.883015     -4.340318      1.905266
  C      -3.485630     -5.623901      1.318650
  C      -3.025969     -6.537216      2.438303
  N      -4.034310     -6.494903      3.521234
  C      -5.186252     -7.379715      3.242623
  C      -6.403538     -6.837181      3.958597
  N      -6.556200     -5.396184      3.702515
  Mo     -4.918568     -4.285955      3.575437
  N      -3.816943     -4.376672      5.197440
  C      -2.833235     -5.451601      5.362430
  C      -3.433385     -6.748782      4.852913
  H      -2.549944     -5.564264      6.418161
  H      -1.906492     -5.212719      4.811770
  H      -4.231402     -7.076080      5.533225
  H      -2.683724     -7.555992      4.795054
  H      -7.293095     -7.383027      3.605091
  H      -6.340823     -7.022989      5.047778
  H      -5.369980     -7.363754      2.159383
  H      -4.966173     -8.419285      3.539901
  H      -2.665049     -5.487703      0.599785
  H      -4.325066     -6.075861      0.759749
  H      -2.079724     -6.154608      2.844191
  H      -2.863113     -7.572359      2.093514
  C      -1.638735     -1.592789      0.486182
  C      -2.063705     -3.034221      0.774113
  C      -3.567287     -3.149403      1.090581
  C      -4.417196     -3.085572     -0.198557
  N      -5.839750     -2.945203      0.006420
  C      -6.431513     -1.822096      0.549824
  C      -5.717624     -0.627218      0.782051
  C      -6.374134      0.477207      1.328247
  C      -7.726145      0.437903      1.664444
  C      -8.443984     -0.745992      1.422941
  S     -10.162619     -0.920509      1.818428
  C      -7.804872     -1.855985      0.869331
  C     -10.176695     -5.215860      2.382162
  C      -8.652619     -5.327467      2.399099
  C      -7.992117     -5.018009      3.755028
  C      -8.255411     -3.579679      4.179963
  N      -7.741193     -3.289556      5.497604
  C      -7.404097     -2.029315      5.930153
  C      -7.489286     -0.893681      5.092864
  C      -7.025315      0.340203      5.553362
  C      -6.487358      0.497561      6.828473
  C      -6.437352     -0.623750      7.675274
  S      -5.763194     -0.551704      9.313451
  C      -6.899639     -1.864811      7.237960
  C      -1.330177     -2.851967      6.642048
  C      -2.718317     -2.337644      6.258918
  C      -3.883516     -3.337773      6.256201
  C      -4.136065     -3.975116      7.628012
  N      -5.306101     -4.828596      7.552198
  C      -5.661700     -5.696461      8.571699
  C      -6.588438     -6.729964      8.315373
  C      -6.980701     -7.583251      9.340422
  C      -6.475442     -7.440928     10.635678
  C      -5.559019     -6.413548     10.894699
  S      -4.857576     -6.142376     12.497124
  C      -5.151117     -5.546659      9.870480
  H      -0.559214     -1.538660      0.290880
  H      -1.858530     -0.938335      1.342598
  H      -2.149797     -1.179541     -0.395174
  H      -1.501157     -3.413984      1.641672
  H      -1.796717     -3.672395     -0.084534
  H      -3.836753     -2.290703      1.715956
  H      -4.052041     -2.239121     -0.801916
  H      -4.250394     -3.990368     -0.801232
  H      -6.381890     -3.800948      0.048215
  H      -4.660681     -0.551655      0.530687
  H      -5.810996      1.397074      1.498794
  H      -8.216417      1.311746      2.093842
  H     -10.328473      0.322888      2.324309
  H      -8.376498     -2.763063      0.660594
  H     -10.579057     -5.591937      1.431493
  H     -10.520935     -4.179217      2.496427
  H     -10.624642     -5.811262      3.192080
  H      -8.206912     -4.655363      1.649257
  H      -8.364659     -6.347586      2.099121
  H      -8.452061     -5.673810      4.521426
  H      -9.342134     -3.396793      4.111690
  H      -7.784310     -2.902904      3.453542
  H      -7.802896     -4.015503      6.203281
  H      -7.936905     -0.961055      4.102279
  H      -7.095997      1.205992      4.891334
  H      -6.127020      1.469531      7.165894
  H      -5.428370      0.758256      9.283189
  H      -6.834221     -2.736473      7.892488
  H      -0.929048     -3.560120      5.904318
  H      -1.325180     -3.346232      7.624621
  H      -0.623741     -2.011923      6.700121
  H      -3.010656     -1.533016      6.953959
  H      -2.682183     -1.877776      5.257891
  H      -4.786311     -2.755284      6.033500
  H      -3.254031     -4.529974      7.999127
  H      -4.305875     -3.149500      8.339928
  H      -5.485125     -5.177639      6.613146
  H      -7.001959     -6.847493      7.310367
  H      -7.697342     -8.379731      9.131778
  H      -6.792851     -8.116189     11.430082
  H      -5.517896     -7.143393     13.122576
  H      -4.444279     -4.746645     10.092330
  N      -5.414537     -2.630289      3.556518
  H      -5.669165     -1.634368      3.547519
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.729475007671
  N      -3.879799     -4.338021      1.884190
  C      -3.474917     -5.615224      1.289537
  C      -3.000001     -6.526602      2.404128
  N      -4.005043     -6.501134      3.490107
  C      -5.151777     -7.390194      3.203890
  C      -6.374718     -6.863389      3.921788
  N      -6.533861     -5.420037      3.687476
  Mo     -4.901916     -4.299014      3.560904
  N      -3.788406     -4.393668      5.177795
  C      -2.804282     -5.468111      5.337453
  C      -3.401862     -6.763056      4.818217
  H      -2.524645     -5.589101      6.393510
  H      -1.875524     -5.225305      4.791683
  H      -4.199396     -7.097024      5.495939
  H      -2.649898     -7.567606      4.753600
  H      -7.259212     -7.408454      3.554242
  H      -6.317747     -7.065963      5.008821
  H      -5.333892     -7.369033      2.120491
  H      -4.925623     -8.430646      3.493876
  H      -2.657718     -5.467572      0.568892
  H      -4.311721     -6.070563      0.729902
  H      -2.058677     -6.130181      2.808238
  H      -2.821467     -7.558024      2.055373
  C      -1.667895     -1.565619      0.465235
  C      -2.082631     -3.013742      0.735078
  C      -3.580790     -3.139944      1.072782
  C      -4.446016     -3.077507     -0.205724
  N      -5.866951     -2.939929      0.016096
  C      -6.449629     -1.817950      0.572714
  C      -5.729911     -0.627179      0.807069
  C      -6.377824      0.476785      1.365263
  C      -7.727369      0.441958      1.708764
  C      -8.451898     -0.736674      1.462927
  S     -10.171251     -0.901882      1.859297
  C      -7.821616     -1.846842      0.899434
  C     -10.158486     -5.230754      2.374103
  C      -8.634684     -5.341355      2.390903
  C      -7.972713     -5.051161      3.750597
  C      -8.235534     -3.620133      4.191929
  N      -7.705923     -3.341602      5.506293
  C      -7.392914     -2.075341      5.952179
  C      -7.496047     -0.937100      5.122878
  C      -7.048031      0.300285      5.588002
  C      -6.506234      0.456468      6.860609
  C      -6.440957     -0.668057      7.702688
  S      -5.763578     -0.599998      9.339104
  C      -6.891574     -1.911599      7.260322
  C      -1.294591     -2.889535      6.665354
  C      -2.668195     -2.366769      6.245274
  C      -3.844551     -3.354838      6.236548
  C      -4.105677     -3.989288      7.607514
  N      -5.283595     -4.828770      7.530651
  C      -5.681896     -5.653107      8.569941
  C      -6.639370     -6.661802      8.327454
  C      -7.075557     -7.471868      9.369611
  C      -6.586853     -7.309711     10.668971
  C      -5.639383     -6.307652     10.914700
  S      -4.954428     -6.014525     12.520379
  C      -5.184849     -5.484982      9.873235
  H      -0.597462     -1.507719      0.225328
  H      -1.851261     -0.931613      1.344977
  H      -2.215530     -1.133364     -0.384503
  H      -1.502423     -3.404577      1.585984
  H      -1.827128     -3.634984     -0.139097
  H      -3.849632     -2.285384      1.703203
  H      -4.089402     -2.227546     -0.809614
  H      -4.280416     -3.979534     -0.812097
  H      -6.408438     -3.795782      0.060914
  H      -4.675790     -0.550156      0.547280
  H      -5.809310      1.392486      1.538137
  H      -8.210150      1.314104      2.149651
  H     -10.326088      0.337624      2.378373
  H      -8.400116     -2.747972      0.685581
  H     -10.557985     -5.574408      1.410179
  H     -10.505290     -4.199676      2.523571
  H     -10.607487     -5.854583      3.161827
  H      -8.186972     -4.656201      1.653745
  H      -8.348523     -6.356499      2.073580
  H      -8.422342     -5.723743      4.508477
  H      -9.322499     -3.435217      4.141956
  H      -7.773336     -2.939576      3.461962
  H      -7.731072     -4.080956      6.202743
  H      -7.940308     -1.005943      4.130963
  H      -7.133762      1.167864      4.930237
  H      -6.158789      1.431157      7.200338
  H      -5.441195      0.713398      9.317541
  H      -6.821227     -2.783797      7.913349
  H      -0.900042     -3.642841      5.969980
  H      -1.311988     -3.332377      7.671568
  H      -0.571321     -2.062630      6.688296
  H      -2.965598     -1.550899      6.925173
  H      -2.608230     -1.919274      5.240037
  H      -4.741474     -2.763334      6.013477
  H      -3.229259     -4.553981      7.979582
  H      -4.266216     -3.163148      8.320871
  H      -5.453917     -5.199029      6.598269
  H      -7.040453     -6.795951      7.319326
  H      -7.815797     -8.249324      9.171439
  H      -6.938746     -7.951675     11.476690
  H      -5.641345     -6.989043     13.159091
  H      -4.449250     -4.707527     10.083808
  N      -5.410158     -2.646867      3.563828
  H      -5.662260     -1.649925      3.596990
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.729575998912
  N      -3.878639     -4.343057      1.896233
  C      -3.478716     -5.625626      1.309619
  C      -3.017433     -6.536578      2.430247
  N      -4.027120     -6.497622      3.511519
  C      -5.178186     -7.381570      3.227711
  C      -6.398715     -6.841967      3.940065
  N      -6.549926     -5.399495      3.693208
  Mo     -4.911627     -4.288974      3.566889
  N      -3.806220     -4.381434      5.188414
  C      -2.826583     -5.459101      5.355134
  C      -3.429244     -6.754299      4.843428
  H      -2.547102     -5.573835      6.411706
  H      -1.897008     -5.223576      4.807650
  H      -4.229580     -7.080355      5.521585
  H      -2.680955     -7.562818      4.785676
  H      -7.286004     -7.385702      3.577277
  H      -6.343237     -7.034621      5.028679
  H      -5.357932     -7.365301      2.143831
  H      -4.958910     -8.421508      3.524521
  H      -2.656933     -5.487572      0.592421
  H      -4.316169     -6.077936      0.748326
  H      -2.074001     -6.147945      2.837102
  H      -2.847728     -7.571117      2.086729
  C      -1.636891     -1.592551      0.479286
  C      -2.062143     -3.035489      0.761423
  C      -3.564946     -3.151525      1.081664
  C      -4.415646     -3.089227     -0.207043
  N      -5.838733     -2.953513     -0.001914
  C      -6.432287     -1.833352      0.545889
  C      -5.722248     -0.636973      0.780466
  C      -6.381084      0.462718      1.334440
  C      -7.731434      0.417070      1.674932
  C      -8.445984     -0.768159      1.429429
  S     -10.164326     -0.948505      1.824113
  C      -7.805014     -1.873104      0.868804
  C     -10.178292     -5.193735      2.395791
  C      -8.655127     -5.316873      2.405024
  C      -7.986043     -5.020977      3.759451
  C      -8.244893     -3.586008      4.197570
  N      -7.700161     -3.302164      5.504591
  C      -7.391813     -2.033980      5.944399
  C      -7.489119     -0.898166      5.110247
  C      -7.051306      0.342579      5.578285
  C      -6.526753      0.505801      6.857988
  C      -6.461590     -0.617588      7.701173
  S      -5.799508     -0.542024      9.343728
  C      -6.899272     -1.864895      7.255715
  C      -1.314005     -2.863359      6.646433
  C      -2.697122     -2.345895      6.249663
  C      -3.866408     -3.341713      6.246712
  C      -4.119602     -3.977201      7.619393
  N      -5.293364     -4.823827      7.545635
  C      -5.661356     -5.682955      8.567211
  C      -6.607315     -6.699662      8.312707
  C      -7.013194     -7.545437      9.338479
  C      -6.504273     -7.411671     10.633219
  C      -5.568779     -6.401157     10.890797
  S      -4.862827     -6.140607     12.492939
  C      -5.145916     -5.542051      9.865985
  H      -0.560690     -1.541110      0.265423
  H      -1.839716     -0.944276      1.344321
  H      -2.161406     -1.171367     -0.390373
  H      -1.495847     -3.419099      1.624815
  H      -1.797838     -3.668483     -0.101769
  H      -3.835287     -2.293115      1.706533
  H      -4.052888     -2.238513     -0.805948
  H      -4.244278     -3.990906     -0.812928
  H      -6.378325     -3.811184      0.038966
  H      -4.666712     -0.553783      0.526082
  H      -5.820586      1.383723      1.506960
  H      -8.223170      1.286743      2.110922
  H     -10.339552      0.302190      2.308375
  H      -8.374948     -2.779788      0.654637
  H     -10.586785     -5.547656      1.439406
  H     -10.515148     -4.157267      2.532260
  H     -10.627324     -5.802380      3.195344
  H      -8.207037     -4.642086      1.659218
  H      -8.377262     -6.336811      2.095343
  H      -8.437906     -5.685737      4.522465
  H      -9.332930     -3.403333      4.154860
  H      -7.789487     -2.906024      3.463881
  H      -7.782241     -4.019970      6.216294
  H      -7.922908     -0.970178      4.113875
  H      -7.134422      1.208573      4.917982
  H      -6.188781      1.484057      7.201282
  H      -5.505220      0.778008      9.329664
  H      -6.826272     -2.736308      7.909627
  H      -0.917722     -3.593775      5.928102
  H      -1.316879     -3.332940      7.640982
  H      -0.599431     -2.028991      6.684977
  H      -2.990888     -1.537040      6.939309
  H      -2.653022     -1.890676      5.246870
  H      -4.767296     -2.755795      6.025491
  H      -3.239635     -4.536942      7.988708
  H      -4.282404     -3.151400      8.332851
  H      -5.481796     -5.168518      6.606928
  H      -7.024324     -6.810499      7.308347
  H      -7.745042     -8.328427      9.131166
  H      -6.832879     -8.080538     11.428532
  H      -5.542949     -7.127126     13.120286
  H      -4.423112     -4.755693     10.086929
  N      -5.405724     -2.633064      3.550503
  H      -5.646682     -1.634369      3.551152
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.729466027490
  N      -3.880470     -4.336343      1.894790
  C      -3.474772     -5.618012      1.309559
  C      -3.012603     -6.528870      2.430053
  N      -4.021196     -6.489597      3.512703
  C      -5.170031     -7.378928      3.235672
  C      -6.387631     -6.841162      3.954945
  N      -6.547229     -5.400798      3.699007
  Mo     -4.914059     -4.284911      3.566589
  N      -3.809741     -4.369149      5.187418
  C      -2.822101     -5.440741      5.352464
  C      -3.418014     -6.740178      4.844041
  H      -2.539115     -5.552697      6.408372
  H      -1.895972     -5.197922      4.802462
  H      -4.214372     -7.068829      5.525544
  H      -2.666048     -7.545272      4.786511
  H      -7.275944     -7.391071      3.604970
  H      -6.320006     -7.026351      5.043844
  H      -5.356324     -7.362729      2.152876
  H      -4.945130     -8.417765      3.531843
  H      -2.653519     -5.477566      0.592341
  H      -4.310814     -6.074709      0.749341
  H      -2.067867     -6.142645      2.836101
  H      -2.845944     -7.563715      2.086394
  C      -1.652657     -1.577755      0.474294
  C      -2.069042     -3.021794      0.761819
  C      -3.571877     -3.145014      1.078648
  C      -4.422369     -3.086804     -0.210742
  N      -5.844405     -2.950149     -0.004371
  C      -6.440078     -1.828841      0.538009
  C      -5.731837     -0.629343      0.762763
  C      -6.392369      0.472585      1.308954
  C      -7.742598      0.425968      1.652631
  C      -8.454753     -0.762799      1.418290
  S     -10.168568     -0.949390      1.828529
  C      -7.811342     -1.870575      0.865550
  C     -10.181353     -5.217660      2.418722
  C      -8.657102     -5.329132      2.417722
  C      -7.982909     -5.024934      3.768289
  C      -8.245844     -3.589060      4.204378
  N      -7.718559     -3.303878      5.518352
  C      -7.372459     -2.047987      5.953334
  C      -7.469310     -0.906807      5.124857
  C      -6.996821      0.323579      5.587169
  C      -6.439563      0.471573      6.855529
  C      -6.376438     -0.655932      7.693101
  S      -5.675002     -0.596235      9.320166
  C      -6.845784     -1.893718      7.253687
  C      -1.332933     -2.839615      6.662980
  C      -2.718132     -2.331844      6.259375
  C      -3.881833     -3.333890      6.249154
  C      -4.139243     -3.977023      7.617724
  N      -5.304745     -4.835924      7.531403
  C      -5.679995     -5.692769      8.552801
  C      -6.598160     -6.731749      8.287657
  C      -7.014417     -7.571928      9.313933
  C      -6.541688     -7.410630     10.619079
  C      -5.633907     -6.377540     10.886509
  S      -4.973237     -6.082387     12.501709
  C      -5.202213     -5.523950      9.861081
  H      -0.573810     -1.516920      0.277870
  H      -1.875650     -0.925018      1.331220
  H      -2.167425     -1.167018     -0.406167
  H      -1.504271     -3.399507      1.628809
  H      -1.799167     -3.658031     -0.097504
  H      -3.846210     -2.286811      1.703043
  H      -4.060154     -2.241560     -0.817509
  H      -4.254571     -3.993398     -0.810715
  H      -6.385066     -3.806959      0.036415
  H      -4.675949     -0.549009      0.506321
  H      -5.833481      1.396241      1.474118
  H      -8.236321      1.297807      2.082369
  H     -10.338242      0.291293      2.339575
  H      -8.377967     -2.782630      0.665308
  H     -10.594689     -5.590817      1.471573
  H     -10.523559     -4.181018      2.539772
  H     -10.619869     -5.815403      3.232146
  H      -8.220289     -4.653597      1.665865
  H      -8.371383     -6.347803      2.110912
  H      -8.435053     -5.684633      4.535896
  H      -9.334147     -3.411187      4.149548
  H      -7.786039     -2.905570      3.477302
  H      -7.758054     -4.036566      6.217340
  H      -7.932667     -0.966572      4.141059
  H      -7.075419      1.194826      4.933374
  H      -6.072989      1.441194      7.194759
  H      -5.345897      0.715365      9.296845
  H      -6.769717     -2.771126      7.899216
  H      -0.921528     -3.553968      5.937006
  H      -1.337671     -3.324375      7.650469
  H      -0.629210     -1.997048      6.721079
  H      -3.020626     -1.523395      6.945569
  H      -2.671195     -1.878317      5.255789
  H      -4.784359     -2.752077      6.024120
  H      -3.256621     -4.528420      7.991884
  H      -4.317798     -3.154720      8.330965
  H      -5.468272     -5.193955      6.593081
  H      -6.985691     -6.863476      7.274184
  H      -7.724055     -8.372843      9.098633
  H      -6.877829     -8.075284     11.414494
  H      -5.644050     -7.078635     13.123646
  H      -4.503874     -4.718759     10.089553
  N      -5.415121     -2.631100      3.547910
  H      -5.673093     -1.635947      3.543173
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.729393269989
  N      -3.882000     -4.337993      1.889400
  C      -3.482561     -5.617099      1.294272
  C      -3.010989     -6.533403      2.406520
  N      -4.010158     -6.498725      3.498178
  C      -5.161475     -7.386807      3.227127
  C      -6.373843     -6.852328      3.957896
  N      -6.534605     -5.411120      3.708820
  Mo     -4.902044     -4.294857      3.569514
  N      -3.785104     -4.386561      5.181479
  C      -2.796270     -5.459107      5.333732
  C      -3.396035     -6.755850      4.823133
  H      -2.506176     -5.577467      6.387149
  H      -1.873987     -5.212903      4.778885
  H      -4.187206     -7.087209      5.509409
  H      -2.644971     -7.560963      4.755738
  H      -7.264628     -7.399926      3.610811
  H      -6.298864     -7.042978      5.045482
  H      -5.356342     -7.365556      2.145901
  H      -4.934392     -8.427072      3.516551
  H      -2.667213     -5.473140      0.570957
  H      -4.323505     -6.070435      0.738810
  H      -2.062631     -6.149260      2.805896
  H      -2.847619     -7.566730      2.056699
  C      -1.662976     -1.574315      0.467323
  C      -2.079587     -3.019916      0.744502
  C      -3.578925     -3.142058      1.077474
  C      -4.444826     -3.073448     -0.200964
  N      -5.863622     -2.931277      0.024945
  C      -6.446399     -1.811835      0.585027
  C      -5.728777     -0.618498      0.813918
  C      -6.376648      0.481756      1.377869
  C      -7.723480      0.440040      1.735149
  C      -8.444851     -0.742042      1.497402
  S     -10.155644     -0.921059      1.922083
  C      -7.814126     -1.848464      0.926746
  C     -10.163315     -5.259438      2.412943
  C      -8.638657     -5.363584      2.419989
  C      -7.971068     -5.037282      3.768804
  C      -8.240494     -3.595651      4.180982
  N      -7.735329     -3.288545      5.498784
  C      -7.399818     -2.024874      5.920329
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  C      -7.030574      0.343040      5.524018
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  C      -6.434912     -0.602725      7.652672
  S      -5.761148     -0.514701      9.289957
  C      -6.894203     -1.848645      7.226167
  C      -1.297779     -2.879198      6.674810
  C      -2.677068     -2.362562      6.262937
  C      -3.848707     -3.356115      6.248092
  C      -4.111706     -4.003004      7.613541
  N      -5.281326     -4.855485      7.522010
  C      -5.675179     -5.697536      8.548947
  C      -6.598576     -6.732299      8.285425
  C      -7.035051     -7.555224      9.317444
  C      -6.577183     -7.381399     10.626271
  C      -5.663094     -6.353369     10.891950
  S      -5.019151     -6.043528     12.511077
  C      -5.211512     -5.516689      9.860963
  H      -0.586710     -1.514001      0.256754
  H      -1.872751     -0.930721      1.334504
  H      -2.189278     -1.152696     -0.401046
  H      -1.505491     -3.407957      1.600780
  H      -1.821860     -3.648194     -0.124369
  H      -3.844015     -2.286479      1.709337
  H      -4.086363     -2.228103     -0.809923
  H      -4.288446     -3.978547     -0.806025
  H      -6.408522     -3.785103      0.064856
  H      -4.676009     -0.541017      0.545165
  H      -5.810333      1.400089      1.546218
  H      -8.207313      1.309996      2.179585
  H     -10.308250      0.309353      2.462628
  H      -8.388357     -2.755389      0.724965
  H     -10.570488     -5.648794      1.469601
  H     -10.510361     -4.222583      2.516691
  H     -10.603096     -5.846890      3.233245
  H      -8.201540     -4.696262      1.660939
  H      -8.346979     -6.385191      2.129345
  H      -8.425155     -5.687254      4.543736
  H      -9.328201     -3.420951      4.109670
  H      -7.772861     -2.922382      3.448824
  H      -7.760788     -4.016986      6.204119
  H      -7.945271     -0.971688      4.086976
  H      -7.103545      1.204426      4.856682
  H      -6.130774      1.486892      7.125684
  H      -5.427245      0.795322      9.248245
  H      -6.825638     -2.715978      7.885947
  H      -0.888253     -3.600186      5.954514
  H      -1.311242     -3.358761      7.664432
  H      -0.588176     -2.041788      6.732152
  H      -2.977330     -1.551187      6.946682
  H      -2.621640     -1.910296      5.259376
  H      -4.746960     -2.766881      6.025502
  H      -3.232141     -4.560301      7.987104
  H      -4.287769     -3.182494      8.329320
  H      -5.436488     -5.222238      6.585598
  H      -6.974126     -6.874179      7.268804
  H      -7.748786     -8.352923      9.103591
  H      -6.928940     -8.033238     11.425722
  H      -5.697300     -7.033124     13.135752
  H      -4.507971     -4.715424     10.087079
  N      -5.404345     -2.641241      3.564435
  H      -5.664544     -1.646458      3.575058
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.729312218495
  N      -3.874573     -4.332692      1.887173
  C      -3.477232     -5.607320      1.281437
  C      -3.002154     -6.530437      2.386244
  N      -4.002014     -6.507398      3.477026
  C      -5.153878     -7.389471      3.190883
  C      -6.369128     -6.863731      3.922083
  N      -6.524914     -5.417975      3.699643
  Mo     -4.889488     -4.302063      3.568996
  N      -3.765154     -4.411689      5.177316
  C      -2.785224     -5.492355      5.322340
  C      -3.392936     -6.780995      4.800157
  H      -2.496836     -5.620742      6.375110
  H      -1.860310     -5.250664      4.769770
  H      -4.188125     -7.114084      5.481081
  H      -2.645985     -7.589367      4.726235
  H      -7.258528     -7.402635      3.557282
  H      -6.304426     -7.074748      5.006880
  H      -5.343463     -7.356833      2.109010
  H      -4.929917     -8.433437      3.469518
  H      -2.662930     -5.457713      0.557949
  H      -4.318792     -6.054837      0.722779
  H      -2.055906     -6.144025      2.788511
  H      -2.832995     -7.560236      2.028364
  C      -1.661945     -1.552377      0.485836
  C      -2.074529     -3.001529      0.752266
  C      -3.574412     -3.131755      1.080619
  C      -4.433061     -3.070711     -0.202610
  N      -5.855923     -2.939101      0.010699
  C      -6.452357     -1.815104      0.547760
  C      -5.748951     -0.610772      0.762481
  C      -6.414094      0.495527      1.294930
  C      -7.765008      0.450112      1.632422
  C      -8.471686     -0.744216      1.411684
  S     -10.191471     -0.923489      1.799384
  C      -7.824190     -1.856444      0.872663
  C     -10.156027     -5.230397      2.407266
  C      -8.631947     -5.340218      2.415121
  C      -7.963110     -5.046846      3.770470
  C      -8.233136     -3.616469      4.213721
  N      -7.704612     -3.333015      5.526898
  C      -7.406014     -2.064539      5.973206
  C      -7.513444     -0.927209      5.142666
  C      -7.085120      0.315540      5.612784
  C      -6.561659      0.478692      6.892546
  C      -6.492190     -0.645188      7.734952
  S      -5.841457     -0.566495      9.381721
  C      -6.920452     -1.894673      7.286896
  C      -1.243403     -2.949877      6.660689
  C      -2.611575     -2.405985      6.248814
  C      -3.803052     -3.376356      6.240897
  C      -4.071854     -4.008851      7.611496
  N      -5.268961     -4.820709      7.538079
  C      -5.677708     -5.643680      8.574096
  C      -6.659664     -6.629002      8.332554
  C      -7.106422     -7.435616      9.373025
  C      -6.603778     -7.293524     10.669374
  C      -5.630688     -6.315776     10.913895
  S      -4.928288     -6.047766     12.516376
  C      -5.166678     -5.495740      9.874631
  H      -0.588286     -1.490065      0.261492
  H      -1.860903     -0.917866      1.362005
  H      -2.199407     -1.123465     -0.372038
  H      -1.499172     -3.391422      1.606809
  H      -1.811915     -3.622096     -0.120442
  H      -3.848080     -2.278720      1.710966
  H      -4.076044     -2.221170     -0.806913
  H      -4.261571     -3.973149     -0.806985
  H      -6.392720     -3.797905      0.059559
  H      -4.695490     -0.524285      0.503366
  H      -5.858826      1.422474      1.449843
  H      -8.262486      1.325450      2.049787
  H     -10.376601      0.336813      2.254456
  H      -8.389144     -2.770239      0.677264
  H     -10.561343     -5.582948      1.449011
  H     -10.501368     -4.197482      2.548979
  H     -10.600171     -5.846932      3.203483
  H      -8.190066     -4.656323      1.673726
  H      -8.345741     -6.355866      2.099413
  H      -8.409895     -5.718949      4.530163
  H      -9.321822     -3.440934      4.165060
  H      -7.777991     -2.930808      3.484286
  H      -7.742461     -4.066555      6.227281
  H      -7.948628     -0.999672      4.147130
  H      -7.173810      1.182190      4.954070
  H      -6.231066      1.458078      7.237522
  H      -5.543278      0.752753      9.366177
  H      -6.845499     -2.766803      7.939610
  H      -0.857316     -3.696070      5.953397
  H      -1.264977     -3.408563      7.659533
  H      -0.511359     -2.130928      6.696641
  H      -2.893710     -1.587817      6.932279
  H      -2.549433     -1.956316      5.244759
  H      -4.690898     -2.770304      6.021525
  H      -3.206332     -4.592692      7.979233
  H      -4.212641     -3.180266      8.326448
  H      -5.458211     -5.176687      6.603638
  H      -7.072507     -6.745755      7.327093
  H      -7.866493     -8.194133      9.176007
  H      -6.965089     -7.931879     11.475852
  H      -5.644879     -6.998915     13.157594
  H      -4.412536     -4.735699     10.084134
  N      -5.390012     -2.647913      3.584214
  H      -5.637541     -1.651224      3.617718
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.728740705978
  N      -3.859787     -4.326442      1.887640
  C      -3.448156     -5.603517      1.297401
  C      -2.988684     -6.516165      2.417455
  N      -4.008100     -6.490551      3.489897
  C      -5.152060     -7.377507      3.186714
  C      -6.383094     -6.850356      3.889579
  N      -6.537346     -5.405910      3.657661
  Mo     -4.902953     -4.286699      3.551207
  N      -3.806783     -4.383417      5.180496
  C      -2.828152     -5.460686      5.351810
  C      -3.423607     -6.754142      4.826182
  H      -2.559679     -5.580468      6.410683
  H      -1.892998     -5.222360      4.814979
  H      -4.230858     -7.085644      5.493508
  H      -2.673046     -7.560813      4.771390
  H      -7.263517     -7.393922      3.509642
  H      -6.340939     -7.055130      4.976684
  H      -5.319752     -7.355036      2.101047
  H      -4.931141     -8.418542      3.478557
  H      -2.622215     -5.456927      0.586701
  H      -4.278693     -6.057567      0.727585
  H      -2.052212     -6.121027      2.834097
  H      -2.806757     -7.547520      2.070338
  C      -1.652116     -1.547783      0.468445
  C      -2.060712     -2.997030      0.744358
  C      -3.560024     -3.129932      1.075096
  C      -4.421172     -3.074961     -0.206018
  N      -5.844824     -2.972134      0.015541
  C      -6.452685     -1.871250      0.586588
  C      -5.765771     -0.662158      0.823855
  C      -6.438936      0.415630      1.403815
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  C      -8.472054     -0.864235      1.523684
  S     -10.178792     -1.089538      1.946372
  C      -7.817369     -1.946517      0.936042
  C     -10.175338     -5.182348      2.379315
  C      -8.652183     -5.305391      2.380354
  C      -7.974579     -5.031892      3.735519
  C      -8.226245     -3.603974      4.194758
  N      -7.639561     -3.336056      5.485959
  C      -7.325701     -2.068818      5.929774
  C      -7.438480     -0.928261      5.104893
  C      -6.990271      0.309121      5.570878
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  C      -6.352608     -0.665348      7.673199
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  C      -1.318461     -2.877225      6.671425
  C      -2.691249     -2.353662      6.248690
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  C      -4.136490     -3.968866      7.609653
  N      -5.322842     -4.794999      7.534658
  C      -5.717731     -5.631340      8.564233
  C      -6.695674     -6.619996      8.319444
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  C      -6.611107     -7.316001     10.646051
  C      -5.643852     -6.333589     10.894092
  S      -4.927620     -6.082245     12.493376
  C      -5.195394     -5.496539      9.861745
  H      -0.580331     -1.485648      0.235317
  H      -1.844759     -0.909264      1.342948
  H      -2.195789     -1.123784     -0.388065
  H      -1.482929     -3.379749      1.600453
  H      -1.796696     -3.621177     -0.125268
  H      -3.836683     -2.276540      1.703518
  H      -4.081635     -2.210296     -0.798746
  H      -4.235234     -3.966827     -0.821747
  H      -6.363621     -3.842697      0.058818
  H      -4.717853     -0.550140      0.551885
  H      -5.896553      1.347168      1.576849
  H      -8.283434      1.188057      2.224549
  H     -10.379085      0.157048      2.431678
  H      -8.370414     -2.863490      0.722074
  H     -10.586983     -5.510912      1.415349
  H     -10.512863     -4.150418      2.544498
  H     -10.621435     -5.812074      3.163751
  H      -8.207216     -4.617982      1.643975
  H      -8.377083     -6.319986      2.051215
  H      -8.418016     -5.709493      4.492096
  H      -9.314697     -3.419447      4.184903
  H      -7.789842     -2.917559      3.455257
  H      -7.713569     -4.056496      6.196256
  H      -7.891634     -0.994216      4.116813
  H      -7.089669      1.178493      4.917215
  H      -6.091141      1.439627      7.180373
  H      -5.357929      0.717267      9.289613
  H      -6.717701     -2.783734      7.878156
  H      -0.921561     -3.627239      5.974064
  H      -1.338677     -3.324890      7.675545
  H      -0.595248     -2.049937      6.700582
  H      -2.989267     -1.537967      6.928333
  H      -2.629232     -1.905959      5.243640
  H      -4.763012     -2.749344      6.007093
  H      -3.266573     -4.540433      7.985603
  H      -4.289841     -3.137950      8.319774
  H      -5.516180     -5.141182      6.597381
  H      -7.118253     -6.726433      7.316787
  H      -7.882210     -8.205671      9.152905
  H      -6.958930     -7.967816     11.447549
  H      -5.637654     -7.041210     13.130061
  H      -4.443947     -4.734503     10.074933
  N      -5.406526     -2.633556      3.545654
  H      -5.645618     -1.634773      3.563760
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.728847768453
  N      -3.903731     -4.350370      1.901698
  C      -3.490274     -5.635364      1.330251
  C      -3.028011     -6.531600      2.462193
  N      -4.039620     -6.487711      3.541235
  C      -5.183729     -7.384225      3.268296
  C      -6.406924     -6.843432      3.974979
  N      -6.569861     -5.405712      3.707095
  Mo     -4.940687     -4.284986      3.570604
  N      -3.840289     -4.353673      5.196253
  C      -2.850101     -5.419075      5.376738
  C      -3.440513     -6.724537      4.876617
  H      -2.574408     -5.520257      6.435510
  H      -1.920542     -5.179787      4.830529
  H      -4.238962     -7.050245      5.557013
  H      -2.685455     -7.527594      4.829133
  H      -7.290562     -7.400244      3.623313
  H      -6.347877     -7.019101      5.066043
  H      -5.364089     -7.384644      2.184516
  H      -4.956591     -8.418139      3.579826
  H      -2.665380     -5.498932      0.616568
  H      -4.321125     -6.100357      0.768937
  H      -2.088196     -6.133148      2.868183
  H      -2.850937     -7.568696      2.130472
  C      -1.636528     -1.621257      0.485643
  C      -2.072166     -3.060381      0.774664
  C      -3.578161     -3.164321      1.083879
  C      -4.414909     -3.094746     -0.213726
  N      -5.835527     -2.928685     -0.024716
  C      -6.406732     -1.795455      0.519468
  C      -5.664303     -0.623191      0.771492
  C      -6.297070      0.490610      1.327796
  C      -7.651920      0.480876      1.654664
  C      -8.399896     -0.679224      1.386033
  S     -10.123883     -0.821255      1.775074
  C      -7.784477     -1.797232      0.823658
  C     -10.222566     -5.241033      2.471896
  C      -8.698129     -5.347606      2.452331
  C      -8.006574     -5.034379      3.792038
  C      -8.263636     -3.595479      4.221107
  N      -7.685226     -3.294643      5.510186
  C      -7.363677     -2.022224      5.922166
  C      -7.476271     -0.898731      5.072362
  C      -7.023356      0.347180      5.512641
  C      -6.466320      0.527644      6.776818
  C      -6.380373     -0.584442      7.632694
  S      -5.661011     -0.490545      9.250323
  C      -6.833461     -1.836482      7.216541
  C      -1.405768     -2.749487      6.676508
  C      -2.805435     -2.284901      6.270599
  C      -3.936629     -3.322394      6.258942
  C      -4.165462     -3.983258      7.623878
  N      -5.295105     -4.886724      7.529370
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  C      -6.531901     -6.826296      8.265310
  C      -6.918075     -7.692456      9.281558
  C      -6.444372     -7.534027     10.586872
  C      -5.567923     -6.476991     10.863825
  S      -4.908509     -6.183666     12.480152
  C      -5.164655     -5.598794      9.847931
  H      -0.558938     -1.577051      0.278682
  H      -1.841104     -0.966271      1.345173
  H      -2.152186     -1.202021     -0.390480
  H      -1.515733     -3.442769      1.644942
  H      -1.805280     -3.700425     -0.082635
  H      -3.846714     -2.303002      1.706593
  H      -4.030933     -2.251937     -0.810265
  H      -4.256239     -4.001521     -0.815916
  H      -6.395465     -3.773891      0.008528
  H      -4.600961     -0.574300      0.537392
  H      -5.711201      1.393028      1.516980
  H      -8.122175      1.360934      2.094099
  H     -10.262608      0.419390      2.295315
  H      -8.378010     -2.684631      0.592940
  H     -10.646542     -5.602462      1.524987
  H     -10.568781     -4.208374      2.612122
  H     -10.648019     -5.851596      3.282369
  H      -8.272549     -4.675743      1.690976
  H      -8.415034     -6.367046      2.145004
  H      -8.442951     -5.691931      4.570521
  H      -9.353659     -3.419555      4.199764
  H      -7.828647     -2.919538      3.473114
  H      -7.769634     -3.995219      6.237141
  H      -7.934956     -0.985277      4.088246
  H      -7.120549      1.204642      4.843277
  H      -6.114159      1.509375      7.097126
  H      -5.370506      0.829619      9.211747
  H      -6.743483     -2.698881      7.879905
  H      -0.979343     -3.467736      5.962911
  H      -1.393742     -3.214464      7.673855
  H      -0.722869     -1.888508      6.714433
  H      -3.133516     -1.487951      6.958439
  H      -2.771996     -1.828287      5.267667
  H      -4.858708     -2.768975      6.040969
  H      -3.262419     -4.503460      7.993068
  H      -4.372994     -3.173547      8.344050
  H      -5.451514     -5.235256      6.586301
  H      -6.919843     -6.957016      7.251699
  H      -7.604830     -8.510864      9.058375
  H      -6.755853     -8.218568     11.375162
  H      -5.549154     -7.205605     13.091912
  H      -4.488610     -4.777264     10.084180
  N      -5.443326     -2.632075      3.537486
  H      -5.685881     -1.632858      3.526991
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.729152714304
  N      -3.876032     -4.346217      1.876531
  C      -3.479014     -5.626039      1.280928
  C      -3.008480     -6.543508      2.392377
  N      -4.009033     -6.508750      3.482276
  C      -5.162705     -7.391445      3.204989
  C      -6.375287     -6.855815      3.933741
  N      -6.529607     -5.411872      3.696252
  Mo     -4.892670     -4.300911      3.558750
  N      -3.770844     -4.400675      5.167503
  C      -2.789877     -5.480734      5.318656
  C      -3.398588     -6.772752      4.807311
  H      -2.498995     -5.601611      6.371409
  H      -1.866448     -5.241546      4.762588
  H      -4.192508     -7.099661      5.492639
  H      -2.652828     -7.582727      4.738997
  H      -7.266677     -7.396971      3.578123
  H      -6.307226     -7.055235      5.020163
  H      -5.353828     -7.366659      2.123205
  H      -4.940429     -8.433441      3.491958
  H      -2.663861     -5.483626      0.557156
  H      -4.321084     -6.077636      0.725792
  H      -2.060392     -6.159965      2.792944
  H      -2.845197     -7.576657      2.041954
  C      -1.649736     -1.588191      0.455387
  C      -2.070207     -3.032808      0.732009
  C      -3.570195     -3.151437      1.063302
  C      -4.434144     -3.083672     -0.216826
  N      -5.853244     -2.937118      0.005174
  C      -6.435082     -1.809535      0.549907
  C      -5.717510     -0.612641      0.759627
  C      -6.365542      0.496746      1.305157
  C      -7.712069      0.460601      1.663916
  C      -8.433707     -0.724801      1.444340
  S     -10.143308     -0.898005      1.876606
  C      -7.803325     -1.839873      0.890228
  C     -10.152992     -5.231717      2.395754
  C      -8.628179     -5.332357      2.405788
  C      -7.966019     -5.037286      3.764077
  C      -8.242189     -3.606203      4.209674
  N      -7.745169     -3.326288      5.537300
  C      -7.448921     -2.062805      5.991721
  C      -7.520828     -0.923037      5.159169
  C      -7.078613      0.311440      5.639361
  C      -6.578639      0.464096      6.930248
  C      -6.552073     -0.659496      7.774854
  S      -5.931302     -0.591300      9.433774
  C      -6.992852     -1.901130      7.317210
  C      -1.259101     -2.910342      6.635441
  C      -2.633735     -2.380954      6.224790
  C      -3.816560     -3.361069      6.226147
  C      -4.080625     -3.990085      7.600166
  N      -5.263743     -4.824934      7.524872
  C      -5.662280     -5.653676      8.560197
  C      -6.608052     -6.672586      8.314302
  C      -7.046464     -7.481623      9.356548
  C      -6.569095     -7.308999     10.658596
  C      -5.633552     -6.296049     10.906748
  S      -4.964143     -5.988395     12.516050
  C      -5.179660     -5.473883      9.865209
  H      -0.574564     -1.531760      0.238246
  H      -1.851695     -0.945746      1.325260
  H      -2.179436     -1.162641     -0.408943
  H      -1.497880     -3.421735      1.589085
  H      -1.812739     -3.661604     -0.136559
  H      -3.834152     -2.294441      1.693778
  H      -4.072755     -2.240597     -0.827148
  H      -4.278341     -3.990550     -0.819269
  H      -6.398426     -3.789888      0.057114
  H      -4.664900     -0.538840      0.489497
  H      -5.799252      1.417701      1.458505
  H      -8.195336      1.337208      2.095759
  H     -10.301660      0.349396      2.374916
  H      -8.378207     -2.749034      0.699617
  H     -10.554924     -5.587506      1.436979
  H     -10.503736     -4.200333      2.535616
  H     -10.594853     -5.849837      3.192132
  H      -8.189887     -4.646052      1.664286
  H      -8.333531     -6.346139      2.091626
  H      -8.422093     -5.706280      4.521557
  H      -9.330380     -3.434619      4.137491
  H      -7.773880     -2.913981      3.495944
  H      -7.831983     -4.053473      6.240564
  H      -7.936822     -0.987886      4.154980
  H      -7.131644      1.180551      4.980265
  H      -6.230055      1.434949      7.280700
  H      -5.616906      0.724208      9.426192
  H      -6.943747     -2.776508      7.968194
  H      -0.867735     -3.653286      5.927411
  H      -1.271409     -3.368242      7.635205
  H      -0.535835     -2.083456      6.668578
  H      -2.920980     -1.559126      6.901648
  H      -2.577955     -1.939886      5.216287
  H      -4.708680     -2.763757      6.002422
  H      -3.207503     -4.556740      7.974479
  H      -4.238856     -3.159665      8.308779
  H      -5.439071     -5.188517      6.590896
  H      -6.999097     -6.813285      7.303531
  H      -7.777397     -8.267150      9.156191
  H      -6.922424     -7.949787     11.466250
  H      -5.657976     -6.956887     13.156328
  H      -4.460208     -4.683489     10.077300
  N      -5.382828     -2.643590      3.556855
  H      -5.625294     -1.643892      3.569628
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.729535106101
  N      -3.878967     -4.335791      1.885286
  C      -3.474469     -5.611892      1.287244
  C      -3.007224     -6.531070      2.398909
  N      -4.014197     -6.504740      3.483214
  C      -5.162573     -7.390807      3.195084
  C      -6.382648     -6.862270      3.916061
  N      -6.539545     -5.418087      3.683145
  Mo     -4.906228     -4.299988      3.560111
  N      -3.792251     -4.401139      5.175612
  C      -2.810075     -5.478408      5.330764
  C      -3.412042     -6.770808      4.811436
  H      -2.526091     -5.600116      6.385342
  H      -1.883292     -5.236895      4.781093
  H      -4.209892     -7.102792      5.489718
  H      -2.662945     -7.577962      4.745585
  H      -7.269108     -7.405661      3.550577
  H      -6.323905     -7.065300      5.002512
  H      -5.345719     -7.365521      2.111959
  H      -4.938363     -8.432444      3.481988
  H      -2.655088     -5.464463      0.569325
  H      -4.311378     -6.063192      0.724351
  H      -2.063702     -6.143528      2.806592
  H      -2.835752     -7.562151      2.046035
  C      -1.646016     -1.564674      0.496122
  C      -2.065844     -3.012027      0.762874
  C      -3.568525     -3.136223      1.081320
  C      -4.419758     -3.065034     -0.206477
  N      -5.842681     -2.932316      0.001558
  C      -6.436755     -1.815637      0.556235
  C      -5.728868     -0.618147      0.792255
  C      -6.388728      0.478290      1.351159
  C      -7.737893      0.428217      1.696156
  C      -8.449850     -0.758686      1.451121
  S     -10.166517     -0.945596      1.850672
  C      -7.807836     -1.860014      0.884524
  C     -10.175717     -5.233544      2.406283
  C      -8.651154     -5.339076      2.406396
  C      -7.976592     -5.045921      3.759082
  C      -8.241528     -3.614205      4.204259
  N      -7.693457     -3.329639      5.509725
  C      -7.386665     -2.060520      5.947860
  C      -7.481274     -0.926489      5.110580
  C      -7.045063      0.315139      5.577492
  C      -6.525755      0.480920      6.859050
  C      -6.465456     -0.639968      7.705743
  S      -5.813003     -0.559172      9.351962
  C      -6.901039     -1.888364      7.261389
  C      -1.285143     -2.907620      6.641838
  C      -2.661167     -2.379068      6.235305
  C      -3.840940     -3.362312      6.235446
  C      -4.097837     -3.993800      7.609251
  N      -5.285470     -4.820487      7.541213
  C      -5.677839     -5.653879      8.574364
  C      -6.645430     -6.653438      8.333453
  C      -7.075231     -7.470869      9.372541
  C      -6.569497     -7.324777     10.667265
  C      -5.612354     -6.331290     10.910925
  S      -4.907902     -6.057114     12.511542
  C      -5.165531     -5.501015      9.872686
  H      -0.570386     -1.506500      0.281038
  H      -1.849955     -0.927300      1.369047
  H      -2.173789     -1.135190     -0.367537
  H      -1.498649     -3.402883      1.622386
  H      -1.799306     -3.635244     -0.106789
  H      -3.841768     -2.284288      1.713853
  H      -4.058598     -2.210409     -0.800765
  H      -4.248483     -3.962692     -0.818373
  H      -6.380735     -3.791133      0.040400
  H      -4.674423     -0.532240      0.534907
  H      -5.830275      1.400645      1.523281
  H      -8.230954      1.296125      2.134108
  H     -10.349169      0.308535      2.323182
  H      -8.376144     -2.767531      0.669539
  H     -10.584939     -5.581393      1.447924
  H     -10.523906     -4.202719      2.555970
  H     -10.613781     -5.856111      3.201005
  H      -8.215507     -4.654464      1.662106
  H      -8.363340     -6.353768      2.088488
  H      -8.422452     -5.715559      4.521344
  H      -9.331023     -3.439647      4.166932
  H      -7.794514     -2.927920      3.471493
  H      -7.770310     -4.047678      6.221869
  H      -7.913175     -1.000767      4.113678
  H      -7.125389      1.179944      4.915278
  H      -6.187509      1.459435      7.200921
  H      -5.528698      0.763042      9.339222
  H      -6.834355     -2.757900      7.918392
  H      -0.896270     -3.652555      5.934436
  H      -1.295031     -3.363288      7.642690
  H      -0.561009     -2.081058      6.670605
  H      -2.948826     -1.561350      6.916890
  H      -2.608572     -1.933153      5.228774
  H      -4.736141     -2.767638      6.015682
  H      -3.224660     -4.565569      7.976345
  H      -4.246513     -3.164346      8.321558
  H      -5.479644     -5.170622      6.605772
  H      -7.060228     -6.773030      7.329204
  H      -7.823632     -8.240846      9.175862
  H      -6.917255     -7.971023     11.473079
  H      -5.613856     -7.015378     13.153865
  H      -4.425848     -4.727440     10.082284
  N      -5.406630     -2.645817      3.563826
  H      -5.650072     -1.647958      3.582355
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.729395048902
  N      -3.878708     -4.342380      1.881612
  C      -3.472586     -5.625941      1.301231
  C      -3.009817     -6.531082      2.426122
  N      -4.019430     -6.488420      3.507754
  C      -5.167692     -7.379215      3.231429
  C      -6.388236     -6.840162      3.944893
  N      -6.545803     -5.400168      3.687131
  Mo     -4.912499     -4.284890      3.552284
  N      -3.807163     -4.362076      5.174239
  C      -2.821378     -5.433594      5.345971
  C      -3.418836     -6.733995      4.840936
  H      -2.543177     -5.542514      6.403678
  H      -1.892706     -5.194311      4.798595
  H      -4.217979     -7.057114      5.521839
  H      -2.668719     -7.541201      4.788879
  H      -7.275098     -7.390150      3.590999
  H      -6.326486     -7.024440      5.034590
  H      -5.350864     -7.367995      2.148029
  H      -4.943159     -8.416807      3.532336
  H      -2.651024     -5.487673      0.583967
  H      -4.308061     -6.085008      0.742289
  H      -2.066164     -6.141081      2.831048
  H      -2.840758     -7.567188      2.087219
  C      -1.655037     -1.586616      0.450027
  C      -2.070625     -3.031299      0.735648
  C      -3.571898     -3.153797      1.060973
  C      -4.429998     -3.099958     -0.222713
  N      -5.850506     -2.964054     -0.003712
  C      -6.437723     -1.844409      0.551735
  C      -5.724794     -0.647427      0.774471
  C      -6.376660      0.452929      1.334379
  C      -7.722698      0.407386      1.693176
  C      -8.439691     -0.778987      1.461320
  S     -10.149767     -0.964336      1.888122
  C      -7.804905     -1.885255      0.895853
  C     -10.179795     -5.204827      2.402810
  C      -8.655508     -5.314675      2.402731
  C      -7.980580     -5.021090      3.755843
  C      -8.235909     -3.586585      4.197869
  N      -7.701988     -3.312310      5.511451
  C      -7.358773     -2.057549      5.958464
  C      -7.455116     -0.908882      5.140724
  C      -6.991845      0.319166      5.618027
  C      -6.441464      0.456831      6.890313
  C      -6.376116     -0.679076      7.716461
  S      -5.682838     -0.634032      9.347357
  C      -6.839864     -1.913759      7.262877
  C      -1.345297     -2.806827      6.678346
  C      -2.729401     -2.316562      6.250611
  C      -3.885283     -3.328356      6.236723
  C      -4.135813     -3.977771      7.602909
  N      -5.286065     -4.854025      7.510207
  C      -5.674687     -5.693545      8.539943
  C      -6.589587     -6.736484      8.278633
  C      -7.021122     -7.559213      9.312757
  C      -6.567140     -7.376939     10.621916
  C      -5.661510     -6.341047     10.885407
  S      -5.022235     -6.021313     12.504659
  C      -5.213945     -5.504638      9.852506
  H      -0.579118     -1.526954      0.237331
  H      -1.863877     -0.938333      1.313809
  H      -2.182408     -1.170334     -0.420356
  H      -1.500262     -3.411659      1.597788
  H      -1.806587     -3.664961     -0.127293
  H      -3.844181     -2.293602      1.683290
  H      -4.072929     -2.254918     -0.832827
  H      -4.264943     -4.007058     -0.822456
  H      -6.390088     -3.821373      0.043881
  H      -4.672147     -0.567122      0.506468
  H      -5.814127      1.374538      1.497591
  H      -8.209420      1.277846      2.133334
  H     -10.310610      0.272727      2.410765
  H      -8.375790     -2.794793      0.697278
  H     -10.590884     -5.561766      1.448535
  H     -10.523946     -4.171153      2.541351
  H     -10.619203     -5.817144      3.204712
  H      -8.218525     -4.632554      1.656743
  H      -8.369663     -6.330587      2.087302
  H      -8.434200     -5.683528      4.520234
  H      -9.323402     -3.403024      4.148284
  H      -7.774610     -2.902505      3.472068
  H      -7.741844     -4.050264      6.205525
  H      -7.915163     -0.960300      4.154976
  H      -7.074047      1.196697      4.973111
  H      -6.083472      1.425290      7.241912
  H      -5.363757      0.680259      9.341714
  H      -6.768201     -2.795889      7.902178
  H      -0.922427     -3.536359      5.974624
  H      -1.357459     -3.266968      7.677263
  H      -0.646974     -1.959036      6.722678
  H      -3.047226     -1.504273      6.925266
  H      -2.674007     -1.872154      5.243490
  H      -4.793451     -2.754525      6.012960
  H      -3.245289     -4.516077      7.978596
  H      -4.329757     -3.159540      8.317075
  H      -5.435268     -5.223520      6.573852
  H      -6.962039     -6.885657      7.261718
  H      -7.728309     -8.363147      9.100435
  H      -6.914817     -8.028643     11.423249
  H      -5.694103     -7.013814     13.131423
  H      -4.513744     -4.699390     10.077596
  N      -5.415732     -2.631767      3.531018
  H      -5.670961     -1.635991      3.536855
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.729611664772
  N      -3.881607     -4.342481      1.878744
  C      -3.478588     -5.622435      1.288219
  C      -3.012330     -6.535303      2.405446
  N      -4.018369     -6.500065      3.490485
  C      -5.167645     -7.387881      3.210495
  C      -6.386381     -6.853471      3.929900
  N      -6.543226     -5.411165      3.685506
  Mo     -4.909572     -4.295274      3.553118
  N      -3.796827     -4.385017      5.169698
  C      -2.812852     -5.460013      5.330751
  C      -3.414253     -6.756233      4.819914
  H      -2.529060     -5.575603      6.386068
  H      -1.886377     -5.219998      4.779924
  H      -4.211348     -7.083481      5.501338
  H      -2.665156     -7.563797      4.759260
  H      -7.273928     -7.399383      3.571142
  H      -6.324764     -7.047712      5.017817
  H      -5.352767     -7.369521      2.127557
  H      -4.943273     -8.427638      3.503969
  H      -2.659082     -5.480030      0.569378
  H      -4.316128     -6.076621      0.728449
  H      -2.067626     -6.147428      2.809980
  H      -2.843623     -7.569009      2.059075
  C      -1.641165     -1.583826      0.479864
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  C      -3.567828     -3.147595      1.069345
  C      -4.419203     -3.077608     -0.218422
  N      -5.841247     -2.939701     -0.009123
  C      -6.429821     -1.823642      0.552246
  C      -5.715055     -0.632019      0.796830
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  C      -7.801167     -1.862683      0.879860
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  C      -8.654264     -5.332336      2.406917
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  N      -7.702564     -3.321142      5.511339
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  C      -6.448409     -0.654132      7.718108
  S      -5.775489     -0.590014      9.356817
  C      -6.889290     -1.897944      7.266481
  C      -1.306756     -2.863772      6.648682
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  C      -3.856450     -3.347175      6.229749
  C      -4.110145     -3.984704      7.601219
  N      -5.280346     -4.835431      7.523283
  C      -5.671428     -5.668788      8.556857
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  C      -6.563129     -7.340020     10.649208
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  S      -4.956424     -6.024472     12.508489
  C      -5.183438     -5.494822      9.861567
  H      -0.564858     -1.528383      0.267789
  H      -1.846418     -0.942959      1.349991
  H      -2.165822     -1.156138     -0.386607
  H      -1.499319     -3.419442      1.611707
  H      -1.800233     -3.655996     -0.116819
  H      -3.838332     -2.292019      1.698495
  H      -4.055837     -2.226226     -0.815979
  H      -4.251953     -3.977748     -0.827842
  H      -6.383140     -3.796073      0.026557
  H      -4.659772     -0.551179      0.540156
  H      -5.803949      1.380475      1.546249
  H      -8.204894      1.284032      2.159070
  H     -10.318941      0.293734      2.377241
  H      -8.374318     -2.765868      0.659268
  H     -10.588860     -5.578316      1.451042
  H     -10.524970     -4.192678      2.550341
  H     -10.617260     -5.841862      3.205940
  H      -8.218392     -4.650386      1.660385
  H      -8.367003     -6.348219      2.092323
  H      -8.428047     -5.702122      4.522876
  H      -9.332022     -3.427238      4.158893
  H      -7.791405     -2.916756      3.471965
  H      -7.760690     -4.049006      6.215218
  H      -7.934321     -0.979676      4.137928
  H      -7.135588      1.193404      4.952778
  H      -6.175636      1.450160      7.231847
  H      -5.480272      0.729850      9.349522
  H      -6.813578     -2.774657      7.912900
  H      -0.904325     -3.604177      5.944150
  H      -1.316886     -3.318935      7.649811
  H      -0.593150     -2.028288      6.681510
  H      -2.986417     -1.534918      6.910264
  H      -2.633233     -1.908746      5.225363
  H      -4.757306     -2.761400      6.008497
  H      -3.228573     -4.539982      7.973159
  H      -4.280036     -3.158962      8.313010
  H      -5.454113     -5.196528      6.587990
  H      -7.009321     -6.826540      7.298807
  H      -7.773576     -8.294236      9.145784
  H      -6.910600     -7.986746     11.454693
  H      -5.644836     -6.998870     13.145572
  H      -4.462684     -4.705291     10.076414
  N      -5.409989     -2.641155      3.544753
  H      -5.658098     -1.643822      3.556737
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.729535321282
  N      -3.875372     -4.324091      1.889975
  C      -3.472023     -5.597796      1.286002
  C      -2.998871     -6.520837      2.391856
  N      -4.000676     -6.498083      3.481236
  C      -5.150360     -7.384256      3.197217
  C      -6.366732     -6.859119      3.927914
  N      -6.526323     -5.414684      3.698390
  Mo     -4.894411     -4.295683      3.570272
  N      -3.774664     -4.400325      5.180985
  C      -2.788880     -5.476031      5.326844
  C      -3.390489     -6.767544      4.805082
  H      -2.500871     -5.602778      6.379881
  H      -1.864934     -5.228589      4.775158
  H      -4.184235     -7.102741      5.486573
  H      -2.640778     -7.573488      4.732693
  H      -7.255314     -7.402139      3.567674
  H      -6.299297     -7.064669      5.013455
  H      -5.340538     -7.353539      2.115397
  H      -4.923425     -8.427032      3.477707
  H      -2.656524     -5.446369      0.564355
  H      -4.311192     -6.048738      0.726172
  H      -2.052923     -6.135694      2.796011
  H      -2.830382     -7.550769      2.034336
  C      -1.679260     -1.532316      0.487020
  C      -2.081972     -2.983487      0.756600
  C      -3.581569     -3.122900      1.082258
  C      -4.440546     -3.066484     -0.201462
  N      -5.863607     -2.943372      0.013151
  C      -6.467449     -1.825770      0.555069
  C      -5.773416     -0.615316      0.766346
  C      -6.445019      0.483359      1.305727
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  C      -8.490703     -0.775946      1.435682
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  C      -7.836406     -1.880859      0.889661
  C     -10.161725     -5.236663      2.422358
  C      -8.637263     -5.341787      2.420616
  C      -7.962494     -5.040681      3.771454
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  N      -7.694111     -3.317242      5.518662
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  C      -7.444616     -0.921257      5.112765
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  C      -6.439883      0.471035      6.845301
  C      -6.393274     -0.648294      7.695070
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  C      -6.858034     -1.889114      7.259712
  C      -1.274759     -2.918277      6.686018
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  C      -3.827611     -3.371598      6.250307
  C      -4.093757     -4.016772      7.615933
  N      -5.275473     -4.850763      7.528922
  C      -5.690847     -5.672998      8.562479
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  C      -7.101352     -7.485821      9.346643
  C      -6.635730     -7.316690     10.653446
  C      -5.691022     -6.314456     10.910252
  S      -5.036033     -6.011623     12.526431
  C      -5.217954     -5.497602      9.872912
  H      -0.604399     -1.461285      0.272158
  H      -1.891259     -0.895976      1.358883
  H      -2.212703     -1.110613     -0.376917
  H      -1.506881     -3.368049      1.613747
  H      -1.813477     -3.605195     -0.113634
  H      -3.860748     -2.271287      1.712772
  H      -4.088920     -2.216578     -0.808204
  H      -4.266681     -3.969502     -0.804656
  H      -6.394856     -3.805567      0.061335
  H      -4.721785     -0.521078      0.500149
  H      -5.897226      1.415344      1.458726
  H      -8.295784      1.293780      2.077567
  H     -10.395218      0.277790      2.314311
  H      -8.393421     -2.800668      0.698661
  H     -10.572531     -5.597311      1.469360
  H     -10.508593     -4.203426      2.558620
  H     -10.598692     -5.848433      3.226294
  H      -8.203015     -4.660531      1.672247
  H      -8.348436     -6.358004      2.108970
  H      -8.411793     -5.703562      4.537914
  H      -9.313531     -3.427181      4.157121
  H      -7.768004     -2.924155      3.475555
  H      -7.738364     -4.045628      6.223274
  H      -7.891358     -0.989372      4.122013
  H      -7.046682      1.177747      4.907343
  H      -6.077983      1.443103      7.180622
  H      -5.398621      0.737951      9.308926
  H      -6.798202     -2.759481      7.916185
  H      -0.875416     -3.658291      5.979390
  H      -1.296299     -3.379570      7.683998
  H      -0.552917     -2.090500      6.728752
  H      -2.941285     -1.572321      6.944832
  H      -2.582446     -1.941536      5.260276
  H      -4.721118     -2.774173      6.031137
  H      -3.220216     -4.586270      7.986027
  H      -4.255407     -3.194467      8.333336
  H      -5.443888     -5.214081      6.593653
  H      -7.027023     -6.820547      7.293488
  H      -7.838832     -8.263599      9.139743
  H      -7.004425     -7.952573     11.458223
  H      -5.744426     -6.974002     13.160018
  H      -4.488882     -4.716949     10.092063
  N      -5.397993     -2.642484      3.583627
  H      -5.651430     -1.646772      3.612962
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.729618335366
  N      -3.878815     -4.339369      1.882730
  C      -3.473794     -5.617991      1.290845
  C      -3.005682     -6.531189      2.407009
  N      -4.012049     -6.499184      3.491819
  C      -5.159615     -7.388587      3.209995
  C      -6.379882     -6.856955      3.928776
  N      -6.538908     -5.414632      3.685929
  Mo     -4.907187     -4.295690      3.556934
  N      -3.795548     -4.386147      5.174160
  C      -2.809749     -5.459566      5.334376
  C      -3.408061     -6.756284      4.821091
  H      -2.526222     -5.575919      6.389669
  H      -1.883408     -5.217142      4.784330
  H      -4.204717     -7.086767      5.501427
  H      -2.657060     -7.562013      4.759390
  H      -7.266117     -7.404012      3.568452
  H      -6.319189     -7.052336      5.016565
  H      -5.343764     -7.369623      2.126911
  H      -4.933789     -8.428232      3.502744
  H      -2.654838     -5.473552      0.571769
  H      -4.310745     -6.073113      0.730938
  H      -2.061793     -6.141941      2.812168
  H      -2.834938     -7.564158      2.059421
  C      -1.650429     -1.576501      0.471542
  C      -2.069837     -3.022330      0.746606
  C      -3.571134     -3.143858      1.071992
  C      -4.428520     -3.077569     -0.211979
  N      -5.849790     -2.939548      0.003391
  C      -6.437018     -1.819098      0.557482
  C      -5.724485     -0.621912      0.780624
  C      -6.377068      0.478831      1.339331
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  S     -10.152233     -0.935991      1.884045
  C      -7.805517     -1.858558      0.897031
  C     -10.174078     -5.232292      2.406594
  C      -8.649521     -5.336916      2.406374
  C      -7.975889     -5.042178      3.759109
  C      -8.241465     -3.610211      4.204004
  N      -7.697819     -3.329260      5.512034
  C      -7.382797     -2.065324      5.954924
  C      -7.478930     -0.925758      5.125151
  C      -7.031737      0.310709      5.595737
  C      -6.499038      0.465908      6.873252
  C      -6.436432     -0.660735      7.712186
  S      -5.763058     -0.594698      9.350651
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  C      -1.306913     -2.867618      6.654283
  C      -2.686369     -2.354158      6.239629
  C      -3.856534     -3.348905      6.234846
  C      -4.111660     -3.987090      7.605832
  N      -5.284776     -4.833842      7.527514
  C      -5.679309     -5.667069      8.559683
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  C      -7.060877     -7.500436      9.347981
  C      -6.577804     -7.337968     10.649351
  C      -5.640241     -6.327945     10.901098
  S      -4.964083     -6.033350     12.510240
  C      -5.189872     -5.497790      9.864381
  H      -0.575101     -1.519113      0.255054
  H      -1.853483     -0.934618      1.341425
  H      -2.179305     -1.151365     -0.393608
  H      -1.499665     -3.410034      1.605579
  H      -1.807536     -3.649944     -0.121258
  H      -3.840955     -2.288852      1.702038
  H      -4.068234     -2.227744     -0.813667
  H      -4.263918     -3.979622     -0.819285
  H      -6.390033     -3.796506      0.050071
  H      -4.671984     -0.540321      0.513042
  H      -5.814910      1.400641      1.502620
  H      -8.210220      1.304178      2.135986
  H     -10.322216      0.313430      2.373430
  H      -8.377098     -2.766750      0.693420
  H     -10.583604     -5.582943      1.449328
  H     -10.522314     -4.201080      2.553490
  H     -10.611539     -5.852688      3.203346
  H      -8.214691     -4.652576      1.661225
  H      -8.360397     -6.351591      2.089521
  H      -8.423626     -5.710156      4.522041
  H      -9.330898     -3.435520      4.162919
  H      -7.791966     -2.922813      3.474038
  H      -7.765539     -4.053545      6.218673
  H      -7.920126     -0.991931      4.131670
  H      -7.112077      1.180096      4.939577
  H      -6.151758      1.440214      7.218158
  H      -5.462484      0.723916      9.339565
  H      -6.811210     -2.778779      7.913999
  H      -0.905646     -3.608030      5.949047
  H      -1.317014     -3.323440      7.655145
  H      -0.592339     -2.032934      6.687293
  H      -2.985727     -1.537880      6.917924
  H      -2.632852     -1.909732      5.232441
  H      -4.757075     -2.762646      6.013620
  H      -3.231732     -4.545208      7.977336
  H      -4.278857     -3.161281      8.318260
  H      -5.461943     -5.191452      6.591619
  H      -7.023525     -6.816060      7.300227
  H      -7.793678     -8.283551      9.144789
  H      -6.927929     -7.984434     11.453874
  H      -5.658577     -7.004095     13.146286
  H      -4.465426     -4.712000     10.080309
  N      -5.409540     -2.642183      3.550595
  H      -5.657505     -1.644776      3.563003
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.729601562628
  N      -3.881499     -4.340028      1.877400
  C      -3.480119     -5.619937      1.285622
  C      -3.012241     -6.533317      2.401687
  N      -4.016457     -6.497951      3.488406
  C      -5.166830     -7.384939      3.210089
  C      -6.384168     -6.850494      3.932005
  N      -6.540434     -5.407952      3.689144
  Mo     -4.906411     -4.292970      3.553538
  N      -3.790724     -4.383760      5.168216
  C      -2.807346     -5.459532      5.327300
  C      -3.410347     -6.755069      4.816599
  H      -2.522667     -5.576330      6.382324
  H      -1.881242     -5.219775      4.775762
  H      -4.206775     -7.081908      5.498984
  H      -2.661956     -7.563152      4.754450
  H      -7.272602     -7.395359      3.573894
  H      -6.320936     -7.045926      5.019724
  H      -5.353897     -7.365812      2.127481
  H      -4.942468     -8.425014      3.502454
  H      -2.661762     -5.477445      0.565470
  H      -4.318748     -6.073440      0.727012
  H      -2.066757     -6.145754      2.804644
  H      -2.844369     -7.566975      2.054741
  C      -1.645019     -1.576212      0.483033
  C      -2.065786     -3.022609      0.751815
  C      -3.568960     -3.144707      1.067856
  C      -4.417821     -3.077539     -0.221662
  N      -5.841097     -2.946243     -0.015992
  C      -6.435668     -1.835349      0.549215
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  C      -6.384693      0.445820      1.378962
  C      -7.735828      0.394619      1.716683
  C      -8.450684     -0.785178      1.447896
  S     -10.168477     -0.974519      1.840389
  C      -7.808676     -1.880273      0.868916
  C     -10.178276     -5.218475      2.418216
  C      -8.654170     -5.329328      2.415260
  C      -7.975960     -5.031171      3.765079
  C      -8.235930     -3.596696      4.205847
  N      -7.692604     -3.313569      5.513834
  C      -7.377461     -2.049091      5.957487
  C      -7.478045     -0.907824      5.130459
  C      -7.035436      0.329394      5.603766
  C      -6.502705      0.483320      6.881344
  C      -6.436326     -0.644895      7.717881
  S      -5.766728     -0.579558      9.357833
  C      -6.879317     -1.888484      7.267844
  C      -1.300669     -2.866505      6.657100
  C      -2.678929     -2.353847      6.237619
  C      -3.849808     -3.348343      6.230507
  C      -4.105477     -3.989536      7.599828
  N      -5.274813     -4.840647      7.517172
  C      -5.673412     -5.671337      8.549834
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  C      -7.058359     -7.503086      9.335936
  C      -6.582474     -7.336843     10.639463
  C      -5.646280     -6.326063     10.893526
  S      -4.978467     -6.027144     12.505292
  C      -5.190536     -5.498583      9.856909
  H      -0.568777     -1.518257      0.271152
  H      -1.851842     -0.937030      1.354017
  H      -2.170630     -1.148567     -0.382865
  H      -1.500505     -3.412476      1.613069
  H      -1.798541     -3.648025     -0.116104
  H      -3.842645     -2.289045      1.695579
  H      -4.056733     -2.224161     -0.817709
  H      -4.244817     -3.976270     -0.831476
  H      -6.379526     -3.804901      0.014966
  H      -4.669106     -0.557937      0.556031
  H      -5.823752      1.362935      1.569873
  H      -8.227882      1.256091      2.168359
  H     -10.339697      0.258340      2.369684
  H      -8.378157     -2.783400      0.638817
  H     -10.591067     -5.572233      1.463490
  H     -10.521718     -4.185038      2.560513
  H     -10.616880     -5.833048      3.218888
  H      -8.218145     -4.650015      1.666441
  H      -8.369967     -6.346600      2.102582
  H      -8.423587     -5.695426      4.531334
  H      -9.324751     -3.418935      4.165374
  H      -7.784876     -2.913019      3.473061
  H      -7.750453     -4.040611      6.219039
  H      -7.921780     -0.972348      4.137999
  H      -7.119697      1.200167      4.949956
  H      -6.160164      1.458300      7.228936
  H      -5.467204      0.739367      9.348676
  H      -6.806071     -2.764317      7.915704
  H      -0.897238     -3.608624      5.955067
  H      -1.313962     -3.319720      7.658971
  H      -0.586285     -2.031787      6.690108
  H      -2.980170     -1.537101      6.914520
  H      -2.622509     -1.909884      5.230458
  H      -4.750203     -2.761400      6.010198
  H      -3.224161     -4.545478      7.971781
  H      -4.277116     -3.165748      8.313517
  H      -5.446329     -5.201085      6.581239
  H      -7.009683     -6.824999      7.286185
  H      -7.789702     -8.287151      9.131027
  H      -6.936655     -7.981418     11.443822
  H      -5.671084     -7.000612     13.139266
  H      -4.466471     -4.712710     10.074443
  N      -5.406393     -2.638756      3.546875
  H      -5.654013     -1.641357      3.561999
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.729623443453
  N      -3.881840     -4.341853      1.882086
  C      -3.478881     -5.621979      1.291971
  C      -3.014213     -6.534919      2.409786
  N      -4.021790     -6.499458      3.493364
  C      -5.170649     -7.387245      3.211478
  C      -6.391185     -6.852362      3.927417
  N      -6.546695     -5.410020      3.682752
  Mo     -4.912932     -4.294153      3.554421
  N      -3.803180     -4.384400      5.173087
  C      -2.819236     -5.459139      5.335340
  C      -3.419624     -6.755572      4.823630
  H      -2.536605     -5.574521      6.390969
  H      -1.892117     -5.219155      4.785502
  H      -4.217626     -7.083341      5.503690
  H      -2.670121     -7.562853      4.763974
  H      -7.277795     -7.397955      3.565723
  H      -6.333202     -7.046714      5.015567
  H      -5.353147     -7.369891      2.128089
  H      -4.947131     -8.426793      3.506334
  H      -2.658655     -5.480153      0.573855
  H      -4.316113     -6.075765      0.731413
  H      -2.070028     -6.147111      2.815631
  H      -2.845139     -7.568671      2.063702
  C      -1.640578     -1.584226      0.481650
  C      -2.064608     -3.029242      0.753942
  C      -3.567727     -3.147437      1.072125
  C      -4.418373     -3.079205     -0.216153
  N      -5.840802     -2.942162     -0.008175
  C      -6.430412     -1.824783      0.549527
  C      -5.717790     -0.630385      0.786404
  C      -6.372351      0.466657      1.350119
  C      -7.720832      0.420138      1.698838
  C      -8.438342     -0.762701      1.450043
  S     -10.152900     -0.947081      1.859440
  C      -7.801298     -1.864837      0.879337
  C     -10.177339     -5.213604      2.391922
  C      -8.653278     -5.325470      2.397598
  C      -7.982788     -5.033935      3.752623
  C      -8.244482     -3.601426      4.198409
  N      -7.701235     -3.324021      5.507619
  C      -7.386764     -2.060849      5.954713
  C      -7.475026     -0.919347      5.126847
  C      -7.030669      0.315710      5.604024
  C      -6.507937      0.467556      6.886030
  C      -6.452152     -0.661315      7.722423
  S      -5.790909     -0.600194      9.366009
  C      -6.896420     -1.902994      7.268328
  C      -1.314224     -2.856432      6.643479
  C      -2.696567     -2.347781      6.232582
  C      -3.863593     -3.346187      6.232724
  C      -4.111284     -3.984078      7.605229
  N      -5.279381     -4.837818      7.531541
  C      -5.666421     -5.671860      8.565558
  C      -6.612609     -6.690893      8.320960
  C      -7.038188     -7.509688      9.360718
  C      -6.548982     -7.345827     10.659634
  C      -5.613475     -6.332765     10.906651
  S      -4.929618     -6.036513     12.512258
  C      -5.170855     -5.501178      9.867750
  H      -0.564380     -1.529396      0.268844
  H      -1.844982     -0.942631      1.351423
  H      -2.165418     -1.156986     -0.384937
  H      -1.499365     -3.418694      1.615383
  H      -1.799645     -3.656945     -0.113035
  H      -3.838708     -2.291567      1.700568
  H      -4.055219     -2.227678     -0.813667
  H      -4.250067     -3.979556     -0.824945
  H      -6.381012     -3.799454      0.032614
  H      -4.663302     -0.548260      0.526889
  H      -5.809882      1.386191      1.524774
  H      -8.209086      1.287804      2.142784
  H     -10.322535      0.296735      2.362983
  H      -8.372865     -2.770273      0.663652
  H     -10.584653     -5.560376      1.432291
  H     -10.521272     -4.181078      2.539409
  H     -10.621071     -5.833423      3.185576
  H      -8.212500     -4.643247      1.654018
  H      -8.367839     -6.341515      2.081739
  H      -8.434334     -5.701327      4.513841
  H      -9.333283     -3.423401      4.156461
  H      -7.792034     -2.914690      3.469646
  H      -7.777088     -4.047947      6.214058
  H      -7.908183     -0.982653      4.129652
  H      -7.105599      1.186640      4.949266
  H      -6.163358      1.440916      7.236365
  H      -5.489794      0.718338      9.360970
  H      -6.830709     -2.779305      7.916401
  H      -0.913669     -3.597904      5.938952
  H      -1.319452     -3.309342      7.645689
  H      -0.601705     -2.019824      6.671395
  H      -2.996207     -1.531674      6.910945
  H      -2.647702     -1.904343      5.224732
  H      -4.766885     -2.763067      6.014111
  H      -3.227170     -4.536806      7.974799
  H      -4.280800     -3.158222      8.317156
  H      -5.460056     -5.195196      6.596250
  H      -7.013510     -6.824932      7.312819
  H      -7.769538     -8.295096      9.161180
  H      -6.892788     -7.993537     11.465884
  H      -5.616587     -7.010537     13.151426
  H      -4.447311     -4.713574     10.080115
  N      -5.412896     -2.639967      3.544941
  H      -5.658922     -1.642061      3.555314
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.729608954971
  N      -3.878513     -4.336021      1.880268
  C      -3.474277     -5.612876      1.283745
  C      -3.003270     -6.529768      2.395775
  N      -4.006436     -6.500317      3.483808
  C      -5.154197     -7.390302      3.204735
  C      -6.371420     -6.861249      3.930743
  N      -6.533493     -5.418922      3.689593
  Mo     -4.903481     -4.298030      3.557043
  N      -3.787768     -4.390301      5.170730
  C      -2.799689     -5.462880      5.324703
  C      -3.397643     -6.759306      4.810665
  H      -2.511917     -5.581375      6.378640
  H      -1.875995     -5.217172      4.771762
  H      -4.191505     -7.092042      5.493176
  H      -2.645947     -7.564018      4.744979
  H      -7.259077     -7.408871      3.575057
  H      -6.303911     -7.057573      5.017896
  H      -5.343494     -7.367811      2.122573
  H      -4.925914     -8.430553      3.493319
  H      -2.657474     -5.465900      0.562738
  H      -4.312658     -6.067040      0.725183
  H      -2.057588     -6.143102      2.799156
  H      -2.835140     -7.561874      2.044509
  C      -1.653991     -1.565879      0.478899
  C      -2.070968     -3.012982      0.749610
  C      -3.572422     -3.137911      1.072852
  C      -4.429186     -3.069284     -0.211581
  N      -5.850725     -2.932940      0.002983
  C      -6.440783     -1.814965      0.559013
  C      -5.730859     -0.616825      0.786025
  C      -6.386616      0.481421      1.345497
  C      -7.733762      0.432808      1.699823
  C      -8.447688     -0.754610      1.463968
  S     -10.160200     -0.941380      1.879797
  C      -7.809322     -1.858317      0.897438
  C     -10.171775     -5.246833      2.419305
  C      -8.646988     -5.348310      2.414885
  C      -7.970613     -5.048356      3.765117
  C      -8.239955     -3.616254      4.208533
  N      -7.699763     -3.331411      5.517106
  C      -7.379445     -2.069042      5.957698
  C      -7.487785     -0.928129      5.130805
  C      -7.038866      0.308789      5.598629
  C      -6.493776      0.463330      6.871083
  C      -6.420284     -0.664329      7.707818
  S      -5.735277     -0.597045      9.341458
  C      -6.867674     -1.908230      7.263010
  C      -1.293336     -2.885051      6.654561
  C      -2.670309     -2.365281      6.239198
  C      -3.845297     -3.354495      6.233052
  C      -4.105520     -3.992662      7.603126
  N      -5.282864     -4.833482      7.522432
  C      -5.687736     -5.660054      8.556059
  C      -6.638675     -6.673129      8.305539
  C      -7.083660     -7.482389      9.344589
  C      -6.608831     -7.315195     10.648361
  C      -5.667572     -6.308790     10.901116
  S      -5.001543     -6.008362     12.513325
  C      -5.206242     -5.486294      9.863129
  H      -0.577579     -1.504888      0.269025
  H      -1.864103     -0.925942      1.348602
  H      -2.179198     -1.140657     -0.388414
  H      -1.501539     -3.402251      1.608379
  H      -1.806697     -3.638247     -0.119395
  H      -3.843750     -2.284655      1.704847
  H      -4.069292     -2.219146     -0.812979
  H      -4.264119     -3.970725     -0.819788
  H      -6.390236     -3.790458      0.046532
  H      -4.678055     -0.533182      0.519964
  H      -5.826624      1.404093      1.511335
  H      -8.223699      1.302071      2.138776
  H     -10.334046      0.306586      2.371509
  H      -8.378194     -2.768030      0.693203
  H     -10.583495     -5.605844      1.466064
  H     -10.521010     -4.214860      2.558891
  H     -10.605795     -5.861649      3.222325
  H      -8.216124     -4.665167      1.666484
  H      -8.355857     -6.363243      2.100796
  H      -8.416568     -5.714830      4.530352
  H      -9.330096     -3.446325      4.166772
  H      -7.793487     -2.927437      3.478067
  H      -7.745256     -4.061345      6.219296
  H      -7.941984     -0.993218      4.143123
  H      -7.127596      1.179363      4.945138
  H      -6.145928      1.438058      7.214508
  H      -5.436514      0.721978      9.327924
  H      -6.786473     -2.784320      7.909590
  H      -0.892587     -3.622630      5.946106
  H      -1.306807     -3.346399      7.652857
  H      -0.576630     -2.052472      6.693878
  H      -2.966311     -1.547283      6.916852
  H      -2.613877     -1.921458      5.231875
  H      -4.742702     -2.763762      6.011435
  H      -3.228691     -4.555053      7.975477
  H      -4.270573     -3.166432      8.315421
  H      -5.458044     -5.193315      6.587101
  H      -7.028295     -6.809293      7.293377
  H      -7.818875     -8.263030      9.140621
  H      -6.968288     -7.955253     11.453865
  H      -5.704655     -6.972717     13.149670
  H      -4.479734     -4.702649     10.079852
  N      -5.408244     -2.645235      3.556043
  H      -5.662753     -1.649632      3.570826
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.729633338886
  N      -3.879942     -4.340547      1.880340
  C      -3.477415     -5.619751      1.287937
  C      -3.008884     -6.533374      2.403600
  N      -4.013847     -6.499874      3.489723
  C      -5.162490     -7.388558      3.209957
  C      -6.381578     -6.855634      3.929922
  N      -6.539464     -5.413344      3.686654
  Mo     -4.907212     -4.295636      3.555120
  N      -3.793995     -4.386078      5.171192
  C      -2.808627     -5.460068      5.330339
  C      -3.408376     -6.756621      4.818341
  H      -2.523811     -5.576492      6.385302
  H      -1.882863     -5.218331      4.779035
  H      -4.204484     -7.086166      5.499786
  H      -2.658006     -7.562876      4.756189
  H      -7.268709     -7.401839      3.570492
  H      -6.319934     -7.050717      5.017766
  H      -5.347993     -7.369992      2.127082
  H      -4.937055     -8.428220      3.502955
  H      -2.659341     -5.476382      0.567652
  H      -4.315751     -6.073861      0.729331
  H      -2.063956     -6.145247      2.807375
  H      -2.839935     -7.566634      2.055999
  C      -1.646512     -1.578264      0.476866
  C      -2.067714     -3.024132      0.748454
  C      -3.569799     -3.144952      1.070542
  C      -4.424226     -3.077401     -0.215326
  N      -5.846364     -2.941106     -0.003749
  C      -6.435782     -1.823726      0.554339
  C      -5.724318     -0.627779      0.787340
  C      -6.379132      0.469415      1.350359
  C      -7.726840      0.421800      1.701945
  C      -8.442898     -0.762846      1.458188
  S     -10.156848     -0.947744      1.869427
  C      -7.805574     -1.865331      0.888292
  C     -10.174013     -5.223603      2.406486
  C      -8.649805     -5.332861      2.407607
  C      -7.975857     -5.039142      3.760352
  C      -8.239394     -3.607000      4.206300
  N      -7.693144     -3.326889      5.513618
  C      -7.380710     -2.062578      5.958558
  C      -7.479665     -0.921787      5.130881
  C      -7.036786      0.315258      5.603995
  C      -6.505685      0.469820      6.882138
  C      -6.440519     -0.658118      7.719217
  S      -5.770868     -0.592666      9.359204
  C      -6.883257     -1.901810      7.269181
  C      -1.304462     -2.866581      6.650678
  C      -2.684092     -2.353821      6.235905
  C      -3.853990     -3.349067      6.232037
  C      -4.108061     -3.987578      7.602976
  N      -5.278308     -4.837737      7.523778
  C      -5.675340     -5.668019      8.557045
  C      -6.623794     -6.683925      8.308188
  C      -7.059894     -7.498485      9.346882
  C      -6.579024     -7.333732     10.648805
  C      -5.640713     -6.324283     10.900020
  S      -4.967281     -6.026807     12.509790
  C      -5.187728     -5.496661      9.862370
  H      -0.570781     -1.521442      0.262157
  H      -1.850371     -0.937922      1.347696
  H      -2.173715     -1.150960     -0.388222
  H      -1.499583     -3.413783      1.607913
  H      -1.804208     -3.650497     -0.119926
  H      -3.840370     -2.289807      1.700109
  H      -4.063176     -2.226321     -0.814735
  H      -4.257103     -3.978172     -0.823803
  H      -6.385592     -3.798841      0.039764
  H      -4.670882     -0.544355      0.524280
  H      -5.817713      1.390181      1.521536
  H      -8.215514      1.289821      2.144689
  H     -10.328663      0.298692      2.365749
  H      -8.376183     -2.772251      0.676591
  H     -10.583585     -5.572286      1.448522
  H     -10.519068     -4.191355      2.553650
  H     -10.614408     -5.843156      3.202284
  H      -8.212436     -4.650301      1.662359
  H      -8.363424     -6.348634      2.091808
  H      -8.424271     -5.706843      4.523075
  H      -9.328803     -3.431836      4.168038
  H      -7.791436     -2.919627      3.475314
  H      -7.759338     -4.052254      6.219587
  H      -7.920466     -0.987154      4.137186
  H      -7.119454      1.185540      4.949305
  H      -6.162498      1.444683      7.229378
  H      -5.475295      0.727128      9.351366
  H      -6.809908     -2.777403      7.917375
  H      -0.903719     -3.608596      5.946875
  H      -1.314237     -3.320245      7.652453
  H      -0.589767     -2.031977      6.681509
  H      -2.983442     -1.537120      6.913696
  H      -2.630918     -1.910064      5.228426
  H      -4.755048     -2.763252      6.011786
  H      -3.226685     -4.543186      7.975039
  H      -4.278085     -3.162058      8.315127
  H      -5.455804     -5.195145      6.587929
  H      -7.018159     -6.818667      7.297595
  H      -7.793121     -8.281321      9.144090
  H      -6.931324     -7.978089     11.454109
  H      -5.662503     -6.996709     13.146348
  H      -4.462409     -4.711511     10.077969
  N      -5.408903     -2.641923      3.548731
  H      -5.657060     -1.644661      3.561738
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.729636160270
  N      -3.883121     -4.341165      1.879770
  C      -3.480494     -5.620600      1.287801
  C      -3.014397     -6.534977      2.403949
  N      -4.020530     -6.500426      3.489028
  C      -5.169140     -7.389080      3.208906
  C      -6.388488     -6.855299      3.927821
  N      -6.545663     -5.413144      3.683038
  Mo     -4.913282     -4.295785      3.552922
  N      -3.801953     -4.385725      5.170059
  C      -2.816440     -5.459590      5.329762
  C      -3.416083     -6.756414      4.818374
  H      -2.531562     -5.575313      6.384776
  H      -1.890776     -5.217928      4.778254
  H      -4.212646     -7.085282      5.499596
  H      -2.665866     -7.562905      4.757367
  H      -7.275638     -7.401501      3.568482
  H      -6.327369     -7.049429      5.015797
  H      -5.353982     -7.370758      2.125916
  H      -4.944127     -8.428655      3.502478
  H      -2.661403     -5.477796      0.568588
  H      -4.318463     -6.074216      0.728190
  H      -2.069341     -6.148366      2.808875
  H      -2.846649     -7.568428      2.056412
  C      -1.640820     -1.580864      0.487366
  C      -2.064874     -3.026356      0.756317
  C      -3.568420     -3.145401      1.072090
  C      -4.417574     -3.074550     -0.217093
  N      -5.840230     -2.937352     -0.010743
  C      -6.430117     -1.822008      0.550818
  C      -5.717127     -0.629008      0.793781
  C      -6.371798      0.465788      1.361502
  C      -7.720877      0.418450      1.708235
  C      -8.438626     -0.762929      1.453661
  S     -10.153637     -0.948220      1.860327
  C      -7.801228     -1.863039      0.879302
  C     -10.176056     -5.219579      2.391899
  C      -8.652012     -5.331401      2.397964
  C      -7.981811     -5.037857      3.752642
  C      -8.245292     -3.605392      4.198324
  N      -7.704294     -3.327142      5.508304
  C      -7.387057     -2.065174      5.955521
  C      -7.477596     -0.922597      5.129146
  C      -7.031416      0.311799      5.606392
  C      -6.505082      0.462039      6.887169
  C      -6.447586     -0.667725      7.722257
  S      -5.783355     -0.607852      9.364711
  C      -6.893284     -1.908858      7.268130
  C      -1.310588     -2.859773      6.637608
  C      -2.693002     -2.350105      6.228040
  C      -3.860979     -3.347457      6.229717
  C      -4.108719     -3.984709      7.602551
  N      -5.277415     -4.837615      7.529433
  C      -5.668720     -5.667179      8.565298
  C      -6.616226     -6.685339      8.322011
  C      -7.046399     -7.499153      9.363767
  C      -6.560369     -7.331331     10.663361
  C      -5.623278     -6.319376     10.908984
  S      -4.943235     -6.018290     12.515295
  C      -5.176252     -5.492615      9.868141
  H      -0.563799     -1.524829      0.279161
  H      -1.849319     -0.940529      1.357134
  H      -2.162487     -1.152739     -0.380694
  H      -1.501066     -3.417473      1.617951
  H      -1.798619     -3.652641     -0.111318
  H      -3.840080     -2.290471      1.701699
  H      -4.053511     -2.222585     -0.813351
  H      -4.249241     -3.974180     -0.827019
  H      -6.380497     -3.794698      0.027887
  H      -4.662140     -0.546822      0.536023
  H      -5.809051      1.384207      1.541088
  H      -8.209343      1.284432      2.155245
  H     -10.322369      0.291948      2.373069
  H      -8.372619     -2.767687      0.660041
  H     -10.583204     -5.569200      1.433212
  H     -10.519646     -4.186434      2.536100
  H     -10.620129     -5.836895      3.187335
  H      -8.211400     -4.650328      1.653327
  H      -8.365990     -6.347920      2.084145
  H      -8.433640     -5.704626      4.514197
  H      -9.334420     -3.429448      4.155621
  H      -7.793788     -2.917624      3.470014
  H      -7.772652     -4.053682      6.212612
  H      -7.914900     -0.984361      4.133667
  H      -7.107445      1.183647      4.952990
  H      -6.159210      1.434869      7.237875
  H      -5.480889      0.710380      9.359571
  H      -6.825716     -2.786098      7.914749
  H      -0.910532     -3.599957      5.931480
  H      -1.315361     -3.314617      7.638949
  H      -0.597967     -2.023294      6.666841
  H      -2.991111     -1.533075      6.905943
  H      -2.644735     -1.907601      5.219734
  H      -4.763836     -2.763610      6.011516
  H      -3.224770     -4.537700      7.972122
  H      -4.277924     -3.158303      8.313869
  H      -5.459188     -5.195607      6.594691
  H      -7.014468     -6.822307      7.313251
  H      -7.778784     -8.283856      9.165278
  H      -6.907966     -7.975101     11.471117
  H      -5.632990     -6.989314     13.156050
  H      -4.451828     -4.705608     10.079523
  N      -5.415030     -2.642110      3.544937
  H      -5.665068     -1.645257      3.555217
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7043.239944006445
  N      -3.883020     -4.341846      1.878647
  C      -3.480846     -5.621376      1.286636
  C      -3.013787     -6.535364      2.402725
  N      -4.019450     -6.500825      3.488251
  C      -5.167845     -7.389894      3.208717
  C      -6.387283     -6.856235      3.927577
  N      -6.544683     -5.414191      3.682658
  Mo     -4.912790     -4.296262      3.551952
  N      -3.801012     -4.385510      5.168781
  C      -2.815274     -5.459137      5.328493
  C      -3.414612     -6.756240      4.817491
  H      -2.530108     -5.574605      6.383471
  H      -1.889777     -5.217457      4.776706
  H      -4.210930     -7.085292      5.498914
  H      -2.664087     -7.562441      4.756515
  H      -7.274347     -7.402546      3.568145
  H      -6.326200     -7.050226      5.015612
  H      -5.352840     -7.372116      2.125741
  H      -4.942482     -8.429280      3.502699
  H      -2.662374     -5.478703      0.566685
  H      -4.319236     -6.075177      0.727835
  H      -2.068641     -6.148355      2.807052
  H      -2.845904     -7.568849      2.055335
  C      -1.640545     -1.581731      0.486299
  C      -2.065039     -3.027210      0.754505
  C      -3.568479     -3.146013      1.070976
  C      -4.418229     -3.075054     -0.217784
  N      -5.840935     -2.937559     -0.010936
  C      -6.430077     -1.822072      0.551366
  C      -5.717020     -0.628748      0.792638
  C      -6.371103      0.466256      1.360675
  C      -7.719680      0.418886      1.709237
  C      -8.437517     -0.762811      1.456471
  S     -10.152255     -0.947560      1.864426
  C      -7.800725     -1.863146      0.881832
  C     -10.174915     -5.218400      2.391168
  C      -8.651002     -5.331467      2.397834
  C      -7.980903     -5.039239      3.752761
  C      -8.244488     -3.607414      4.200356
  N      -7.700036     -3.330189      5.509133
  C      -7.385564     -2.067792      5.957926
  C      -7.478296     -0.924397      5.133049
  C      -7.033963      0.310160      5.611540
  C      -6.507336      0.459722      6.892234
  C      -6.447952     -0.670894      7.726058
  S      -5.783639     -0.612046      9.368487
  C      -6.892059     -1.912121      7.270679
  C      -1.310236     -2.858607      6.635946
  C      -2.692698     -2.349243      6.226318
  C      -3.860317     -3.347060      6.228244
  C      -4.108085     -3.983955      7.601199
  N      -5.275618     -4.838066      7.527598
  C      -5.669051     -5.665670      8.563945
  C      -6.617602     -6.682971      8.320851
  C      -7.049725     -7.495110      9.363089
  C      -6.564765     -7.326537     10.663012
  C      -5.626581     -6.315555     10.908458
  S      -4.947924     -6.013501     12.515198
  C      -5.177516     -5.490390      9.867202
  H      -0.563674     -1.526086      0.277142
  H      -1.847919     -0.941964      1.356749
  H      -2.162752     -1.152691     -0.380976
  H      -1.500876     -3.418976      1.615616
  H      -1.799408     -3.653052     -0.113628
  H      -3.839771     -2.291071      1.700656
  H      -4.054270     -2.223161     -0.814210
  H      -4.250221     -3.974715     -0.827718
  H      -6.380686     -3.795131      0.030141
  H      -4.662602     -0.546216      0.532914
  H      -5.808360      1.384921      1.538838
  H      -8.207652      1.285068      2.156374
  H     -10.321379      0.294243      2.373094
  H      -8.372247     -2.767979      0.663728
  H     -10.581748     -5.565411      1.431405
  H     -10.517745     -4.185309      2.537582
  H     -10.620060     -5.837229      3.184854
  H      -8.209508     -4.650271      1.653810
  H      -8.365674     -6.348045      2.083555
  H      -8.432363     -5.707075      4.513565
  H      -9.333853     -3.432179      4.160798
  H      -7.795424     -2.918733      3.471417
  H      -7.769846     -4.056427      6.213681
  H      -7.915662     -0.985631      4.137581
  H      -7.111670      1.182596      4.959111
  H      -6.162914      1.432655      7.243964
  H      -5.484941      0.707063      9.365665
  H      -6.823053     -2.789858      7.916466
  H      -0.910688     -3.599966      5.930776
  H      -1.314897     -3.312002      7.637908
  H      -0.597345     -2.022333      6.663680
  H      -2.990946     -1.532176      6.904123
  H      -2.644588     -1.906889      5.217950
  H      -4.763469     -2.763697      6.010043
  H      -3.223704     -4.535871      7.971506
  H      -4.278561     -3.157414      8.312109
  H      -5.458677     -5.195009      6.592767
  H      -7.014961     -6.820606      7.311826
  H      -7.782928     -8.279096      9.164726
  H      -6.913990     -7.968998     11.471132
  H      -5.639219     -6.983277     13.156196
  H      -4.452166     -4.704148     10.078521
  N      -5.414855     -2.642657      3.543567
  H      -5.664822     -1.645821      3.553604
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.729612742151
  N      -3.881825     -4.350810      1.864427
  C      -3.484694     -5.631704      1.272693
  C      -3.006119     -6.540332      2.388564
  N      -4.006283     -6.505716      3.479292
  C      -5.151887     -7.400072      3.206987
  C      -6.372582     -6.867694      3.924701
  N      -6.532826     -5.427109      3.677472
  Mo     -4.906990     -4.302196      3.539489
  N      -3.790101     -4.382328      5.152826
  C      -2.801608     -5.452910      5.313484
  C      -3.397010     -6.753652      4.807489
  H      -2.513309     -5.564757      6.368167
  H      -1.877961     -5.211225      4.758534
  H      -4.190470     -7.084748      5.491265
  H      -2.642644     -7.556267      4.747332
  H      -7.258451     -7.415675      3.564289
  H      -6.312139     -7.059461      5.013537
  H      -5.338480     -7.389472      2.124173
  H      -4.922231     -8.436971      3.506510
  H      -2.673536     -5.490864      0.544056
  H      -4.327856     -6.088133      0.723623
  H      -2.060131     -6.148057      2.785683
  H      -2.836189     -7.574333      2.043483
  C      -1.636882     -1.594771      0.469539
  C      -2.067301     -3.039675      0.730074
  C      -3.569193     -3.154538      1.056324
  C      -4.427124     -3.081778     -0.226623
  N      -5.850086     -2.939828     -0.012577
  C      -6.428732     -1.822408      0.559501
  C      -5.713631     -0.626316      0.781336
  C      -6.359112      0.471253      1.354722
  C      -7.701276      0.424581      1.726066
  C      -8.421453     -0.759768      1.494024
  S     -10.132571     -0.937005      1.919017
  C      -7.793475     -1.862813      0.914405
  C     -10.161361     -5.204176      2.383062
  C      -8.639093     -5.332069      2.396167
  C      -7.969841     -5.056133      3.753904
  C      -8.234025     -3.632108      4.224543
  N      -7.649902     -3.367620      5.519003
  C      -7.368692     -2.100780      5.986881
  C      -7.481780     -0.948658      5.178293
  C      -7.060572      0.287386      5.672922
  C      -6.537168      0.429470      6.955317
  C      -6.460078     -0.710552      7.775023
  S      -5.801929     -0.663617      9.419975
  C      -6.884192     -1.952532      7.303453
  C      -1.307062     -2.842504      6.614821
  C      -2.690155     -2.337335      6.203898
  C      -3.853257     -3.340907      6.209137
  C      -4.101782     -3.972547      7.583910
  N      -5.255630     -4.840667      7.504932
  C      -5.673270     -5.645455      8.546441
  C      -6.633920     -6.652694      8.305646
  C      -7.088114     -7.445365      9.353299
  C      -6.615103     -7.268038     10.656766
  C      -5.664363     -6.268365     10.900080
  S      -5.001265     -5.954916     12.511430
  C      -5.192208     -5.461796      9.854223
  H      -0.562137     -1.544558      0.247598
  H      -1.829249     -0.961342      1.347964
  H      -2.166219     -1.154891     -0.387837
  H      -1.498373     -3.439088      1.584558
  H      -1.810318     -3.660758     -0.143911
  H      -3.834985     -2.299256      1.687051
  H      -4.064424     -2.230782     -0.825067
  H      -4.264103     -3.981789     -0.836985
  H      -6.384017     -3.799357      0.057357
  H      -4.666280     -0.540659      0.497857
  H      -5.795473      1.392019      1.516531
  H      -8.182057      1.293175      2.176017
  H     -10.305037      0.322848      2.380328
  H      -8.367616     -2.768916      0.709300
  H     -10.564526     -5.519395      1.410933
  H     -10.495358     -4.172344      2.556623
  H     -10.618947     -5.841137      3.155358
  H      -8.187393     -4.649195      1.659605
  H      -8.362188     -6.349143      2.075758
  H      -8.416851     -5.736679      4.505595
  H      -9.325403     -3.464756      4.221097
  H      -7.812744     -2.932694      3.489506
  H      -7.742168     -4.088786      6.227012
  H      -7.911702     -1.004526      4.180059
  H      -7.153482      1.166001      5.030729
  H      -6.210640      1.403292      7.320128
  H      -5.547633      0.664652      9.445527
  H      -6.801970     -2.835595      7.940297
  H      -0.913326     -3.598193      5.921857
  H      -1.310380     -3.277792      7.624385
  H      -0.591146     -2.008704      6.624173
  H      -2.990398     -1.519539      6.880030
  H      -2.643809     -1.897318      5.194563
  H      -4.759940     -2.763644      5.990196
  H      -3.212657     -4.511585      7.963550
  H      -4.287298     -3.143987      8.289316
  H      -5.453490     -5.185263      6.569180
  H      -7.021441     -6.798102      7.293812
  H      -7.830774     -8.220949      9.156444
  H      -6.982767     -7.895218     11.468954
  H      -5.710505     -6.909802     13.155324
  H      -4.456296     -4.684394     10.064739
  N      -5.413194     -2.649564      3.525988
  H      -5.661866     -1.652821      3.532736
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.729559023775
  N      -3.888350     -4.343083      1.874086
  C      -3.481725     -5.622427      1.284593
  C      -3.016083     -6.534838      2.402375
  N      -4.022784     -6.499596      3.486719
  C      -5.170492     -7.390185      3.208152
  C      -6.389147     -6.857336      3.928709
  N      -6.548460     -5.414908      3.683705
  Mo     -4.917990     -4.295918      3.548386
  N      -3.803955     -4.381379      5.163562
  C      -2.817497     -5.454366      5.324265
  C      -3.417209     -6.752624      4.816463
  H      -2.531545     -5.567361      6.379189
  H      -1.892620     -5.212802      4.771321
  H      -4.212927     -7.079899      5.499390
  H      -2.666841     -7.559160      4.756728
  H      -7.276356     -7.404864      3.571943
  H      -6.325231     -7.051119      5.016213
  H      -5.356914     -7.372378      2.125473
  H      -4.943734     -8.429294      3.501892
  H      -2.661839     -5.479096      0.566395
  H      -4.318072     -6.078705      0.724506
  H      -2.071584     -6.147170      2.807686
  H      -2.847487     -7.568628      2.056500
  C      -1.637853     -1.585408      0.491741
  C      -2.063402     -3.030656      0.760049
  C      -3.568674     -3.148263      1.067082
  C      -4.409739     -3.074740     -0.227473
  N      -5.832355     -2.934814     -0.029329
  C      -6.421616     -1.821944      0.536859
  C      -5.705524     -0.633574      0.791599
  C      -6.357774      0.457013      1.369779
  C      -7.707115      0.408866      1.716774
  C      -8.428659     -0.766879      1.446553
  S     -10.140843     -0.957979      1.862729
  C      -7.793326     -1.862525      0.862094
  C     -10.183469     -5.216083      2.409403
  C      -8.659620     -5.331209      2.407786
  C      -7.983452     -5.037739      3.759774
  C      -8.243059     -3.603766      4.206276
  N      -7.703035     -3.326504      5.517299
  C      -7.386689     -2.064179      5.962144
  C      -7.462151     -0.925123      5.129166
  C      -7.019721      0.310382      5.608198
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  C      -6.468207     -0.661698      7.736395
  S      -5.826289     -0.595745      9.387570
  C      -6.908633     -1.904254      7.280135
  C      -1.312310     -2.849673      6.624141
  C      -2.698298     -2.344149      6.220113
  C      -3.863562     -3.344081      6.223644
  C      -4.104863     -3.985669      7.596407
  N      -5.274087     -4.839186      7.526442
  C      -5.665002     -5.670775      8.560521
  C      -6.610863     -6.690301      8.316617
  C      -7.041850     -7.503985      9.358108
  C      -6.557916     -7.334171     10.658012
  C      -5.623818     -6.319427     10.904065
  S      -4.946144     -6.015733     12.510736
  C      -5.176416     -5.493463      9.863128
  H      -0.559316     -1.529032      0.292392
  H      -1.853820     -0.943622      1.358674
  H      -2.152764     -1.158707     -0.381180
  H      -1.505359     -3.421616      1.625480
  H      -1.792517     -3.658184     -0.105416
  H      -3.842366     -2.292813      1.695817
  H      -4.040836     -2.222996     -0.820908
  H      -4.240777     -3.974280     -0.837778
  H      -6.374576     -3.791297      0.004322
  H      -4.648354     -0.554127      0.539092
  H      -5.791963      1.371529      1.561099
  H      -8.193179      1.270276      2.175410
  H     -10.302321      0.269757      2.406489
  H      -8.366201     -2.764521      0.635866
  H     -10.596489     -5.566500      1.453409
  H     -10.523957     -4.181933      2.553631
  H     -10.624147     -5.830994      3.208285
  H      -8.221463     -4.652711      1.659540
  H      -8.376929     -6.348945      2.094801
  H      -8.435110     -5.702523      4.523474
  H      -9.332000     -3.426460      4.161994
  H      -7.789344     -2.915229      3.479994
  H      -7.795834     -4.045905      6.226530
  H      -7.895520     -0.988101      4.129743
  H      -7.086332      1.180766      4.951956
  H      -6.169641      1.438917      7.249144
  H      -5.522760      0.722191      9.381346
  H      -6.854425     -2.779140      7.931143
  H      -0.911068     -3.584777      5.913345
  H      -1.311284     -3.309037      7.623795
  H      -0.603392     -2.009866      6.654972
  H      -2.996946     -1.529174      6.900158
  H      -2.654861     -1.899919      5.212230
  H      -4.768043     -2.761800      6.007619
  H      -3.219393     -4.539029      7.960478
  H      -4.271036     -3.161106      8.310333
  H      -5.462456     -5.191369      6.590944
  H      -7.007227     -6.828320      7.307368
  H      -7.772343     -8.290215      9.159131
  H      -6.905351     -7.977883     11.465589
  H      -5.633059     -6.989089     13.150901
  H      -4.456604     -4.703237     10.074302
  N      -5.421171     -2.642863      3.533356
  H      -5.672063     -1.646390      3.533269
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.729729729083
  N      -3.890939     -4.348915      1.855148
  C      -3.488566     -5.627269      1.261190
  C      -3.008917     -6.537884      2.374887
  N      -4.008566     -6.506517      3.466064
  C      -5.152638     -7.403448      3.194652
  C      -6.371314     -6.876278      3.919504
  N      -6.535805     -5.434809      3.676793
  Mo     -4.913768     -4.305515      3.533110
  N      -3.790075     -4.383411      5.141101
  C      -2.799841     -5.453359      5.297456
  C      -3.396081     -6.754325      4.793273
  H      -2.508277     -5.565420      6.351184
  H      -1.878437     -5.209430      4.739787
  H      -4.187767     -7.084380      5.479527
  H      -2.641942     -7.557137      4.731781
  H      -7.257832     -7.425010      3.562624
  H      -6.303954     -7.071467      5.006888
  H      -5.343834     -7.388358      2.112714
  H      -4.919020     -8.440873      3.489029
  H      -2.677540     -5.482115      0.533198
  H      -4.330121     -6.085590      0.711039
  H      -2.062880     -6.146368      2.772631
  H      -2.839001     -7.571006      2.027512
  C      -1.636691     -1.587978      0.490398
  C      -2.067274     -3.034163      0.741916
  C      -3.572062     -3.150631      1.052750
  C      -4.417310     -3.072279     -0.238483
  N      -5.840947     -2.927981     -0.036903
  C      -6.420347     -1.816098      0.544390
  C      -5.703575     -0.624353      0.782396
  C      -6.347942      0.465975      1.369788
  C      -7.690521      0.415326      1.741060
  C      -8.412893     -0.763633      1.489563
  S     -10.120365     -0.950578      1.924261
  C      -7.785361     -1.859514      0.896193
  C     -10.167772     -5.210150      2.396238
  C      -8.645657     -5.340443      2.402887
  C      -7.971721     -5.062796      3.758468
  C      -8.234548     -3.637476      4.229784
  N      -7.658729     -3.374988      5.528737
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  C      -7.462385     -0.960397      5.177933
  C      -7.037383      0.274409      5.673637
  C      -6.532608      0.417338      6.963861
  C      -6.479655     -0.718983      7.790345
  S      -5.847933     -0.668189      9.445531
  C      -6.906393     -1.959871      7.317329
  C      -1.300515     -2.838484      6.593824
  C      -2.688384     -2.339026      6.190188
  C      -3.849430     -3.344852      6.199898
  C      -4.086728     -3.982614      7.574885
  N      -5.241163     -4.850910      7.502930
  C      -5.667149     -5.645249      8.548172
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  C      -7.095816     -7.429416      9.366289
  C      -6.630308     -7.239066     10.670324
  C      -5.677121     -6.240080     10.908046
  S      -5.021791     -5.911210     12.519234
  C      -5.194772     -5.448274      9.856032
  H      -0.558911     -1.534006      0.285409
  H      -1.844549     -0.956937      1.367171
  H      -2.154610     -1.147172     -0.373607
  H      -1.507277     -3.436845      1.600739
  H      -1.801620     -3.652719     -0.131524
  H      -3.843106     -2.296486      1.683674
  H      -4.047855     -2.221826     -0.833311
  H      -4.252201     -3.971884     -0.849420
  H      -6.376081     -3.787388      0.027336
  H      -4.653977     -0.539370      0.504202
  H      -5.782083      1.382887      1.546967
  H      -8.170187      1.276752      2.206056
  H     -10.284939      0.292200      2.432071
  H      -8.359435     -2.763893      0.683276
  H     -10.575849     -5.530472      1.427663
  H     -10.498448     -4.176469      2.564971
  H     -10.622613     -5.841573      3.174345
  H      -8.196361     -4.660776      1.662081
  H      -8.370830     -6.359100      2.085923
  H      -8.420266     -5.740917      4.511942
  H      -9.325987     -3.470456      4.220632
  H      -7.809067     -2.935674      3.499256
  H      -7.773208     -4.091027      6.239481
  H      -7.889785     -1.014779      4.176272
  H      -7.112818      1.152194      5.028218
  H      -6.202476      1.389998      7.330164
  H      -5.574342      0.656343      9.464785
  H      -6.845293     -2.841144      7.958931
  H      -0.903876     -3.585954      5.893780
  H      -1.296868     -3.281368      7.600389
  H      -0.590414     -1.999583      6.607227
  H      -2.988311     -1.522672      6.868100
  H      -2.648763     -1.898013      5.180929
  H      -4.757976     -2.768215      5.986455
  H      -3.194466     -4.522347      7.944957
  H      -4.266974     -3.156427      8.284133
  H      -5.450868     -5.190264      6.568139
  H      -7.011345     -6.806484      7.299854
  H      -7.840088     -8.204404      9.173634
  H      -7.005737     -7.855480     11.486905
  H      -5.735583     -6.858537     13.169161
  H      -4.459156     -4.670284     10.061132
  N      -5.423866     -2.654167      3.517234
  H      -5.679311     -1.659243      3.515508
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.729634140359
  N      -3.884474     -4.334826      1.864876
  C      -3.484461     -5.609293      1.260373
  C      -3.008435     -6.531340      2.366538
  N      -4.009009     -6.506575      3.457396
  C      -5.155219     -7.397892      3.177434
  C      -6.373408     -6.874594      3.906377
  N      -6.534859     -5.432155      3.672438
  Mo     -4.908256     -4.305704      3.541842
  N      -3.786078     -4.398935      5.150595
  C      -2.798978     -5.473086      5.298583
  C      -3.399194     -6.767575      4.782990
  H      -2.508574     -5.595770      6.351557
  H      -1.876582     -5.226998      4.743778
  H      -4.193588     -7.098968      5.465463
  H      -2.648672     -7.573164      4.715991
  H      -7.260982     -7.419030      3.545256
  H      -6.306818     -7.077142      4.993076
  H      -5.345826     -7.371110      2.095491
  H      -4.924302     -8.438892      3.461292
  H      -2.671726     -5.458901      0.535458
  H      -4.325881     -6.060316      0.704314
  H      -2.061352     -6.146516      2.768015
  H      -2.841678     -7.561941      2.009915
  C      -1.645287     -1.555501      0.510676
  C      -2.067953     -3.004696      0.756019
  C      -3.571938     -3.130948      1.068728
  C      -4.422044     -3.054864     -0.219024
  N      -5.847337     -2.923387     -0.011176
  C      -6.438277     -1.815898      0.567757
  C      -5.733932     -0.616249      0.806012
  C      -6.392282      0.471952      1.381612
  C      -7.738044      0.413654      1.738500
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  S     -10.161364     -0.964784      1.895221
  C      -7.804884     -1.869574      0.911891
  C     -10.160284     -5.238806      2.364177
  C      -8.636547     -5.349992      2.380100
  C      -7.972610     -5.063394      3.739134
  C      -8.245278     -3.638334      4.199719
  N      -7.692606     -3.372105      5.507172
  C      -7.380834     -2.112987      5.973950
  C      -7.483329     -0.957579      5.167984
  C      -7.031895      0.269576      5.657462
  C      -6.487848      0.398658      6.932411
  C      -6.423552     -0.742907      7.751274
  S      -5.745938     -0.708041      9.388466
  C      -6.878268     -1.975916      7.285176
  C      -1.281787     -2.878914      6.614660
  C      -2.661615     -2.366558      6.201665
  C      -3.834396     -3.360005      6.210544
  C      -4.080927     -3.989921      7.586146
  N      -5.242991     -4.846669      7.515909
  C      -5.675290     -5.628267      8.569313
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  C      -7.120082     -7.392866      9.400431
  C      -6.652322     -7.198723     10.703306
  C      -5.686406     -6.210514     10.934351
  S      -5.025719     -5.879558     12.542940
  C      -5.196808     -5.429800      9.876918
  H      -0.567475     -1.494254      0.306798
  H      -1.857950     -0.929275      1.389766
  H      -2.165612     -1.114880     -0.351733
  H      -1.503756     -3.407875      1.611873
  H      -1.800494     -3.617895     -0.120454
  H      -3.847123     -2.280747      1.702272
  H      -4.060825     -2.201421     -0.814857
  H      -4.250451     -3.951996     -0.831264
  H      -6.378154     -3.785899      0.042673
  H      -4.685382     -0.521203      0.531425
  H      -5.836776      1.395381      1.554591
  H      -8.230862      1.275922      2.187367
  H     -10.339061      0.277739      2.399627
  H      -8.370842     -2.778709      0.697000
  H     -10.559186     -5.579972      1.399058
  H     -10.504053     -4.206512      2.514098
  H     -10.612035     -5.863146      3.150198
  H      -8.191126     -4.664041      1.642517
  H      -8.347703     -6.365014      2.064485
  H      -8.423198     -5.739833      4.492652
  H      -9.336213     -3.471997      4.172993
  H      -7.809013     -2.940626      3.471841
  H      -7.749566     -4.108689      6.202637
  H      -7.925871     -1.003879      4.177675
  H      -7.111816      1.150864      5.017200
  H      -6.134240      1.364149      7.292047
  H      -5.436477      0.608744      9.398185
  H      -6.803073     -2.862850      7.917495
  H      -0.884177     -3.625997      5.914782
  H      -1.291222     -3.326274      7.618580
  H      -0.565912     -2.045571      6.638585
  H      -2.955818     -1.543755      6.874425
  H      -2.612009     -1.930384      5.190953
  H      -4.736277     -2.773650      5.995353
  H      -3.193927     -4.536955      7.959763
  H      -4.255619     -3.159464      8.292074
  H      -5.441552     -5.203713      6.584772
  H      -7.030267     -6.786051      7.328988
  H      -7.872605     -8.161415      9.213449
  H      -7.034237     -7.806001     11.524219
  H      -5.754195     -6.810088     13.200925
  H      -4.446597     -4.662566     10.076895
  N      -5.417118     -2.653725      3.547522
  H      -5.678690     -1.659940      3.568620
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.729786921812
  N      -3.894612     -4.340517      1.842709
  C      -3.489591     -5.613048      1.237547
  C      -3.004839     -6.531708      2.342810
  N      -4.002116     -6.510876      3.436604
  C      -5.143204     -7.410589      3.162012
  C      -6.361879     -6.895011      3.895535
  N      -6.531222     -5.452981      3.664029
  Mo     -4.913933     -4.315089      3.523160
  N      -3.780838     -4.396253      5.124129
  C      -2.789142     -5.466374      5.270514
  C      -3.386409     -6.764682      4.761152
  H      -2.494162     -5.585295      6.322644
  H      -1.869911     -5.217679      4.711478
  H      -4.177305     -7.095739      5.447720
  H      -2.633089     -7.567787      4.694677
  H      -7.247919     -7.443122      3.536535
  H      -6.290138     -7.098822      4.981474
  H      -5.338483     -7.385578      2.080898
  H      -4.903891     -8.449775      3.445506
  H      -2.680793     -5.458703      0.509073
  H      -4.330824     -6.069355      0.685502
  H      -2.058388     -6.141761      2.740786
  H      -2.834167     -7.561791      1.986712
  C      -1.641165     -1.559766      0.521887
  C      -2.068880     -3.009918      0.750996
  C      -3.575184     -3.134428      1.052841
  C      -4.416484     -3.049414     -0.240144
  N      -5.842497     -2.911107     -0.040946
  C      -6.424544     -1.809476      0.558701
  C      -5.714457     -0.615234      0.805612
  C      -6.362644      0.465241      1.406395
  C      -7.704081      0.404063      1.779905
  C      -8.419448     -0.777389      1.522011
  S     -10.127606     -0.972478      1.948259
  C      -7.787230     -1.864746      0.916590
  C     -10.162111     -5.235382      2.376301
  C      -8.639455     -5.358886      2.385997
  C      -7.968132     -5.086477      3.744372
  C      -8.236778     -3.666202      4.225315
  N      -7.659083     -3.413881      5.525645
  C      -7.368816     -2.152398      6.004467
  C      -7.461343     -0.994526      5.201671
  C      -7.026597      0.233236      5.705602
  C      -6.509548      0.359176      6.992250
  C      -6.456700     -0.785241      7.807812
  S      -5.816934     -0.753080      9.460014
  C      -6.894182     -2.018894      7.326175
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  C      -2.659308     -2.357729      6.164205
  C      -3.827709     -3.355878      6.181830
  C      -4.063141     -3.985928      7.559916
  N      -5.214175     -4.855502      7.493867
  C      -5.672529     -5.607744      8.553980
  C      -6.656935     -6.597124      8.333192
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  C      -6.704405     -7.116221     10.707330
  C      -5.727202     -6.137100     10.930485
  S      -5.084328     -5.780483     12.540727
  C      -5.210431     -5.387732      9.863807
  H      -0.561837     -1.498891      0.326539
  H      -1.858983     -0.941320      1.405309
  H      -2.154527     -1.109525     -0.339867
  H      -1.511599     -3.422763      1.606786
  H      -1.797699     -3.616299     -0.129226
  H      -3.852070     -2.285484      1.687835
  H      -4.047904     -2.196164     -0.831477
  H      -4.246530     -3.945277     -0.855021
  H      -6.371666     -3.774257      0.024320
  H      -4.668082     -0.519663      0.521088
  H      -5.801810      1.383784      1.589069
  H      -8.188440      1.258845      2.251926
  H     -10.295131      0.260281      2.479230
  H      -8.357123     -2.770402      0.697782
  H     -10.565880     -5.556931      1.406357
  H     -10.496624     -4.202820      2.544246
  H     -10.617179     -5.869140      3.152510
  H      -8.191454     -4.672169      1.650770
  H      -8.359287     -6.374584      2.064591
  H      -8.415365     -5.771031      4.492834
  H      -9.328806     -3.504090      4.221016
  H      -7.816075     -2.958078      3.498490
  H      -7.770114     -4.137689      6.229199
  H      -7.895358     -1.035775      4.204639
  H      -7.100581      1.118009      5.069589
  H      -6.169778      1.325419      7.364654
  H      -5.534309      0.569485      9.489321
  H      -6.831057     -2.907665      7.957100
  H      -0.880350     -3.613941      5.871934
  H      -1.276200     -3.305139      7.576925
  H      -0.561208     -2.028045      6.584071
  H      -2.953228     -1.534922      6.837043
  H      -2.617784     -1.923310      5.152323
  H      -4.733427     -2.774167      5.970197
  H      -3.168912     -4.521864      7.932033
  H      -4.244948     -3.155287      8.264072
  H      -5.435697     -5.197455      6.563040
  H      -7.026215     -6.773214      7.319371
  H      -7.917368     -8.093365      9.221294
  H      -7.107026     -7.699666     11.535386
  H      -5.828670     -6.692338     13.207009
  H      -4.452896     -4.626904     10.057025
  N      -5.431751     -2.665788      3.519988
  H      -5.698484     -1.673751      3.527021
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.729818860615
  N      -3.896437     -4.340767      1.838426
  C      -3.489761     -5.612205      1.232141
  C      -3.001735     -6.530298      2.336276
  N      -3.997448     -6.511719      3.431374
  C      -5.137653     -7.413107      3.157889
  C      -6.355621     -6.900444      3.894549
  N      -6.527365     -5.457985      3.666186
  Mo     -4.912134     -4.317603      3.521416
  N      -3.773843     -4.397371      5.118892
  C      -2.781618     -5.467173      5.263609
  C      -3.379272     -6.765550      4.754859
  H      -2.485632     -5.586490      6.315480
  H      -1.863029     -5.217738      4.703829
  H      -4.169017     -7.096563      5.442775
  H      -2.625853     -7.568490      4.687088
  H      -7.241529     -7.449086      3.536346
  H      -6.281324     -7.106338      4.979763
  H      -5.335201     -7.387092      2.077233
  H      -4.896018     -8.452243      3.439576
  H      -2.682175     -5.455859      0.502656
  H      -4.330887     -6.069857      0.681019
  H      -2.055546     -6.138477      2.733053
  H      -2.829428     -7.559885      1.979650
  C      -1.644288     -1.558604      0.520803
  C      -2.071418     -3.009322      0.747323
  C      -3.577567     -3.134299      1.048826
  C      -4.417932     -3.048671     -0.244883
  N      -5.843655     -2.908645     -0.047464
  C      -6.424080     -1.807263      0.553826
  C      -5.713100     -0.613544      0.799958
  C      -6.359474      0.466286      1.403673
  C      -7.699849      0.404576      1.781347
  C      -8.416405     -0.776019      1.522798
  S     -10.122270     -0.973013      1.956981
  C      -7.785936     -1.862634      0.914441
  C     -10.162779     -5.234324      2.394474
  C      -8.640359     -5.360364      2.396935
  C      -7.963739     -5.091491      3.753351
  C      -8.229653     -3.671733      4.238254
  N      -7.645739     -3.422579      5.536491
  C      -7.364769     -2.158421      6.013910
  C      -7.454483     -1.004051      5.205980
  C      -7.026894      0.227003      5.708573
  C      -6.520157      0.359060      6.998750
  C      -6.471224     -0.781867      7.819421
  S      -5.845531     -0.741172      9.476759
  C      -6.901269     -2.018788      7.338840
  C      -1.266281     -2.865962      6.568091
  C      -2.651045     -2.360642      6.161811
  C      -3.819576     -3.358751      6.178004
  C      -4.054097     -3.992735      7.554803
  N      -5.204225     -4.863257      7.486065
  C      -5.672209     -5.609041      8.545717
  C      -6.660816     -6.594153      8.324085
  C      -7.170294     -7.320929      9.393951
  C      -6.724689     -7.101161     10.700267
  C      -5.743642     -6.125846     10.924073
  S      -5.107923     -5.764419     12.535988
  C      -5.216712     -5.384860      9.856672
  H      -0.565159     -1.496959      0.324937
  H      -1.861873     -0.941985      1.405591
  H      -2.158549     -1.106824     -0.339690
  H      -1.514170     -3.423679      1.602400
  H      -1.800191     -3.614210     -0.134006
  H      -3.854545     -2.285334      1.684027
  H      -4.048080     -2.196210     -0.836573
  H      -4.248709     -3.945107     -0.859281
  H      -6.372773     -3.771643      0.020639
  H      -4.667011     -0.518042      0.513075
  H      -5.797547      1.384221      1.586804
  H      -8.182524      1.258065      2.257551
  H     -10.287381      0.257632      2.493483
  H      -8.356367     -2.768381      0.697120
  H     -10.571392     -5.551862      1.425176
  H     -10.494599     -4.201730      2.567503
  H     -10.615266     -5.869984      3.170527
  H      -8.194460     -4.672902      1.661215
  H      -8.363041     -6.375903      2.072657
  H      -8.408948     -5.777493      4.501926
  H      -9.321676     -3.508936      4.239118
  H      -7.811484     -2.962095      3.511177
  H      -7.777119     -4.140548      6.243355
  H      -7.884597     -1.049519      4.205796
  H      -7.099132      1.109484      5.069274
  H      -6.186111      1.327995      7.370136
  H      -5.568884      0.582721      9.503951
  H      -6.842342     -2.904823      7.973911
  H      -0.871251     -3.616192      5.870083
  H      -1.267443     -3.307250      7.575010
  H      -0.552995     -2.029972      6.581806
  H      -2.945687     -1.538799      6.835484
  H      -2.609396     -1.924872      5.150492
  H      -4.725308     -2.776514      5.967691
  H      -3.159341     -4.528766      7.925340
  H      -4.236469     -3.164197      8.261171
  H      -5.428839     -5.200177      6.554313
  H      -7.024867     -6.773446      7.309004
  H      -7.934326     -8.079288      9.212289
  H      -7.134956     -7.678411     11.528790
  H      -5.857927     -6.671644     13.202221
  H      -4.456881     -4.626652     10.049612
  N      -5.431572     -2.668923      3.518414
  H      -5.697704     -1.676922      3.524741
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.729837354098
  N      -3.898705     -4.339975      1.836404
  C      -3.489949     -5.610575      1.229346
  C      -3.001774     -6.529232      2.333005
  N      -3.997375     -6.511817      3.428214
  C      -5.136339     -7.414905      3.155196
  C      -6.354431     -6.904313      3.893105
  N      -6.528572     -5.462154      3.664507
  Mo     -4.914402     -4.319752      3.519556
  N      -3.773792     -4.397491      5.115707
  C      -2.780726     -5.466781      5.259758
  C      -3.378119     -6.765340      4.751325
  H      -2.484510     -5.586328      6.311564
  H      -1.862456     -5.216265      4.700003
  H      -4.167412     -7.095817      5.440029
  H      -2.624933     -7.568443      4.683230
  H      -7.239733     -7.454601      3.535977
  H      -6.278869     -7.109805      4.978270
  H      -5.334951     -7.388123      2.074742
  H      -4.892695     -8.453867      3.435742
  H      -2.681757     -5.452623      0.500947
  H      -4.330108     -6.068716      0.677115
  H      -2.055678     -6.137363      2.729951
  H      -2.829190     -7.558561      1.975868
  C      -1.645389     -1.554753      0.528937
  C      -2.072231     -3.006292      0.750719
  C      -3.578878     -3.132393      1.049052
  C      -4.417703     -3.044168     -0.245452
  N      -5.843095     -2.903724     -0.047491
  C      -6.423014     -1.803492      0.556263
  C      -5.711202     -0.610858      0.805070
  C      -6.356455      0.467529      1.412464
  C      -7.696437      0.405215      1.791788
  C      -8.413866     -0.774258      1.530402
  S     -10.118251     -0.973579      1.969351
  C      -7.784334     -1.859441      0.918563
  C     -10.164263     -5.247230      2.393234
  C      -8.641351     -5.368923      2.395133
  C      -7.965138     -5.097350      3.751423
  C      -8.232690     -3.676753      4.234499
  N      -7.654136     -3.425581      5.535302
  C      -7.367331     -2.162921      6.012751
  C      -7.453995     -1.007382      5.205978
  C      -7.022150      0.221857      5.709911
  C      -6.515003      0.350877      7.000463
  C      -6.468843     -0.791128      7.819603
  S      -5.842901     -0.753546      9.476946
  C      -6.901791     -2.026352      7.337392
  C      -1.261147     -2.867453      6.558855
  C      -2.646603     -2.361618      6.155058
  C      -3.816509     -3.358180      6.174276
  C      -4.048625     -3.992352      7.551691
  N      -5.198834     -4.863455      7.485667
  C      -5.671454     -5.604109      8.547177
  C      -6.663750     -6.585740      8.326441
  C      -7.178798     -7.307198      9.397266
  C      -6.735871     -7.084928     10.703928
  C      -5.751674     -6.112711     10.927058
  S      -5.118969     -5.748271     12.539414
  C      -5.218785     -5.377560      9.858683
  H      -0.565709     -1.491645      0.336881
  H      -1.866510     -0.940461      1.414501
  H      -2.157347     -1.101234     -0.332030
  H      -1.516654     -3.423026      1.605730
  H      -1.799216     -3.608726     -0.131761
  H      -3.856910     -2.284391      1.685367
  H      -4.047160     -2.191249     -0.836054
  H      -4.249018     -3.939780     -0.861294
  H      -6.373799     -3.766052      0.016203
  H      -4.664955     -0.515549      0.518111
  H      -5.793596      1.384484      1.597996
  H      -8.178375      1.257256      2.271383
  H     -10.283752      0.256727      2.506471
  H      -8.355051     -2.764714      0.700712
  H     -10.572812     -5.572137      1.426326
  H     -10.498593     -4.214381      2.559907
  H     -10.614305     -5.879226      3.173637
  H      -8.198035     -4.680287      1.659013
  H      -8.360948     -6.383705      2.071135
  H      -8.410145     -5.782422      4.500995
  H      -9.324754     -3.514325      4.230168
  H      -7.811323     -2.967750      3.508865
  H      -7.788317     -4.142308      6.242436
  H      -7.886507     -1.049878      4.206541
  H      -7.092116      1.105538      5.072051
  H      -6.178305      1.318558      7.373345
  H      -5.560948      0.569214      9.504412
  H      -6.844885     -2.913586      7.970929
  H      -0.865703     -3.614266      5.857481
  H      -1.260813     -3.312890      7.563995
  H      -0.548847     -2.030623      6.575660
  H      -2.939145     -1.538720      6.828332
  H      -2.606516     -1.926925      5.143174
  H      -4.721742     -2.774791      5.965005
  H      -3.152839     -4.527746      7.920355
  H      -4.230134     -3.163840      8.258227
  H      -5.426907     -5.200085      6.554655
  H      -7.025659     -6.767003      7.310969
  H      -7.945270     -8.063172      9.216078
  H      -7.150812     -7.657594     11.533239
  H      -5.871893     -6.652603     13.206266
  H      -4.457129     -4.621698     10.051488
  N      -5.435772     -2.671713      3.516205
  H      -5.704335     -1.680264      3.520755
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.729721936411
  N      -3.897573     -4.335898      1.809754
  C      -3.485264     -5.600644      1.191709
  C      -2.990801     -6.526129      2.287519
  N      -3.984624     -6.519557      3.384700
  C      -5.118380     -7.427200      3.106817
  C      -6.338914     -6.931034      3.850545
  N      -6.518305     -5.488944      3.635738
  Mo     -4.909712     -4.335270      3.494649
  N      -3.754738     -4.410711      5.080965
  C      -2.763317     -5.482505      5.218058
  C      -3.364102     -6.777837      4.706026
  H      -2.465325     -5.608507      6.268824
  H      -1.845909     -5.230576      4.657893
  H      -4.154476     -7.105390      5.394829
  H      -2.613789     -7.583156      4.635049
  H      -7.222277     -7.480573      3.486486
  H      -6.263367     -7.146740      4.934617
  H      -5.318853     -7.390708      2.026838
  H      -4.867524     -8.467332      3.376518
  H      -2.679418     -5.432988      0.463140
  H      -4.324682     -6.057169      0.637536
  H      -2.044886     -6.134057      2.684290
  H      -2.815937     -7.552481      1.922637
  C      -1.642617     -1.530441      0.552166
  C      -2.067914     -2.985714      0.746561
  C      -3.575996     -3.119718      1.037184
  C      -4.414458     -3.022420     -0.256208
  N      -5.843004     -2.889504     -0.055171
  C      -6.422514     -1.803461      0.577626
  C      -5.720320     -0.605538      0.830515
  C      -6.366881      0.458331      1.461744
  C      -7.700606      0.378644      1.858269
  C      -8.408089     -0.806522      1.597299
  S     -10.109871     -1.018765      2.038301
  C      -7.776601     -1.878301      0.962411
  C     -10.156856     -5.274838      2.368688
  C      -8.633039     -5.386622      2.370456
  C      -7.956077     -5.133302      3.729899
  C      -8.230743     -3.725245      4.242264
  N      -7.627380     -3.501731      5.538473
  C      -7.355595     -2.244297      6.052209
  C      -7.456475     -1.066058      5.282007
  C      -7.030794      0.151194      5.818596
  C      -6.515385      0.243998      7.108254
  C      -6.457465     -0.920760      7.894182
  S      -5.823155     -0.928896      9.548146
  C      -6.886967     -2.143210      7.378703
  C      -1.220176     -2.884275      6.505067
  C      -2.603677     -2.375316      6.100472
  C      -3.781333     -3.364533      6.134298
  C      -4.010899     -3.982722      7.518586
  N      -5.155444     -4.855734      7.462367
  C      -5.681723     -5.526705      8.540657
  C      -6.712081     -6.473253      8.336736
  C      -7.281960     -7.125133      9.424473
  C      -6.859333     -6.868815     10.731856
  C      -5.834914     -5.935273     10.939297
  S      -5.223737     -5.531751     12.550714
  C      -5.245654     -5.268780      9.855482
  H      -0.561776     -1.461324      0.367435
  H      -1.870805     -0.932261      1.446990
  H      -2.151545     -1.063701     -0.303279
  H      -1.513830     -3.415531      1.596107
  H      -1.790717     -3.572667     -0.144773
  H      -3.858642     -2.277952      1.678767
  H      -4.046902     -2.165309     -0.842632
  H      -4.241627     -3.912405     -0.878444
  H      -6.363944     -3.757403      0.016388
  H      -4.682618     -0.492259      0.524716
  H      -5.811603      1.379226      1.646848
  H      -8.186223      1.221319      2.349930
  H     -10.282860      0.205957      2.586199
  H      -8.342145     -2.785827      0.741211
  H     -10.561230     -5.588247      1.396356
  H     -10.496882     -4.246159      2.549050
  H     -10.605679     -5.921098      3.138464
  H      -8.193504     -4.681915      1.647142
  H      -8.345758     -6.394169      2.030566
  H      -8.393278     -5.835265      4.467845
  H      -9.323704     -3.572007      4.261044
  H      -7.827173     -3.000647      3.523479
  H      -7.796488     -4.219899      6.237249
  H      -7.890127     -1.080236      4.287854
  H      -7.107867      1.052448      5.206468
  H      -6.180772      1.201255      7.506074
  H      -5.554391      0.395379      9.615130
  H      -6.819525     -3.048383      7.984923
  H      -0.827304     -3.635883      5.807812
  H      -1.222219     -3.324286      7.511722
  H      -0.505543     -2.049889      6.517495
  H      -2.888599     -1.543707      6.766444
  H      -2.564483     -1.950540      5.084624
  H      -4.683801     -2.776936      5.925259
  H      -3.112212     -4.510797      7.892791
  H      -4.195162     -3.145714      8.215368
  H      -5.412904     -5.181231      6.535535
  H      -7.056997     -6.683512      7.320561
  H      -8.077818     -7.853459      9.256041
  H      -7.319014     -7.387403     11.573617
  H      -6.030006     -6.374430     13.235861
  H      -4.450421     -4.543274     10.036162
  N      -5.438236     -2.689234      3.499858
  H      -5.713255     -1.699813      3.507267
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.729815945143
  N      -3.897527     -4.334754      1.809870
  C      -3.484288     -5.598515      1.190429
  C      -2.989117     -6.524868      2.285065
  N      -3.982368     -6.519976      3.382728
  C      -5.116192     -7.427602      3.104402
  C      -6.336091     -6.932726      3.850006
  N      -6.516417     -5.490239      3.637341
  Mo     -4.907783     -4.336499      3.496027
  N      -3.750946     -4.413432      5.081079
  C      -2.759468     -5.485426      5.216556
  C      -3.360653     -6.780107      4.703204
  H      -2.461494     -5.612811      6.267158
  H      -1.842062     -5.232683      4.656732
  H      -4.150471     -7.108377      5.392320
  H      -2.610577     -7.585515      4.630558
  H      -7.219545     -7.482370      3.486481
  H      -6.259172     -7.149826      4.933597
  H      -5.317708     -7.389585      2.024681
  H      -4.864786     -8.468057      3.372323
  H      -2.678380     -5.429395      0.462234
  H      -4.323345     -6.054991      0.635628
  H      -2.043273     -6.132657      2.681906
  H      -2.813804     -7.550732      1.919093
  C      -1.645599     -1.527005      0.552476
  C      -2.069544     -2.982877      0.745831
  C      -3.577188     -3.118013      1.037664
  C      -4.416375     -3.020362     -0.255344
  N      -5.844416     -2.886967     -0.053847
  C      -6.424493     -1.800288      0.576760
  C      -5.721970     -0.602758      0.830268
  C      -6.368796      0.461403      1.460690
  C      -7.702823      0.381992      1.856477
  C      -8.410806     -0.802570      1.593939
  S     -10.111437     -1.016722      2.038573
  C      -7.779084     -1.874569      0.959863
  C     -10.158040     -5.276734      2.380234
  C      -8.634140     -5.387844      2.376341
  C      -7.954009     -5.134441      3.734149
  C      -8.226811     -3.725623      4.245211
  N      -7.626497     -3.503485      5.542959
  C      -7.355546     -2.244444      6.051983
  C      -7.453425     -1.070041      5.275505
  C      -7.028936      0.149689      5.807509
  C      -6.518251      0.248752      7.098586
  C      -6.463628     -0.912067      7.890573
  S      -5.836046     -0.911673      9.547180
  C      -6.891069     -2.137161      7.379448
  C      -1.215163     -2.892054      6.509792
  C      -2.597698     -2.381305      6.103803
  C      -3.776839     -3.368656      6.135846
  C      -4.007275     -3.989064      7.519088
  N      -5.153044     -4.860724      7.460918
  C      -5.681803     -5.530428      8.538744
  C      -6.712692     -6.476206      8.334355
  C      -7.285178     -7.125882      9.422015
  C      -6.864731     -6.867432     10.729693
  C      -5.840191     -5.933943     10.937419
  S      -5.231680     -5.527944     12.549172
  C      -5.248200     -5.270121      9.853487
  H      -0.565149     -1.456848      0.366107
  H      -1.872831     -0.930044      1.448361
  H      -2.156330     -1.059650     -0.301596
  H      -1.514467     -3.413322      1.594405
  H      -1.792829     -3.568674     -0.146454
  H      -3.859703     -2.276760      1.680153
  H      -4.048791     -2.163387     -0.841985
  H      -4.244394     -3.910585     -0.877556
  H      -6.366903     -3.754164      0.014204
  H      -4.683437     -0.490373      0.526302
  H      -5.812978      1.381806      1.647114
  H      -8.188229      1.224221      2.349187
  H     -10.283714      0.206674      2.589591
  H      -8.344503     -2.782399      0.739338
  H     -10.566281     -5.593039      1.410441
  H     -10.497768     -4.247717      2.559233
  H     -10.603233     -5.921015      3.153749
  H      -8.197508     -4.682508      1.651894
  H      -8.347271     -6.394966      2.034920
  H      -8.390448     -5.835489      4.473526
  H      -9.319413     -3.569356      4.260694
  H      -7.819316     -3.002114      3.527390
  H      -7.802494     -4.220535      6.241710
  H      -7.885928     -1.088814      4.280098
  H      -7.104248      1.048098      5.191043
  H      -6.185199      1.208156      7.492802
  H      -5.566067      0.412644      9.607878
  H      -6.826581     -3.039323      7.990431
  H      -0.821737     -3.642833      5.811916
  H      -1.218719     -3.333590      7.515878
  H      -0.499976     -2.058109      6.524542
  H      -2.882347     -1.549610      6.769760
  H      -2.556775     -1.956127      5.088157
  H      -4.678386     -2.779449      5.927194
  H      -3.109280     -4.518652      7.892556
  H      -4.190847     -3.153241      8.217326
  H      -5.407586     -5.187365      6.533674
  H      -7.055793     -6.687872      7.317899
  H      -8.081200     -7.853950      9.253380
  H      -7.326322     -7.384120     11.571503
  H      -6.037877     -6.370840     13.234120
  H      -4.452999     -4.544435     10.033935
  N      -5.436257     -2.690621      3.504486
  H      -5.710490     -1.701056      3.515153
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.729948553159
  N      -3.901177     -4.330087      1.804870
  C      -3.483636     -5.589905      1.180221
  C      -2.981956     -6.517663      2.270610
  N      -3.971922     -6.520072      3.371268
  C      -5.103235     -7.431576      3.093906
  C      -6.322192     -6.944539      3.846270
  N      -6.509312     -5.501577      3.639801
  Mo     -4.904329     -4.342357      3.495225
  N      -3.737793     -4.418232      5.074152
  C      -2.743978     -5.488817      5.203954
  C      -3.344394     -6.782968      4.688521
  H      -2.444594     -5.619677      6.253855
  H      -1.827797     -5.231890      4.644006
  H      -4.131201     -7.113739      5.379977
  H      -2.593712     -7.587362      4.610835
  H      -7.204433     -7.496735      3.484221
  H      -6.240259     -7.165673      4.928443
  H      -5.309521     -7.389869      2.015227
  H      -4.846111     -8.472008      3.356355
  H      -2.679377     -5.414230      0.451526
  H      -4.321693     -6.048017      0.625268
  H      -2.036568     -6.122704      2.665809
  H      -2.803625     -7.541707      1.901259
  C      -1.661012     -1.510464      0.559845
  C      -2.079747     -2.969071      0.743224
  C      -3.586261     -3.109844      1.035994
  C      -4.426606     -3.010046     -0.256219
  N      -5.853303     -2.878719     -0.051225
  C      -6.433832     -1.794634      0.581816
  C      -5.730343     -0.599209      0.841931
  C      -6.376543      0.461978      1.477623
  C      -7.710568      0.381035      1.873660
  C      -8.419740     -0.800917      1.603017
  S     -10.118065     -1.019929      2.053617
  C      -7.788763     -1.869643      0.962962
  C     -10.156599     -5.297153      2.399979
  C      -8.632389     -5.404297      2.387985
  C      -7.947129     -5.148956      3.743078
  C      -8.218472     -3.738603      4.252190
  N      -7.626727     -3.515361      5.554094
  C      -7.350387     -2.256407      6.058557
  C      -7.439133     -1.086020      5.275236
  C      -7.007840      0.134054      5.801750
  C      -6.500244      0.236584      7.094002
  C      -6.456438     -0.919906      7.892897
  S      -5.837614     -0.913230      9.552864
  C      -6.889417     -2.145230      7.386841
  C      -1.193296     -2.911853      6.511925
  C      -2.572963     -2.395908      6.101807
  C      -3.757707     -3.376723      6.131816
  C      -3.989517     -4.003099      7.512701
  N      -5.135305     -4.875051      7.450771
  C      -5.686410     -5.524814      8.529598
  C      -6.724455     -6.462266      8.322645
  C      -7.320406     -7.090739      9.410185
  C      -6.917664     -6.817859     10.720227
  C      -5.886722     -5.891962     10.930498
  S      -5.299250     -5.468438     12.545366
  C      -5.270714     -5.250391      9.846673
  H      -0.581722     -1.435249      0.369324
  H      -1.886401     -0.921618      1.461611
  H      -2.177555     -1.037853     -0.287954
  H      -1.522383     -3.404345      1.587821
  H      -1.802970     -3.547752     -0.153852
  H      -3.870519     -2.270925      1.681275
  H      -4.060936     -2.151737     -0.842292
  H      -4.254932     -3.898997     -0.880531
  H      -6.378291     -3.744921      0.006010
  H      -4.690868     -0.486339      0.539461
  H      -5.819184      1.380332      1.670578
  H      -8.195005      1.219426      2.374007
  H     -10.288461      0.198158      2.616716
  H      -8.354492     -2.776481      0.739360
  H     -10.569783     -5.621901      1.434998
  H     -10.497358     -4.267508      2.573332
  H     -10.595590     -5.936530      3.180827
  H      -8.201783     -4.696777      1.662162
  H      -8.343985     -6.410144      2.044469
  H      -8.380649     -5.849265      4.485247
  H      -9.310586     -3.578522      4.260622
  H      -7.803801     -3.017155      3.535716
  H      -7.807736     -4.231411      6.252968
  H      -7.873566     -1.106919      4.278197
  H      -7.076244      1.029860      5.180852
  H      -6.162768      1.196429      7.484310
  H      -5.557055      0.409247      9.605939
  H      -6.834348     -3.044289      8.003146
  H      -0.799520     -3.662843      5.814495
  H      -1.200945     -3.354497      7.517664
  H      -0.475867     -2.079756      6.530083
  H      -2.855260     -1.562097      6.766040
  H      -2.527485     -1.971849      5.085838
  H      -4.656318     -2.782128      5.925368
  H      -3.091261     -4.533388      7.884295
  H      -4.174459     -3.170463      8.214031
  H      -5.386572     -5.204442      6.523761
  H      -7.053191     -6.685410      7.303988
  H      -8.121147     -7.813094      9.239513
  H      -7.397682     -7.317433     11.561890
  H      -6.122590     -6.295136     13.229649
  H      -4.470843     -4.531403     10.029105
  N      -5.438700     -2.698555      3.512583
  H      -5.716288     -1.709885      3.533107
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.729999020491
  N      -3.901589     -4.327137      1.797864
  C      -3.481875     -5.583587      1.167702
  C      -2.975776     -6.514151      2.253655
  N      -3.963378     -6.522587      3.356459
  C      -5.093120     -7.436024      3.078317
  C      -6.311263     -6.955438      3.836120
  N      -6.502199     -5.512001      3.636674
  Mo     -4.899646     -4.348748      3.491162
  N      -3.725317     -4.425481      5.064672
  C      -2.731074     -5.496377      5.189295
  C      -3.332337     -6.789095      4.671344
  H      -2.430394     -5.630928      6.238438
  H      -1.815724     -5.237136      4.629093
  H      -4.117620     -7.121097      5.363967
  H      -2.582098     -7.593490      4.589657
  H      -7.193103     -7.508024      3.473779
  H      -6.226079     -7.181386      4.917055
  H      -5.302598     -7.389817      2.000419
  H      -4.832358     -8.476938      3.335168
  H      -2.679169     -5.402703      0.438535
  H      -4.319666     -6.041654      0.612379
  H      -2.030397     -6.118416      2.648038
  H      -2.796045     -7.536521      1.880420
  C      -1.667568     -1.498238      0.565835
  C      -2.083448     -2.958708      0.739819
  C      -3.589348     -3.103522      1.033430
  C      -4.431398     -3.000443     -0.257452
  N      -5.857829     -2.870945     -0.049916
  C      -6.438808     -1.790414      0.588409
  C      -5.737029     -0.594674      0.851797
  C      -6.383605      0.462426      1.493725
  C      -7.716394      0.377080      1.893149
  C      -8.424022     -0.804880      1.618814
  S     -10.119895     -1.030141      2.075030
  C      -7.792579     -1.869636      0.972503
  C     -10.154274     -5.309245      2.411992
  C      -8.629897     -5.413671      2.392630
  C      -7.940091     -5.162058      3.746084
  C      -8.210736     -3.753672      4.260675
  N      -7.617995     -3.537531      5.563601
  C      -7.345698     -2.278049      6.070188
  C      -7.432489     -1.107798      5.286691
  C      -7.003139      0.112530      5.814417
  C      -6.500056      0.214872      7.108341
  C      -6.459823     -0.941290      7.908020
  S      -5.849364     -0.933850      9.571041
  C      -6.890510     -2.166807      7.400374
  C      -1.172810     -2.929323      6.505963
  C      -2.550346     -2.409585      6.093267
  C      -3.739565     -3.385309      6.123809
  C      -3.972176     -4.012559      7.504229
  N      -5.117869     -4.883684      7.440727
  C      -5.690063     -5.509984      8.521365
  C      -6.738706     -6.436114      8.315876
  C      -7.356406     -7.039413      9.405569
  C      -6.965971     -6.751630     10.716157
  C      -5.924688     -5.836802     10.924961
  S      -5.351250     -5.396007     12.540168
  C      -5.286449     -5.220902      9.839144
  H      -0.588908     -1.419596      0.373193
  H      -1.891958     -0.916356      1.472393
  H      -2.187469     -1.020565     -0.277083
  H      -1.524282     -3.398833      1.580710
  H      -1.807081     -3.531017     -0.161502
  H      -3.874311     -2.267161      1.681797
  H      -4.067136     -2.140846     -0.842604
  H      -4.260077     -3.887933     -0.883952
  H      -6.382613     -3.737474      0.003005
  H      -4.698622     -0.478213      0.546875
  H      -5.827202      1.380745      1.689591
  H      -8.201131      1.211675      2.399524
  H     -10.291025      0.184265      2.645810
  H      -8.356952     -2.777080      0.747714
  H     -10.571522     -5.635000      1.449078
  H     -10.495495     -4.279978      2.586672
  H     -10.588597     -5.949088      3.195111
  H      -8.203861     -4.702048      1.668095
  H      -8.340673     -6.417457      2.044021
  H      -8.370477     -5.865193      4.487519
  H      -9.302625     -3.592354      4.270332
  H      -7.795455     -3.029902      3.546908
  H      -7.813805     -4.252432      6.260535
  H      -7.866108     -1.128069      4.288990
  H      -7.069733      1.008464      5.193545
  H      -6.164224      1.174910      7.499527
  H      -5.569782      0.388837      9.625076
  H      -6.838901     -3.065607      8.017244
  H      -0.779327     -3.681160      5.809352
  H      -1.183417     -3.371901      7.511665
  H      -0.453545     -2.098855      6.525605
  H      -2.830080     -1.573431      6.755623
  H      -2.502173     -1.987365      5.076665
  H      -4.635954     -2.786811      5.918747
  H      -3.073961     -4.542973      7.875842
  H      -4.157741     -3.180356      8.205871
  H      -5.371505     -5.211413      6.513925
  H      -7.057275     -6.671169      7.296646
  H      -8.164852     -7.753466      9.236212
  H      -7.463165     -7.231386     11.559372
  H      -6.191888     -6.203002     13.226951
  H      -4.478256     -4.510593     10.019912
  N      -5.437054     -2.706114      3.516386
  H      -5.716159     -1.718049      3.543696
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.730078278428
  N      -3.903806     -4.322903      1.787731
  C      -3.480826     -5.574401      1.149654
  C      -2.966667     -6.508179      2.229115
  N      -3.949929     -6.525545      3.335788
  C      -5.076729     -7.443010      3.058008
  C      -6.293550     -6.972513      3.824245
  N      -6.491314     -5.528665      3.634306
  Mo     -4.893513     -4.358244      3.485624
  N      -3.706434     -4.434081      5.050348
  C      -2.710676     -5.504577      5.167193
  C      -3.312545     -6.795936      4.646849
  H      -2.407248     -5.643814      6.215069
  H      -1.797150     -5.241510      4.605851
  H      -4.094776     -7.129929      5.342021
  H      -2.562393     -7.599773      4.559264
  H      -7.174480     -7.526545      3.462111
  H      -6.202894     -7.204849      4.903348
  H      -5.291769     -7.391177      1.981436
  H      -4.809471     -8.484126      3.307173
  H      -2.681237     -5.385710      0.418956
  H      -4.318509     -6.033159      0.594854
  H      -2.021253     -6.110459      2.621305
  H      -2.784592     -7.528144      1.850592
  C      -1.679990     -1.480045      0.575335
  C      -2.091366     -2.943237      0.735001
  C      -3.596308     -3.094306      1.029618
  C      -4.440849     -2.986749     -0.259301
  N      -5.866696     -2.860809     -0.047071
  C      -6.447957     -1.785902      0.599767
  C      -5.748180     -0.590071      0.868272
  C      -6.394517      0.460753      1.520344
  C      -7.725260      0.369086      1.925421
  C      -8.431168     -0.812420      1.645297
  S     -10.123334     -1.046215      2.109997
  C      -7.799861     -1.871024      0.988642
  C     -10.149054     -5.331288      2.427209
  C      -8.624466     -5.431516      2.400344
  C      -7.929528     -5.183533      3.751949
  C      -8.200711     -3.777581      4.273326
  N      -7.607083     -3.568245      5.577476
  C      -7.337302     -2.309183      6.088027
  C      -7.419919     -1.137877      5.306085
  C      -6.989767      0.081129      5.836764
  C      -6.490837      0.180087      7.132552
  C      -6.457558     -0.976778      7.931596
  S      -5.857686     -0.972010      9.598442
  C      -6.888653     -2.200702      7.420487
  C      -1.141267     -2.952160      6.495478
  C      -2.516053     -2.427470      6.079440
  C      -3.711625     -3.395958      6.111435
  C      -3.944668     -4.025430      7.491113
  N      -5.089399     -4.896764      7.425620
  C      -5.695674     -5.486441      8.507100
  C      -6.761299     -6.393091      8.300295
  C      -7.414596     -6.957708      9.390025
  C      -7.044856     -6.649163     10.701747
  C      -5.987102     -5.753594     10.912048
  S      -5.437366     -5.288649     12.528569
  C      -5.312531     -5.177130      9.826618
  H      -0.602400     -1.396029      0.379109
  H      -1.902529     -0.908953      1.489249
  H      -2.205409     -0.994682     -0.259782
  H      -1.529543     -3.390600      1.570294
  H      -1.815521     -3.505899     -0.172615
  H      -3.882614     -2.261550      1.682205
  H      -4.079377     -2.124964     -0.843113
  H      -4.269600     -3.871778     -0.889340
  H      -6.391078     -3.727823     -0.000972
  H      -4.711536     -0.468324      0.558987
  H      -5.839073      1.378710      1.720681
  H      -8.209825      1.197802      2.441553
  H     -10.294369      0.162161      2.693441
  H      -8.362719     -2.778847      0.761560
  H     -10.570032     -5.659206      1.466604
  H     -10.491347     -4.302456      2.602374
  H     -10.578311     -5.971325      3.212891
  H      -8.204003     -4.714771      1.677594
  H      -8.333395     -6.432724      2.046251
  H      -8.355351     -5.890540      4.492539
  H      -9.292511     -3.616074      4.284670
  H      -7.785507     -3.050824      3.562436
  H      -7.818843     -4.281152      6.272672
  H      -7.854303     -1.154685      4.307818
  H      -7.052585      0.978304      5.217358
  H      -6.154505      1.138974      7.526255
  H      -5.577981      0.350581      9.656044
  H      -6.844162     -3.099924      8.037135
  H      -0.748414     -3.705606      5.800392
  H      -1.155529     -3.393954      7.501426
  H      -0.419533     -2.123867      6.516338
  H      -2.791843     -1.587767      6.738920
  H      -2.464499     -2.008212      5.061786
  H      -4.604975     -2.791811      5.909089
  H      -3.045806     -4.555216      7.862130
  H      -4.131949     -3.194268      8.193441
  H      -5.348035     -5.220198      6.498923
  H      -7.063090     -6.644885      7.279927
  H      -8.235422     -7.657289      9.219693
  H      -7.570272     -7.098347     11.544665
  H      -6.309402     -6.061408     13.215609
  H      -4.491407     -4.482360     10.008501
  N      -5.437049     -2.717886      3.521742
  H      -5.719592     -1.731150      3.558853
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.730172901202
  N      -3.906710     -4.317941      1.774447
  C      -3.480220     -5.562953      1.125698
  C      -2.954259     -6.500638      2.196163
  N      -3.930733     -6.529525      3.308769
  C      -5.053572     -7.452751      3.032743
  C      -6.267939     -6.995783      3.810969
  N      -6.475077     -5.551611      3.633546
  Mo     -4.884228     -4.371226      3.478777
  N      -3.678754     -4.444567      5.030560
  C      -2.680898     -5.514432      5.136645
  C      -3.283880     -6.804278      4.614310
  H      -2.372953     -5.659449      6.182598
  H      -1.770280     -5.246500      4.572954
  H      -4.061428     -7.140617      5.313667
  H      -2.533872     -7.607317      4.518729
  H      -7.147863     -7.551872      3.449804
  H      -6.169144     -7.236286      4.887521
  H      -5.276972     -7.393979      1.958193
  H      -4.777225     -8.493831      3.271822
  H      -2.685708     -5.364064      0.392069
  H      -4.318404     -6.022750      0.572690
  H      -2.008454     -6.100165      2.584414
  H      -2.769556     -7.517482      1.810738
  C      -1.696286     -1.457693      0.586702
  C      -2.102120     -2.924087      0.727675
  C      -3.605659     -3.083006      1.024493
  C      -4.454330     -2.969574     -0.261252
  N      -5.879307     -2.848954     -0.041909
  C      -6.460996     -1.781976      0.616578
  C      -5.764379     -0.585601      0.891287
  C      -6.410379      0.456374      1.557299
  C      -7.737931      0.355444      1.970867
  C      -8.441088     -0.825865      1.683732
  S     -10.127895     -1.071562      2.160335
  C      -7.810026     -1.875771      1.012772
  C     -10.140815     -5.360952      2.452138
  C      -8.616102     -5.456250      2.414659
  C      -7.913544     -5.213205      3.763317
  C      -8.185435     -3.810904      4.294645
  N      -7.588150     -3.610958      5.599322
  C      -7.324210     -2.351779      6.115264
  C      -7.401728     -1.179117      5.335444
  C      -6.973008      0.038697      5.870827
  C      -6.481756      0.133737      7.169821
  C      -6.457734     -1.024015      7.968012
  S      -5.875665     -1.022039      9.641151
  C      -6.886707     -2.246354      7.451390
  C      -1.096531     -2.982266      6.480658
  C      -2.467816     -2.450929      6.060919
  C      -3.671752     -3.409773      6.094661
  C      -3.905303     -4.043332      7.472918
  N      -5.048995     -4.914508      7.403527
  C      -5.703350     -5.452774      8.482067
  C      -6.796329     -6.325450      8.269093
  C      -7.499876     -6.835577      9.354508
  C      -7.156064     -6.504105     10.667490
  C      -6.071743     -5.642159     10.884149
  S      -5.551079     -5.151493     12.502455
  C      -5.345873     -5.121371      9.803786
  H      -0.620323     -1.366822      0.384762
  H      -1.915205     -0.900973      1.510398
  H      -2.229691     -0.962104     -0.237337
  H      -1.536365     -3.381075      1.555083
  H      -1.827818     -3.474048     -0.188259
  H      -3.893083     -2.254838      1.682616
  H      -4.097156     -2.104722     -0.843378
  H      -4.283239     -3.851154     -0.896212
  H      -6.402919     -3.716669     -0.005024
  H      -4.730615     -0.455965      0.575150
  H      -5.856638      1.374206      1.762913
  H      -8.222285      1.175956      2.500166
  H     -10.299094      0.129142      2.759339
  H      -8.370561     -2.784341      0.782756
  H     -10.567191     -5.691316      1.494690
  H     -10.483915     -4.332554      2.628297
  H     -10.563407     -6.001242      3.241158
  H      -8.203073     -4.733019      1.694065
  H      -8.323146     -6.454198      2.053441
  H      -8.332546     -5.925703      4.502783
  H      -9.277194     -3.649980      4.310475
  H      -7.772241     -3.079619      3.587087
  H      -7.823739     -4.319642      6.292582
  H      -7.836143     -1.191532      4.336039
  H      -7.031198      0.937457      5.253343
  H      -6.146757      1.091492      7.567548
  H      -5.599956      0.301237      9.704788
  H      -6.852728     -3.145784      8.068213
  H      -0.704502     -3.737177      5.786895
  H      -1.115403     -3.423876      7.486525
  H      -0.371715     -2.156741      6.503723
  H      -2.738020     -1.606867      6.717092
  H      -2.412171     -2.035101      5.042085
  H      -4.561142     -2.798058      5.896574
  H      -3.005696     -4.572878      7.842416
  H      -4.094713     -3.214138      8.176922
  H      -5.317595     -5.225160      6.475572
  H      -7.077059     -6.595963      7.247445
  H      -8.340856     -7.509663      9.179525
  H      -7.721341     -6.910125     11.506487
  H      -6.471562     -5.870298     13.184896
  H      -4.504034     -4.453508      9.990717
  N      -5.436219     -2.734174      3.529217
  H      -5.723153     -1.749359      3.579039
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.730227017600
  N      -3.908292     -4.316641      1.772365
  C      -3.481287     -5.560490      1.121729
  C      -2.951123     -6.497854      2.190429
  N      -3.925063     -6.528760      3.305284
  C      -5.046604     -7.454396      3.031726
  C      -6.260059     -7.000394      3.813101
  N      -6.470539     -5.556325      3.637106
  Mo     -4.882119     -4.373131      3.478580
  N      -3.671121     -4.443568      5.026706
  C      -2.671901     -5.512472      5.130285
  C      -3.274558     -6.802835      4.609161
  H      -2.362147     -5.657904      6.175671
  H      -1.762504     -5.243099      4.565292
  H      -4.049949     -7.139872      5.310615
  H      -2.524045     -7.605191      4.511668
  H      -7.139508     -7.557957      3.453209
  H      -6.158663     -7.241544      4.889136
  H      -5.272918     -7.395606      1.957785
  H      -4.767175     -8.494907      3.269610
  H      -2.688844     -5.359572      0.386360
  H      -4.320072     -6.021352      0.570546
  H      -2.005050     -6.095980      2.576522
  H      -2.765867     -7.514274      1.804257
  C      -1.703118     -1.452600      0.587307
  C      -2.107113     -2.919768      0.724979
  C      -3.610081     -3.080711      1.023078
  C      -4.460298     -2.967020     -0.261675
  N      -5.884598     -2.848888     -0.039069
  C      -6.466609     -1.783614      0.621091
  C      -5.770406     -0.587122      0.896597
  C      -6.415876      0.453016      1.565778
  C      -7.742494      0.350136      1.982018
  C      -8.445536     -0.830829      1.693257
  S     -10.130542     -1.079146      2.174441
  C      -7.815099     -1.878819      1.018754
  C     -10.138692     -5.372444      2.463142
  C      -8.613977     -5.465975      2.423624
  C      -7.909082     -5.219967      3.770628
  C      -8.182193     -3.817032      4.300996
  N      -7.582649     -3.613280      5.604229
  C      -7.317371     -2.354288      6.119833
  C      -7.392278     -1.181621      5.339997
  C      -6.960477      0.035274      5.875549
  C      -6.468873      0.128909      7.174707
  C      -6.448856     -1.028696      7.973110
  S      -5.868617     -1.028140      9.646963
  C      -6.880860     -2.249794      7.456224
  C      -1.085061     -2.985456      6.477405
  C      -2.456509     -2.453341      6.058777
  C      -3.661483     -3.410916      6.092569
  C      -3.893670     -4.048935      7.469717
  N      -5.034827     -4.923730      7.398569
  C      -5.704293     -5.450503      8.473629
  C      -6.803916     -6.313133      8.252907
  C      -7.524050     -6.811798      9.332749
  C      -7.191313     -6.478311     10.647817
  C      -6.100970     -5.626169     10.872409
  S      -5.592895     -5.133636     12.494036
  C      -5.358172     -5.117338      9.797938
  H      -0.627906     -1.359904      0.382339
  H      -1.919856     -0.899019      1.513435
  H      -2.239825     -0.954963     -0.233391
  H      -1.539998     -3.378442      1.550522
  H      -1.833557     -3.467262     -0.192711
  H      -3.897716     -2.253089      1.681928
  H      -4.105317     -2.101208     -0.843805
  H      -4.288959     -3.847710     -0.897870
  H      -6.408511     -3.716464     -0.006732
  H      -4.737364     -0.455853      0.578212
  H      -5.862222      1.370779      1.772258
  H      -8.226264      1.168631      2.515031
  H     -10.300565      0.119492      2.777839
  H      -8.375436     -2.787318      0.787941
  H     -10.566100     -5.706689      1.507460
  H     -10.482326     -4.343701      2.636196
  H     -10.559540     -6.010383      3.254847
  H      -8.203188     -4.743076      1.701411
  H      -8.320128     -6.464099      2.063764
  H      -8.325499     -5.932154      4.511981
  H      -9.274180     -3.657833      4.318733
  H      -7.771312     -3.086165      3.591512
  H      -7.822527     -4.317540      6.300541
  H      -7.828656     -1.192438      4.340578
  H      -7.016571      0.934278      5.258257
  H      -6.131389      1.085741      7.572946
  H      -5.592850      0.295109      9.711826
  H      -6.851898     -3.148659      8.074099
  H      -0.693014     -3.739107      5.782312
  H      -1.103479     -3.428777      7.482568
  H      -0.360429     -2.159771      6.501745
  H      -2.725401     -1.609245      6.715409
  H      -2.401169     -2.037056      5.040089
  H      -4.550566     -2.797724      5.897043
  H      -2.992290     -4.576566      7.837212
  H      -4.085766     -3.222206      8.175789
  H      -5.309216     -5.225716      6.469520
  H      -7.075675     -6.585871      7.229437
  H      -8.369662     -7.478377      9.151442
  H      -7.769567     -6.875246     11.482247
  H      -6.530102     -5.837393     13.169365
  H      -4.512367     -4.457536      9.992080
  N      -5.436749     -2.737093      3.531257
  H      -5.724118     -1.752624      3.583353
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.730275153226
  N      -3.907676     -4.316322      1.770465
  C      -3.481714     -5.559483      1.117873
  C      -2.949025     -6.497508      2.184713
  N      -3.920937     -6.529389      3.301434
  C      -5.042371     -7.455834      3.029589
  C      -6.254584     -7.003164      3.813672
  N      -6.466281     -5.558953      3.639360
  Mo     -4.879008     -4.374827      3.477978
  N      -3.664371     -4.444591      5.023477
  C      -2.664685     -5.513406      5.124554
  C      -3.267822     -6.803711      4.603982
  H      -2.353322     -5.659617      6.169348
  H      -1.756232     -5.243329      4.558359
  H      -4.041695     -7.141213      5.306903
  H      -2.517301     -7.605868      4.504774
  H      -7.134362     -7.560817      3.454779
  H      -6.151124     -7.245239      4.889209
  H      -5.270909     -7.396663      1.956139
  H      -4.761562     -8.496205      3.266388
  H      -2.691039     -5.357597      0.380853
  H      -4.321633     -6.020220      0.568327
  H      -2.002265     -6.095729      2.569169
  H      -2.764519     -7.513650      1.797510
  C      -1.704177     -1.451207      0.586352
  C      -2.108014     -2.918568      0.722084
  C      -3.610597     -3.079813      1.021874
  C      -4.462120     -2.964970     -0.262027
  N      -5.886116     -2.848127     -0.038105
  C      -6.469195     -1.784455      0.622970
  C      -5.773950     -0.587806      0.900487
  C      -6.420255      0.450555      1.571503
  C      -7.746779      0.345759      1.987670
  C      -8.448994     -0.835134      1.696503
  S     -10.133681     -1.085337      2.177571
  C      -7.817803     -1.881297      1.019875
  C     -10.137508     -5.373303      2.476901
  C      -8.613082     -5.468400      2.432307
  C      -7.904406     -5.222828      3.777227
  C      -8.176421     -3.820255      4.309494
  N      -7.572583     -3.617247      5.610937
  C      -7.312378     -2.356443      6.125316
  C      -7.387907     -1.185121      5.343644
  C      -6.960856      0.033742      5.878874
  C      -6.473205      0.130416      7.179297
  C      -6.453113     -1.026000      7.979476
  S      -5.878342     -1.021789      9.655272
  C      -6.880667     -2.248853      7.462918
  C      -1.076886     -2.988950      6.474916
  C      -2.449057     -2.456800      6.058489
  C      -3.653858     -3.414562      6.091757
  C      -3.884391     -4.056692      7.467704
  N      -5.022506     -4.935387      7.393877
  C      -5.702993     -5.452702      8.466128
  C      -6.809032     -6.306277      8.241273
  C      -7.540422     -6.794888      9.318160
  C      -7.212857     -6.459984     10.634167
  C      -6.116105     -5.616973     10.862723
  S      -5.613534     -5.123751     12.485776
  C      -5.361991     -5.118473      9.791301
  H      -0.629531     -1.358131      0.378632
  H      -1.918363     -0.899534      1.514228
  H      -2.243209     -0.951764     -0.231742
  H      -1.539877     -3.378793      1.546056
  H      -1.835897     -3.464634     -0.196910
  H      -3.897393     -2.252576      1.681616
  H      -4.108062     -2.098336     -0.843562
  H      -4.290891     -3.844876     -0.899361
  H      -6.410483     -3.715491     -0.010181
  H      -4.741129     -0.454938      0.581821
  H      -5.867347      1.368447      1.779541
  H      -8.231158      1.162651      2.522621
  H     -10.304568      0.112577      2.782125
  H      -8.377431     -2.789790      0.786885
  H     -10.568556     -5.708136      1.523042
  H     -10.479153     -4.343909      2.649992
  H     -10.556441     -6.009837      3.270813
  H      -8.203963     -4.745908      1.708721
  H      -8.320891     -6.466838      2.072028
  H      -8.318888     -5.935342      4.519403
  H      -9.268439     -3.661848      4.331313
  H      -7.768557     -3.088478      3.599135
  H      -7.820449     -4.318021      6.308636
  H      -7.822310     -1.198109      4.343059
  H      -7.017591      0.931765      5.260219
  H      -6.139318      1.088655      7.577390
  H      -5.609645      0.302937      9.720311
  H      -6.853591     -3.146169      8.083171
  H      -0.684628     -3.740453      5.777622
  H      -1.094176     -3.434913      7.478948
  H      -0.352996     -2.162657      6.500954
  H      -2.717264     -1.613627      6.716563
  H      -2.394819     -2.039010      5.040340
  H      -4.543345     -2.801005      5.898780
  H      -2.981292     -4.582122      7.833661
  H      -4.079486     -3.232412      8.175811
  H      -5.303329     -5.226404      6.463250
  H      -7.076095     -6.580509      7.216981
  H      -8.390832     -7.454478      9.133732
  H      -7.799793     -6.849003     11.466233
  H      -6.563170     -5.814293     13.157377
  H      -4.511362     -4.465671      9.988533
  N      -5.434359     -2.739158      3.533046
  H      -5.721202     -1.754665      3.586860
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.730336661615
  N      -3.907769     -4.316315      1.766711
  C      -3.481998     -5.558592      1.112355
  C      -2.945695     -6.496518      2.177514
  N      -3.915313     -6.529836      3.296310
  C      -5.035779     -7.458226      3.026687
  C      -6.247064     -7.007845      3.813507
  N      -6.461272     -5.563693      3.640521
  Mo     -4.876375     -4.377194      3.475569
  N      -3.658047     -4.444502      5.018418
  C      -2.656769     -5.512177      5.117094
  C      -3.259178     -6.803205      4.597585
  H      -2.343455     -5.658597      6.161265
  H      -1.749665     -5.240600      4.549431
  H      -4.031128     -7.141624      5.302183
  H      -2.507872     -7.604469      4.496935
  H      -7.126686     -7.566420      3.455776
  H      -6.141188     -7.250535      4.888560
  H      -5.266791     -7.399234      1.953758
  H      -4.752542     -8.498104      3.262694
  H      -2.693512     -5.355257      0.373369
  H      -4.322811     -6.020094      0.564831
  H      -1.998490     -6.093955      2.560001
  H      -2.761226     -7.512348      1.789551
  C      -1.707972     -1.448745      0.583636
  C      -2.110806     -2.916545      0.716961
  C      -3.612820     -3.078914      1.018887
  C      -4.466329     -2.963018     -0.263663
  N      -5.889704     -2.847533     -0.036587
  C      -6.472446     -1.785392      0.626613
  C      -5.776816     -0.589241      0.905752
  C      -6.422029      0.447424      1.580263
  C      -7.747862      0.341489      1.998463
  C      -8.450639     -0.838551      1.705256
  S     -10.134302     -1.089702      2.189083
  C      -7.820573     -1.883044      1.024986
  C     -10.135130     -5.378125      2.486690
  C      -8.610933     -5.474379      2.439119
  C      -7.899231     -5.228977      3.782479
  C      -8.171626     -3.827054      4.316812
  N      -7.564765     -3.623651      5.616878
  C      -7.305501     -2.363245      6.133007
  C      -7.380931     -1.190917      5.353027
  C      -6.954901      0.027426      5.890539
  C      -6.467929      0.122202      7.191442
  C      -6.448413     -1.035392      7.989936
  S      -5.875167     -1.033721      9.666313
  C      -6.875409     -2.257503      7.471143
  C      -1.070830     -2.987431      6.470956
  C      -2.444292     -2.457474      6.055733
  C      -3.647718     -3.416930      6.088788
  C      -3.875896     -4.062721      7.464022
  N      -5.008621     -4.948613      7.388959
  C      -5.703745     -5.451443      8.458576
  C      -6.815067     -6.297223      8.229306
  C      -7.561334     -6.771308      9.302501
  C      -7.243816     -6.429534     10.619100
  C      -6.141770     -5.594679     10.852082
  S      -5.650215     -5.094213     12.476200
  C      -5.372809     -5.110867      9.784509
  H      -0.634109     -1.354569      0.372459
  H      -1.919265     -0.899594      1.513692
  H      -2.250221     -0.947362     -0.231167
  H      -1.541133     -3.378400      1.538952
  H      -1.840234     -3.460711     -0.203648
  H      -3.898994     -2.252204      1.679636
  H      -4.113832     -2.095612     -0.845063
  H      -4.295624     -3.842121     -0.902271
  H      -6.414732     -3.714515     -0.012993
  H      -4.744590     -0.455462      0.585259
  H      -5.868757      1.364824      1.789663
  H      -8.231272      1.156728      2.536841
  H     -10.303776      0.106797      2.796791
  H      -8.380470     -2.791057      0.790683
  H     -10.568320     -5.713351      1.533915
  H     -10.475234     -4.348193      2.659626
  H     -10.553249     -6.013537      3.281872
  H      -8.202925     -4.752217      1.714582
  H      -8.319849     -6.473160      2.078953
  H      -8.311553     -5.942288      4.525161
  H      -9.263862     -3.670819      4.342173
  H      -7.767251     -3.093776      3.605799
  H      -7.814141     -4.322939      6.316017
  H      -7.815959     -1.202300      4.352205
  H      -7.011824      0.926467      5.273400
  H      -6.134612      1.079852      7.591661
  H      -5.610051      0.291594      9.734658
  H      -6.850651     -3.155214      8.091025
  H      -0.677269     -3.737234      5.772584
  H      -1.086682     -3.434684      7.474454
  H      -0.348723     -2.159598      6.497748
  H      -2.713148     -1.615004      6.714422
  H      -2.391350     -2.038994      5.037789
  H      -4.538287     -2.804107      5.898074
  H      -2.969887     -4.583347      7.829089
  H      -4.076154     -3.240592      8.173207
  H      -5.296470     -5.229808      6.457433
  H      -7.073578     -6.577611      7.204531
  H      -8.415626     -7.424857      9.114523
  H      -7.842184     -6.807382     11.448136
  H      -6.612177     -5.771642     13.143606
  H      -4.518560     -4.464376      9.985667
  N      -5.434192     -2.742453      3.532773
  H      -5.721743     -1.758345      3.588931
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.730539952956
  N      -3.905121     -4.316964      1.759406
  C      -3.481497     -5.558279      1.102059
  C      -2.937796     -6.495607      2.164032
  N      -3.902174     -6.530015      3.287646
  C      -5.021132     -7.462266      3.024292
  C      -6.229962     -7.014934      3.816603
  N      -6.448801     -5.570967      3.644915
  Mo     -4.869196     -4.380287      3.470522
  N      -3.645121     -4.441936      5.008975
  C      -2.639392     -5.506234      5.102283
  C      -3.239360     -6.799729      4.586386
  H      -2.320550     -5.651889      6.144802
  H      -1.736091     -5.231163      4.530145
  H      -4.006583     -7.140510      5.294948
  H      -2.485601     -7.598425      4.483135
  H      -7.109789     -7.575239      3.462206
  H      -6.118743     -7.257590      4.890870
  H      -5.257455     -7.405432      1.952414
  H      -4.733344     -8.500836      3.260403
  H      -2.698451     -5.353452      0.357726
  H      -4.325201     -6.021287      0.560252
  H      -1.989022     -6.092255      2.541659
  H      -2.754910     -7.511303      1.775142
  C      -1.713139     -1.446425      0.571252
  C      -2.114345     -2.914714      0.703194
  C      -3.614892     -3.078498      1.011862
  C      -4.473872     -2.960732     -0.267139
  N      -5.895841     -2.848865     -0.032838
  C      -6.479307     -1.790080      0.633238
  C      -5.783722     -0.594501      0.916246
  C      -6.427659      0.438022      1.597967
  C      -7.752173      0.328669      2.019721
  C      -8.455489     -0.849772      1.721168
  S     -10.137233     -1.103601      2.209752
  C      -7.826848     -1.890141      1.033359
  C     -10.130260     -5.383377      2.517843
  C      -8.606904     -5.484037      2.460034
  C      -7.885917     -5.238611      3.798210
  C      -8.158507     -3.838364      4.338185
  N      -7.539329     -3.633412      5.632178
  C      -7.285206     -2.372224      6.150152
  C      -7.363191     -1.198800      5.372416
  C      -6.942508      0.020104      5.913405
  C      -6.456816      0.113868      7.215003
  C      -6.434573     -1.045482      8.010873
  S      -5.861347     -1.046328      9.687397
  C      -6.857776     -2.267700      7.488959
  C      -1.064176     -2.977480      6.459500
  C      -2.443567     -2.454312      6.055034
  C      -3.639729     -3.422431      6.086170
  C      -3.859024     -4.080312      7.458534
  N      -4.973250     -4.990290      7.378203
  C      -5.703841     -5.459713      8.439290
  C      -6.828207     -6.284873      8.196614
  C      -7.609382     -6.726818      9.258607
  C      -7.314065     -6.373844     10.577298
  C      -6.198121     -5.561553     10.823798
  S      -5.730827     -5.050537     12.451560
  C      -5.394741     -5.109814      9.767552
  H      -0.641229     -1.350879      0.351058
  H      -1.916596     -0.900440      1.504945
  H      -2.262883     -0.942378     -0.236889
  H      -1.540661     -3.378480      1.521282
  H      -1.848342     -3.456919     -0.219950
  H      -3.898483     -2.252463      1.674671
  H      -4.125210     -2.091299     -0.847966
  H      -4.304391     -3.837967     -0.908672
  H      -6.422861     -3.714602     -0.022228
  H      -4.752650     -0.458359      0.592568
  H      -5.874505      1.354806      1.810670
  H      -8.234197      1.140150      2.565057
  H     -10.303978      0.089631      2.824495
  H      -8.386575     -2.797305      0.794930
  H     -10.571068     -5.719417      1.568822
  H     -10.465442     -4.351811      2.690755
  H     -10.545095     -6.015385      3.317485
  H      -8.202065     -4.764306      1.731335
  H      -8.320108     -6.484462      2.100982
  H      -8.292333     -5.953469      4.542765
  H      -9.251333     -3.689042      4.376442
  H      -7.766605     -3.100731      3.624423
  H      -7.795073     -4.325828      6.336893
  H      -7.798738     -1.209396      4.370970
  H      -7.002466      0.920371      5.298348
  H      -6.126988      1.071450      7.618805
  H      -5.607012      0.280890      9.760826
  H      -6.834842     -3.165298      8.109470
  H      -0.668208     -3.717887      5.752415
  H      -1.071774     -3.434113      7.458909
  H      -0.348431     -2.144290      6.490691
  H      -2.714325     -1.617717      6.720367
  H      -2.398464     -2.029106      5.039482
  H      -4.535305     -2.814517      5.902597
  H      -2.943779     -4.585320      7.820608
  H      -4.075713     -3.265854      8.171856
  H      -5.287557     -5.231533      6.443861
  H      -7.067423     -6.576033      7.170294
  H      -8.473776     -7.363659      9.059774
  H      -7.939195     -6.726969     11.397368
  H      -6.723415     -5.695824     13.105831
  H      -4.531098     -4.480189      9.980271
  N      -5.431503     -2.747210      3.530493
  H      -5.718720     -1.763318      3.588708
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.730707522155
  N      -3.903234     -4.318084      1.750446
  C      -3.480469     -5.557762      1.089563
  C      -2.930108     -6.495162      2.148129
  N      -3.890071     -6.531923      3.275689
  C      -5.007103     -7.467870      3.016665
  C      -6.214167     -7.024934      3.814120
  N      -6.437482     -5.581126      3.645441
  Mo     -4.863207     -4.385547      3.463554
  N      -3.633806     -4.442407      4.997722
  C      -2.624027     -5.503591      5.085740
  C      -3.221738     -6.799029      4.572221
  H      -2.300377     -5.649138      6.126740
  H      -1.724174     -5.224973      4.509849
  H      -3.985137     -7.141788      5.283894
  H      -2.465883     -7.595477      4.466600
  H      -7.093896     -7.586591      3.461713
  H      -6.098325     -7.268963      4.887444
  H      -5.247951     -7.411658      1.945758
  H      -4.714804     -8.505451      3.251505
  H      -2.702011     -5.350415      0.341125
  H      -4.326117     -6.022091      0.551931
  H      -1.980275     -6.090915      2.522016
  H      -2.747909     -7.510317      1.757624
  C      -1.718044     -1.443357      0.562328
  C      -2.117761     -2.912293      0.690217
  C      -3.616978     -3.077843      1.004629
  C      -4.481003     -2.957268     -0.270867
  N      -5.901679     -2.847720     -0.029468
  C      -6.484014     -1.792453      0.641906
  C      -5.787474     -0.598054      0.928626
  C      -6.428560      0.430236      1.619108
  C      -7.751249      0.318038      2.045999
  C      -8.455934     -0.858434      1.742908
  S     -10.135628     -1.114094      2.237107
  C      -7.830203     -1.894669      1.046221
  C     -10.124248     -5.389724      2.536966
  C      -8.601497     -5.493711      2.472413
  C      -7.874050     -5.251580      3.807663
  C      -8.146963     -3.854353      4.355829
  N      -7.519464     -3.652804      5.646559
  C      -7.269589     -2.392470      6.170580
  C      -7.349248     -1.215636      5.398542
  C      -6.933447      0.001925      5.946539
  C      -6.450028      0.090515      7.249391
  C      -6.426331     -1.072740      8.039542
  S      -5.856695     -1.080625      9.717325
  C      -6.845631     -2.293396      7.510653
  C      -1.059028     -2.967818      6.445628
  C      -2.444123     -2.452595      6.050294
  C      -3.632993     -3.429592      6.080482
  C      -3.843113     -4.096451      7.450912
  N      -4.938341     -5.029880      7.367705
  C      -5.702693     -5.459344      8.421966
  C      -6.840434     -6.263983      8.171215
  C      -7.654184     -6.666852      9.224293
  C      -7.378666     -6.295290     10.542075
  C      -6.248672     -5.505300     10.797002
  S      -5.803071     -4.974260     12.424232
  C      -5.413013     -5.092656      9.749809
  H      -0.647923     -1.346038      0.334382
  H      -1.914662     -0.902034      1.500220
  H      -2.274483     -0.935554     -0.238873
  H      -1.540400     -3.379241      1.503873
  H      -1.855877     -3.451011     -0.236181
  H      -3.898398     -2.253068      1.669992
  H      -4.135363     -2.086186     -0.851166
  H      -4.313351     -3.832760     -0.915255
  H      -6.430610     -3.712144     -0.029257
  H      -4.758014     -0.459809      0.600544
  H      -5.874706      1.345918      1.834817
  H      -8.230885      1.125870      2.598848
  H     -10.299532      0.076611      2.857442
  H      -8.390550     -2.800670      0.804657
  H     -10.569988     -5.724348      1.589725
  H     -10.455705     -4.357241      2.711632
  H     -10.537438     -6.020740      3.338229
  H      -8.198460     -4.774069      1.742644
  H      -8.317798     -6.494581      2.112158
  H      -8.276071     -5.969748      4.551479
  H      -9.240099     -3.710477      4.403836
  H      -7.764195     -3.111355      3.642519
  H      -7.779706     -4.342931      6.352906
  H      -7.785253     -1.222115      4.396724
  H      -6.995507      0.905237      5.336178
  H      -6.123850      1.046770      7.659485
  H      -5.610630      0.247718      9.799125
  H      -6.824827     -3.192913      8.128682
  H      -0.660264     -3.700124      5.731688
  H      -1.058868     -3.431587      7.441769
  H      -0.349815     -2.129203      6.479872
  H      -2.717494     -1.621155      6.720980
  H      -2.406490     -2.022021      5.036704
  H      -4.533587     -2.827143      5.902927
  H      -2.919017     -4.585110      7.811459
  H      -4.075856     -3.288170      8.166355
  H      -5.276282     -5.235415      6.432865
  H      -7.062696     -6.571587      7.145985
  H      -8.528902     -7.287291      9.018831
  H      -8.029047     -6.618144     11.354925
  H      -6.823095     -5.584960     13.069437
  H      -4.539376     -4.479837      9.969718
  N      -5.430816     -2.754419      3.527394
  H      -5.719291     -1.771236      3.589146
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.730903597029
  N      -3.898944     -4.320056      1.745100
  C      -3.478783     -5.559885      1.083077
  C      -2.924163     -6.496552      2.140089
  N      -3.880568     -6.532361      3.270926
  C      -4.997145     -7.470368      3.017091
  C      -6.202157     -7.027948      3.817973
  N      -6.427661     -5.584285      3.649050
  Mo     -4.857117     -4.386770      3.459174
  N      -3.626465     -4.439879      4.991946
  C      -2.612778     -5.497906      5.076261
  C      -3.208079     -6.795729      4.566126
  H      -2.284372     -5.641871      6.115862
  H      -1.716333     -5.216712      4.496253
  H      -3.968120     -7.140080      5.280530
  H      -2.449975     -7.589965      4.459476
  H      -7.082523     -7.590384      3.468447
  H      -6.082549     -7.271050      4.890921
  H      -5.241483     -7.416789      1.946844
  H      -4.702567     -8.506989      3.253257
  H      -2.704283     -5.352858      0.330472
  H      -4.326883     -6.025106      0.550028
  H      -1.972877     -6.092538      2.510459
  H      -2.744096     -7.512049      1.749587
  C      -1.719695     -1.445316      0.546316
  C      -2.118611     -2.914249      0.676425
  C      -3.616374     -3.079866      0.998062
  C      -4.485708     -2.958735     -0.274012
  N      -5.905051     -2.851370     -0.026228
  C      -6.487525     -1.797767      0.646102
  C      -5.790153     -0.604192      0.935300
  C      -6.429658      0.421744      1.630555
  C      -7.751579      0.308185      2.059618
  C      -8.457495     -0.866728      1.753001
  S     -10.136580     -1.122299      2.249248
  C      -7.833499     -1.900626      1.051425
  C     -10.119269     -5.386866      2.558979
  C      -8.597352     -5.496155      2.487039
  C      -7.863377     -5.255253      3.818728
  C      -8.135684     -3.859583      4.371739
  N      -7.500170     -3.657889      5.658476
  C      -7.253981     -2.397181      6.184571
  C      -7.336917     -1.218804      5.415382
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  C      -6.417604     -1.078879      8.057777
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  C      -6.831798     -2.299768      7.525117
  C      -1.063982     -2.951471      6.436633
  C      -2.456680     -2.445820      6.055700
  C      -3.634739     -3.435589      6.081774
  C      -3.834892     -4.114539      7.448735
  N      -4.908150     -5.074829      7.359247
  C      -5.699731     -5.473991      8.406590
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  C      -7.686505     -6.635611      9.190948
  C      -7.423966     -6.255557     10.508954
  C      -6.281888     -5.486249     10.773241
  S      -5.849829     -4.947945     12.401552
  C      -5.422594     -5.100763      9.734717
  H      -0.651375     -1.347833      0.310191
  H      -1.908997     -0.904469      1.485988
  H      -2.282276     -0.936870     -0.250183
  H      -1.537419     -3.381287      1.487259
  H      -1.861428     -3.453254     -0.251144
  H      -3.894795     -2.255053      1.664664
  H      -4.143033     -2.086440     -0.854373
  H      -4.319739     -3.833286     -0.920108
  H      -6.436500     -3.713957     -0.037434
  H      -4.761339     -0.465336      0.605241
  H      -5.875443      1.336765      1.848323
  H      -8.229735      1.114157      2.616496
  H     -10.298334      0.067558      2.871706
  H      -8.394306     -2.805588      0.806694
  H     -10.571072     -5.721171      1.614494
  H     -10.445966     -4.352895      2.733894
  H     -10.530654     -6.015061      3.363470
  H      -8.195417     -4.779152      1.754105
  H      -8.318191     -6.498704      2.127809
  H      -8.262081     -5.974637      4.563172
  H      -9.229058     -3.721018      4.429049
  H      -7.762148     -3.112889      3.657279
  H      -7.759565     -4.345769      6.368035
  H      -7.772596     -1.224603      4.412967
  H      -6.992971      0.903792      5.359414
  H      -6.124141      1.042894      7.685063
  H      -5.609363      0.239912      9.821649
  H      -6.810164     -3.199881      8.142571
  H      -0.662437     -3.670797      5.711063
  H      -1.052790     -3.427694      7.426865
  H      -0.363145     -2.106119      6.477076
  H      -2.733849     -1.623748      6.736281
  H      -2.429493     -2.005029      5.046170
  H      -4.541948     -2.841126      5.910604
  H      -2.901691     -4.585267      7.807710
  H      -4.085962     -3.315056      8.167970
  H      -5.273600     -5.234573      6.425248
  H      -7.059013     -6.576114      7.121827
  H      -8.570065     -7.240804      8.978020
  H      -8.092955     -6.557198     11.314778
  H      -6.891023     -5.532435     13.037114
  H      -4.540316     -4.503461      9.962463
  N      -5.428056     -2.756799      3.523952
  H      -5.716230     -1.773701      3.586033
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.731085035477
  N      -3.893090     -4.322456      1.740004
  C      -3.475239     -5.563286      1.078594
  C      -2.917592     -6.498310      2.135495
  N      -3.871149     -6.531871      3.268918
  C      -4.987614     -7.471267      3.020189
  C      -6.190762     -7.027945      3.823270
  N      -6.417632     -5.584595      3.652632
  Mo     -4.850086     -4.385916      3.454897
  N      -3.620028     -4.435539      4.987424
  C      -2.602811     -5.490547      5.069584
  C      -3.195781     -6.790940      4.563518
  H      -2.269920     -5.631711      6.107969
  H      -1.709602     -5.207766      4.485296
  H      -3.953140     -7.136085      5.280249
  H      -2.435503     -7.583172      4.456948
  H      -7.071843     -7.591159      3.476737
  H      -6.068136     -7.268999      4.896224
  H      -5.234534     -7.421234      1.950368
  H      -4.691743     -8.506941      3.258893
  H      -2.703917     -5.357764      0.322372
  H      -4.325350     -6.029691      0.549685
  H      -1.965077     -6.094392      2.502788
  H      -2.739422     -7.514533      1.746061
  C      -1.722093     -1.448853      0.521586
  C      -2.119378     -2.917675      0.658486
  C      -3.615196     -3.083316      0.989592
  C      -4.491361     -2.963768     -0.278146
  N      -5.909080     -2.857933     -0.022427
  C      -6.490489     -1.804359      0.649618
  C      -5.791116     -0.611754      0.938857
  C      -6.427642      0.413408      1.637947
  C      -7.748464      0.300171      2.070505
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  C      -7.835936     -1.906289      1.057555
  C     -10.112671     -5.385111      2.574949
  C      -8.591227     -5.496297      2.497857
  C      -7.853089     -5.256900      3.827384
  C      -8.126185     -3.863389      4.385439
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  C      -7.241745     -2.403112      6.200137
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  C      -6.919687     -0.005424      5.993181
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  C      -6.409718     -1.090521      8.079502
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  C      -1.072974     -2.931921      6.426586
  C      -2.473687     -2.435679      6.063121
  C      -3.639707     -3.439267      6.083705
  C      -3.830955     -4.128990      7.447150
  N      -4.881003     -5.117308      7.350759
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  C      -7.463800     -6.219341     10.478027
  C      -6.309118     -5.472691     10.751835
  S      -5.886097     -4.932682     12.381812
  C      -5.429435     -5.111513      9.721440
  H      -0.655841     -1.351519      0.276261
  H      -1.903592     -0.905762      1.461468
  H      -2.291379     -0.942436     -0.271423
  H      -1.533111     -3.382179      1.467076
  H      -1.867555     -3.459229     -0.269055
  H      -3.890125     -2.257832      1.656796
  H      -4.152214     -2.090928     -0.859877
  H      -4.327881     -3.838283     -0.924880
  H      -6.443425     -3.718376     -0.043584
  H      -4.762954     -0.473868      0.606332
  H      -5.872268      1.327732      1.855813
  H      -8.224066      1.105820      2.630055
  H     -10.293856      0.063678      2.884639
  H      -8.398146     -2.810045      0.811500
  H     -10.568460     -5.718835      1.632193
  H     -10.437581     -4.350771      2.751093
  H     -10.521697     -6.012614      3.381255
  H      -8.190653     -4.780383      1.763175
  H      -8.314299     -6.499485      2.138490
  H      -8.248997     -5.978259      4.571323
  H      -9.219849     -3.729636      4.448771
  H      -7.759399     -3.112784      3.671690
  H      -7.744093     -4.349970      6.381288
  H      -7.761114     -1.224816      4.432579
  H      -6.987382      0.901536      5.388797
  H      -6.121283      1.033428      7.716815
  H      -5.604374      0.221974      9.848985
  H      -6.799371     -3.211779      8.156614
  H      -0.669733     -3.635889      5.686900
  H      -1.049187     -3.423227      7.409271
  H      -0.380641     -2.079992      6.474797
  H      -2.754532     -1.625250      6.756034
  H      -2.458478     -1.982193      5.058969
  H      -4.553673     -2.853709      5.917496
  H      -2.889591     -4.580935      7.806733
  H      -4.101529     -3.338179      8.168969
  H      -5.277103     -5.226554      6.421027
  H      -7.060722     -6.572390      7.098783
  H      -8.610492     -7.191265      8.938814
  H      -8.149076     -6.501655     11.277112
  H      -6.948441     -5.489163     13.007404
  H      -4.538111     -4.531263      9.957258
  N      -5.423602     -2.756704      3.519086
  H      -5.710365     -1.773204      3.579770
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.731219599052
  N      -3.885525     -4.325746      1.738676
  C      -3.469859     -5.569111      1.080998
  C      -2.913050     -6.501664      2.140441
  N      -3.866103     -6.530668      3.274359
  C      -4.984668     -7.468282      3.028706
  C      -6.186401     -7.019983      3.831241
  N      -6.410845     -5.576596      3.656821
  Mo     -4.842821     -4.381269      3.453863
  N      -3.617771     -4.431059      4.989399
  C      -2.599206     -5.484593      5.072966
  C      -3.191136     -6.786683      4.569777
  H      -2.264480     -5.622386      6.111038
  H      -1.707295     -5.202592      4.486249
  H      -3.947989     -7.131744      5.286965
  H      -2.429590     -7.577975      4.464825
  H      -7.068982     -7.582508      3.487306
  H      -6.062953     -7.257994      4.904724
  H      -5.231657     -7.421919      1.958757
  H      -4.691240     -8.503763      3.271354
  H      -2.699256     -5.367497      0.323034
  H      -4.321075     -6.036264      0.554354
  H      -1.959831     -6.098255      2.506566
  H      -2.736475     -7.519180      1.753612
  C      -1.723450     -1.456482      0.489194
  C      -2.118764     -2.924700      0.639781
  C      -3.612316     -3.089326      0.981900
  C      -4.495652     -2.974118     -0.281483
  N      -5.912004     -2.868257     -0.019497
  C      -6.492632     -1.812015      0.648370
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  C      -7.838541     -1.911048      1.056134
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  C      -8.585642     -5.483816      2.503154
  C      -7.845809     -5.245759      3.831829
  C      -8.116567     -3.852072      4.389976
  N      -7.479003     -3.652331      5.675625
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  C      -6.408737     -1.078916      8.087237
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  C      -3.649917     -3.440280      6.089824
  C      -3.839904     -4.136565      7.450086
  N      -4.875888     -5.142615      7.345300
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  C      -7.468055     -6.238612     10.469657
  C      -6.310200     -5.497661     10.745340
  S      -5.884195     -4.964064     12.376623
  C      -5.429534     -5.137324      9.715185
  H      -0.659168     -1.360567      0.234947
  H      -1.897800     -0.906482      1.426320
  H      -2.298630     -0.956217     -0.303438
  H      -1.526800     -3.382725      1.447876
  H      -1.872390     -3.472653     -0.285414
  H      -3.883372     -2.262190      1.648517
  H      -4.159476     -2.101824     -0.865822
  H      -4.334917     -3.850073     -0.926877
  H      -6.448663     -3.727076     -0.045214
  H      -4.762687     -0.484950      0.603124
  H      -5.869997      1.321706      1.848684
  H      -8.221450      1.105094      2.622547
  H     -10.294797      0.068711      2.874002
  H      -8.402240     -2.813906      0.810055
  H     -10.565132     -5.701069      1.640420
  H     -10.430110     -4.335342      2.761345
  H     -10.514966     -5.997706      3.389207
  H      -8.184385     -4.769857      1.767011
  H      -8.311515     -6.487927      2.143933
  H      -8.242596     -5.966462      4.575763
  H      -9.210234     -3.717488      4.452165
  H      -7.748746     -3.101241      3.677108
  H      -7.724545     -4.344841      6.385684
  H      -7.752230     -1.214899      4.437367
  H      -6.987105      0.913104      5.397040
  H      -6.126459      1.046448      7.727445
  H      -5.605774      0.233134      9.858065
  H      -6.793197     -3.200872      8.162746
  H      -0.683276     -3.608262      5.681126
  H      -1.056548     -3.417979      7.407648
  H      -0.401288     -2.059519      6.485631
  H      -2.779422     -1.626177      6.781663
  H      -2.485449     -1.960502      5.079358
  H      -4.568340     -2.861741      5.923762
  H      -2.895745     -4.577865      7.814044
  H      -4.124114     -3.351124      8.172460
  H      -5.284236     -5.227505      6.417285
  H      -7.066163     -6.585185      7.089844
  H      -8.619424     -7.201758      8.927859
  H      -8.154409     -6.519955     11.268145
  H      -6.950292     -5.515285     13.000470
  H      -4.535472     -4.560961      9.951808
  N      -5.416122     -2.751817      3.515932
  H      -5.700992     -1.767723      3.575083
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.731291257710
  N      -3.881812     -4.326333      1.737759
  C      -3.466303     -5.570689      1.081939
  C      -2.910195     -6.502096      2.142744
  N      -3.863376     -6.529512      3.276476
  C      -4.982578     -7.466224      3.031409
  C      -6.183958     -7.016222      3.833295
  N      -6.407551     -5.572952      3.657627
  Mo     -4.839017     -4.378486      3.453282
  N      -3.616195     -4.428813      4.989984
  C      -2.597588     -5.482125      5.074680
  C      -3.189279     -6.784679      4.572501
  H      -2.262401     -5.618268      6.112744
  H      -1.705982     -5.200962      4.487074
  H      -3.946414     -7.129327      5.289510
  H      -2.427403     -7.575793      4.468485
  H      -7.066956     -7.578556      3.489980
  H      -6.060605     -7.253129      4.907067
  H      -5.229125     -7.421111      1.961313
  H      -4.690278     -8.501705      3.275514
  H      -2.695495     -5.370589      0.323828
  H      -4.317466     -6.038316      0.555542
  H      -1.956958     -6.098612      2.508807
  H      -2.733702     -7.520074      1.757027
  C      -1.725818     -1.458156      0.471968
  C      -2.119200     -2.926235      0.630005
  C      -3.611489     -3.091166      0.977680
  C      -4.498714     -2.978763     -0.283281
  N      -5.914376     -2.872151     -0.017645
  C      -6.493327     -1.813849      0.648511
  C      -5.790452     -0.621831      0.931878
  C      -6.423255      0.407338      1.628819
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  S     -10.134858     -1.120888      2.262972
  C      -7.838719     -1.910888      1.058784
  C     -10.103403     -5.371787      2.581824
  C      -8.581939     -5.481469      2.502722
  C      -7.843185     -5.243612      3.832017
  C      -8.115843     -3.851128      4.391591
  N      -7.479350     -3.652979      5.677941
  C      -7.234264     -2.394426      6.209987
  C      -7.318728     -1.210988      5.448254
  C      -6.915574      0.004222      6.010017
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  C      -6.405555     -1.084963      8.093592
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  C      -3.653464     -3.439219      6.091301
  C      -3.843311     -4.135818      7.451087
  N      -4.874615     -5.148025      7.345457
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  S      -5.889966     -4.970648     12.377819
  C      -5.432459     -5.141670      9.716557
  H      -0.662418     -1.362437      0.213974
  H      -1.897652     -0.904261      1.407210
  H      -2.303673     -0.961914     -0.321216
  H      -1.524060     -3.380201      1.438045
  H      -1.875057     -3.477532     -0.293750
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  H      -4.164020     -2.107255     -0.869649
  H      -4.339828     -3.855911     -0.927444
  H      -6.451980     -3.730407     -0.043050
  H      -4.762152     -0.488745      0.598199
  H      -5.866017      1.321659      1.841961
  H      -8.215933      1.108755      2.620015
  H     -10.290980      0.075205      2.874801
  H      -8.403742     -2.813436      0.814786
  H     -10.560644     -5.702057      1.638637
  H     -10.430292     -4.338948      2.763076
  H     -10.509635     -6.003045      3.386734
  H      -8.182059     -4.765770      1.767540
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  H      -8.239169     -5.965676      4.574922
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  H      -7.722809     -4.347040      6.387029
  H      -7.752277     -1.212990      4.444755
  H      -6.984787      0.912494      5.407693
  H      -6.121725      1.040815      7.737377
  H      -5.597079      0.222309      9.865318
  H      -6.791302     -3.206600      8.165444
  H      -0.689468     -3.596726      5.672146
  H      -1.057057     -3.417840      7.401206
  H      -0.407677     -2.052421      6.485219
  H      -2.786982     -1.626447      6.791576
  H      -2.496766     -1.949705      5.086344
  H      -4.573350     -2.863264      5.924625
  H      -2.898527     -4.573323      7.817457
  H      -4.131967     -3.351008      8.172358
  H      -5.291462     -5.222818      6.419959
  H      -7.069727     -6.581475      7.087568
  H      -8.626882     -7.196141      8.922512
  H      -8.162788     -6.518893     11.264382
  H      -6.959544     -5.517876     12.999219
  H      -4.537584     -4.567697      9.955355
  N      -5.411431     -2.748523      3.514277
  H      -5.694163     -1.763636      3.571756
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.731367853912
  N      -3.878069     -4.327379      1.737690
  C      -3.461937     -5.572264      1.083293
  C      -2.907326     -6.503250      2.145224
  N      -3.861309     -6.529858      3.278150
  C      -4.981215     -7.465396      3.032406
  C      -6.182660     -7.014102      3.833541
  N      -6.404843     -5.570774      3.657490
  Mo     -4.835720     -4.377459      3.453321
  N      -3.615311     -4.429311      4.991219
  C      -2.596905     -5.482539      5.077102
  C      -3.188745     -6.785086      4.574953
  H      -2.261803     -5.617596      6.115272
  H      -1.705235     -5.202127      4.489224
  H      -3.946767     -7.129037      5.291271
  H      -2.426914     -7.576369      4.471869
  H      -7.066082     -7.575815      3.490145
  H      -6.059892     -7.250680      4.907534
  H      -5.226857     -7.420490      1.962095
  H      -4.690302     -8.501163      3.277105
  H      -2.690219     -5.373059      0.325921
  H      -4.312497     -6.040074      0.555999
  H      -1.954304     -6.099936      2.512110
  H      -2.730579     -7.521403      1.760005
  C      -1.727982     -1.458526      0.459844
  C      -2.118979     -2.926733      0.623669
  C      -3.610207     -3.092833      0.975534
  C      -4.500328     -2.982521     -0.283630
  N      -5.915765     -2.875178     -0.016008
  C      -6.493990     -1.815797      0.649360
  C      -5.790923     -0.623391      0.930391
  C      -6.422892      0.406352      1.627463
  C      -7.742382      0.297880      2.064934
  C      -8.454706     -0.875165      1.764234
  S     -10.133868     -1.121904      2.267186
  C      -7.838894     -1.912562      1.061538
  C     -10.099264     -5.367588      2.576671
  C      -8.577538     -5.475549      2.498749
  C      -7.840801     -5.240634      3.829562
  C      -8.113161     -3.849096      4.391168
  N      -7.479051     -3.655398      5.679423
  C      -7.234721     -2.397021      6.212766
  C      -7.316967     -1.212684      5.451978
  C      -6.913801      0.001556      6.015554
  C      -6.437936      0.082109      7.321732
  C      -6.408426     -1.089525      8.099116
  S      -5.844124     -1.112588      9.778737
  C      -6.816888     -2.307624      7.555168
  C      -1.098169     -2.905398      6.422688
  C      -2.508747     -2.418106      6.087501
  C      -3.657414     -3.440827      6.093271
  C      -3.846650     -4.138299      7.452212
  N      -4.873541     -5.155913      7.343570
  C      -5.703263     -5.513200      8.386518
  C      -6.871694     -6.263191      8.114973
  C      -7.735017     -6.608376      9.149043
  C      -7.474923     -6.233196     10.469215
  C      -6.311245     -5.501925     10.745623
  S      -5.880142     -4.974115     12.377449
  C      -5.428826     -5.146559      9.715011
  H      -0.665109     -1.362342      0.199817
  H      -1.899014     -0.901528      1.393334
  H      -2.307515     -0.966036     -0.334414
  H      -1.521140     -3.377081      1.431730
  H      -1.876017     -3.480423     -0.298917
  H      -3.878995     -2.265010      1.642043
  H      -4.166440     -2.111577     -0.871293
  H      -4.342832     -3.860585     -0.926800
  H      -6.453772     -3.733258     -0.040668
  H      -4.762963     -0.490851      0.595800
  H      -5.865686      1.321073      1.838834
  H      -8.214182      1.108868      2.619934
  H     -10.290825      0.076228      2.874843
  H      -8.404243     -2.815184      0.818709
  H     -10.555461     -5.694893      1.631985
  H     -10.427935     -4.335947      2.761531
  H     -10.505178     -6.002300      3.379114
  H      -8.177226     -4.757946      1.765673
  H      -8.299859     -6.477289      2.135335
  H      -8.238173     -5.963912      4.570379
  H      -9.206996     -3.713548      4.449474
  H      -7.742106     -3.096176      3.682866
  H      -7.726246     -4.350283      6.386016
  H      -7.748747     -1.213608      4.448074
  H      -6.981260      0.910329      5.413752
  H      -6.122145      1.036368      7.744721
  H      -5.599550      0.215068      9.872435
  H      -6.795302     -3.210910      8.168403
  H      -0.696362     -3.585295      5.659814
  H      -1.056720     -3.421764      7.392013
  H      -0.414761     -2.047141      6.484491
  H      -2.795067     -1.630223      6.803836
  H      -2.510223     -1.939461      5.094966
  H      -4.578936     -2.867736      5.926169
  H      -2.901561     -4.572817      7.821019
  H      -4.139430     -3.354519      8.172978
  H      -5.297034     -5.218201      6.419928
  H      -7.079048     -6.576415      7.088642
  H      -8.635707     -7.183935      8.926422
  H      -8.162952     -6.510267     11.267809
  H      -6.952178     -5.514616     13.000508
  H      -4.530316     -4.576735      9.951650
  N      -5.407911     -2.747353      3.513908
  H      -5.689655     -1.762135      3.569227
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.731484295076
  N      -3.872690     -4.328312      1.739673
  C      -3.455466     -5.575141      1.089849
  C      -2.904794     -6.504178      2.155504
  N      -3.860995     -6.527729      3.286298
  C      -4.982478     -7.460571      3.039496
  C      -6.184141     -7.005343      3.837905
  N      -6.403374     -5.562122      3.658824
  Mo     -4.831770     -4.371797      3.455178
  N      -3.617071     -4.426125      4.996393
  C      -2.599996     -5.479904      5.086680
  C      -3.192326     -6.782478      4.585190
  H      -2.266331     -5.611996      6.125593
  H      -1.707309     -5.202218      4.499065
  H      -3.952718     -7.124365      5.299862
  H      -2.430913     -7.574533      4.484973
  H      -7.068223     -7.566327      3.494814
  H      -6.063083     -7.239802      4.912671
  H      -5.225809     -7.416900      1.968613
  H      -4.694898     -8.496784      3.286469
  H      -2.681107     -5.378878      0.334441
  H      -4.304595     -6.043511      0.560599
  H      -1.952342     -6.100904      2.524078
  H      -2.727466     -7.523158      1.772589
  C      -1.731053     -1.462020      0.436057
  C      -2.118775     -2.929761      0.613507
  C      -3.608447     -3.096278      0.971779
  C      -4.502811     -2.991670     -0.284837
  N      -5.917746     -2.881907     -0.014138
  C      -6.493409     -1.818407      0.647624
  C      -5.788534     -0.625513      0.921319
  C      -6.417990      0.408245      1.615113
  C      -7.736541      0.303242      2.055987
  C      -8.450772     -0.870522      1.762249
  S     -10.129927     -1.113523      2.268153
  C      -7.837635     -1.911752      1.063190
  C     -10.094007     -5.365026      2.563440
  C      -8.571538     -5.466776      2.490684
  C      -7.840583     -5.232184      3.824589
  C      -8.115261     -3.841070      4.385093
  N      -7.488014     -3.649478      5.676915
  C      -7.239062     -2.392776      6.211319
  C      -7.319304     -1.206899      5.452376
  C      -6.911361      0.004951      6.017008
  C      -6.433113      0.082591      7.322453
  C      -6.405356     -1.090150      8.098154
  S      -5.837846     -1.117160      9.776577
  C      -6.817960     -2.306347      7.553064
  C      -1.109532     -2.896092      6.416892
  C      -2.523835     -2.409471      6.097688
  C      -3.667262     -3.437837      6.098467
  C      -3.857786     -4.134316      7.456740
  N      -4.884001     -5.153955      7.346560
  C      -5.708006     -5.518731      8.393812
  C      -6.876836     -6.267666      8.124043
  C      -7.732079     -6.623450      9.161255
  C      -7.462558     -6.259164     10.482662
  C      -6.298503     -5.527982     10.757119
  S      -5.856872     -5.012892     12.390233
  C      -5.424321     -5.162282      9.722960
  H      -0.668524     -1.366334      0.174395
  H      -1.902341     -0.896793      1.364453
  H      -2.311583     -0.978197     -0.362730
  H      -1.517231     -3.371906      1.423336
  H      -1.877199     -3.490141     -0.305325
  H      -3.876060     -2.267142      1.636951
  H      -4.169985     -2.122823     -0.876160
  H      -4.347802     -3.872453     -0.924766
  H      -6.456294     -3.739914     -0.033357
  H      -4.760874     -0.496174      0.585026
  H      -5.859724      1.323616      1.820653
  H      -8.206352      1.118246      2.606729
  H     -10.287810      0.090844      2.863187
  H      -8.404870     -2.814269      0.824778
  H     -10.545827     -5.689878      1.615876
  H     -10.428579     -4.335970      2.752127
  H     -10.499262     -6.005332      3.361813
  H      -8.170771     -4.746650      1.760345
  H      -8.289466     -6.466635      2.125239
  H      -8.239986     -5.956166      4.563380
  H      -9.209228     -3.703443      4.436026
  H      -7.738447     -3.088454      3.679943
  H      -7.730783     -4.348364      6.380252
  H      -7.751737     -1.205684      4.449413
  H      -6.977074      0.914639      5.416337
  H      -6.113481      1.035463      7.745376
  H      -5.585833      0.209013      9.870380
  H      -6.796044     -3.210835      8.164489
  H      -0.711328     -3.564052      5.641627
  H      -1.059693     -3.425771      7.378670
  H      -0.428062     -2.036802      6.485580
  H      -2.809652     -1.632294      6.825868
  H      -2.533813     -1.918435      5.111278
  H      -4.590555     -2.868479      5.929117
  H      -2.914133     -4.568970      7.828898
  H      -4.151942     -3.349856      8.176225
  H      -5.315874     -5.208003      6.426019
  H      -7.092191     -6.571816      7.096570
  H      -8.633631     -7.198233      8.940279
  H      -8.144304     -6.543990     11.283964
  H      -6.925379     -5.557432     13.015843
  H      -4.525472     -4.591923      9.957681
  N      -5.402057     -2.740679      3.512449
  H      -5.681709     -1.754483      3.562146
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.731640250750
  N      -3.865735     -4.330867      1.740955
  C      -3.443802     -5.579300      1.097494
  C      -2.900572     -6.506287      2.168735
  N      -3.861775     -6.527506      3.294639
  C      -4.984592     -7.456630      3.042974
  C      -6.188191     -6.997930      3.836462
  N      -6.402973     -5.554738      3.655307
  Mo     -4.828071     -4.367466      3.455908
  N      -3.622296     -4.426286      5.001630
  C      -2.607438     -5.480755      5.099562
  C      -3.200912     -6.782753      4.597512
  H      -2.277339     -5.608668      6.139931
  H      -1.712385     -5.207163      4.513700
  H      -3.966576     -7.119888      5.308584
  H      -2.440952     -7.576797      4.502412
  H      -7.072520     -7.557502      3.491295
  H      -6.071426     -7.231312      4.912190
  H      -5.223107     -7.412467      1.971018
  H      -4.701628     -8.493910      3.291248
  H      -2.663379     -5.385553      0.347764
  H      -4.288675     -6.048533      0.562008
  H      -1.949960     -6.102659      2.541929
  H      -2.720505     -7.525808      1.788226
  C      -1.734955     -1.465284      0.409117
  C      -2.117715     -2.932668      0.603003
  C      -3.605708     -3.101094      0.967322
  C      -4.504037     -3.002546     -0.286847
  N      -5.919052     -2.886481     -0.014658
  C      -6.488742     -1.818580      0.647116
  C      -5.780456     -0.626058      0.911995
  C      -6.404134      0.411341      1.606339
  C      -7.720055      0.310254      2.055473
  C      -8.438241     -0.863132      1.769219
  S     -10.116355     -1.102494      2.282085
  C      -7.831000     -1.907727      1.070436
  C     -10.082078     -5.357937      2.519235
  C      -8.558138     -5.451165      2.462843
  C      -7.842664     -5.224933      3.806331
  C      -8.121252     -3.837130      4.371579
  N      -7.507924     -3.658529      5.672356
  C      -7.252379     -2.405794      6.213681
  C      -7.324340     -1.215152      5.461245
  C      -6.907032     -0.010024      6.032304
  C      -6.428723      0.057465      7.338134
  C      -6.410058     -1.119095      8.108225
  S      -5.843368     -1.158672      9.786469
  C      -6.830668     -2.329409      7.556106
  C      -1.133205     -2.875860      6.385196
  C      -2.557944     -2.395195      6.108597
  C      -3.687605     -3.438339      6.103569
  C      -3.873391     -4.132748      7.461810
  N      -4.889457     -5.163989      7.351772
  C      -5.707991     -5.521033      8.408345
  C      -6.883722     -6.262048      8.151306
  C      -7.727287     -6.616051      9.198963
  C      -7.438089     -6.255836     10.517470
  C      -6.267272     -5.530983     10.778897
  S      -5.803221     -5.019842     12.407052
  C      -5.404706     -5.167926      9.733956
  H      -0.671857     -1.369407      0.149719
  H      -1.910917     -0.889452      1.329965
  H      -2.313703     -0.993690     -0.398141
  H      -1.512167     -3.363805      1.415790
  H      -1.875754     -3.500910     -0.310749
  H      -3.873176     -2.271563      1.631716
  H      -4.170048     -2.137132     -0.882445
  H      -4.353395     -3.887173     -0.922246
  H      -6.458136     -3.744631     -0.022608
  H      -4.754155     -0.500339      0.571225
  H      -5.843515      1.326711      1.804981
  H      -8.185335      1.129335      2.603900
  H     -10.277329      0.111441      2.856691
  H      -8.402229     -2.808749      0.836724
  H     -10.521794     -5.672146      1.562544
  H     -10.426101     -4.334019      2.718566
  H     -10.491714     -6.011699      3.304331
  H      -8.151875     -4.723372      1.743204
  H      -8.268086     -6.446168      2.090068
  H      -8.248836     -5.953599      4.536300
  H      -9.215003     -3.693513      4.407637
  H      -7.730754     -3.082329      3.677278
  H      -7.759726     -4.362533      6.366010
  H      -7.755241     -1.206053      4.459045
  H      -6.965272      0.903107      5.436014
  H      -6.100969      1.005941      7.764043
  H      -5.576618      0.164177      9.884788
  H      -6.813433     -3.237680      8.161960
  H      -0.744721     -3.513401      5.579823
  H      -1.059305     -3.436885      7.327547
  H      -0.458388     -2.012651      6.468781
  H      -2.840432     -1.643146      6.864058
  H      -2.592933     -1.876865      5.136857
  H      -4.616737     -2.879525      5.932168
  H      -2.928576     -4.559971      7.839438
  H      -4.174870     -3.348104      8.178363
  H      -5.344865     -5.190276      6.441239
  H      -7.115244     -6.563071      7.126285
  H      -8.635001     -7.185067      8.988791
  H      -8.110967     -6.538169     11.327229
  H      -6.870790     -5.552699     13.044256
  H      -4.499998     -4.601487      9.957158
  N      -5.397618     -2.735534      3.508857
  H      -5.676140     -1.748487      3.546551
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.731689153778
  N      -3.863106     -4.331741      1.747038
  C      -3.437095     -5.582124      1.110295
  C      -2.900703     -6.506348      2.187329
  N      -3.866645     -6.524697      3.308724
  C      -4.990629     -7.450876      3.053352
  C      -6.196071     -6.988036      3.841649
  N      -6.407269     -5.545050      3.656376
  Mo     -4.828305     -4.361491      3.461209
  N      -3.629281     -4.422942      5.010733
  C      -2.617523     -5.478977      5.117332
  C      -3.212510     -6.780254      4.614971
  H      -2.292459     -5.603378      6.159569
  H      -1.718975     -5.210000      4.534807
  H      -3.982833     -7.112932      5.323018
  H      -2.454520     -7.576656      4.524348
  H      -7.080228     -7.547243      3.495185
  H      -6.083646     -7.218913      4.918532
  H      -5.224834     -7.407128      1.980429
  H      -4.711602     -8.488790      3.303647
  H      -2.650665     -5.391159      0.366172
  H      -4.277998     -6.052260      0.569266
  H      -1.951934     -6.101710      2.564325
  H      -2.717966     -7.526683      1.810065
  C      -1.735081     -1.469208      0.398099
  C      -2.115792     -2.935719      0.604981
  C      -3.603859     -3.104495      0.968578
  C      -4.500912     -3.011404     -0.286799
  N      -5.916873     -2.890937     -0.018838
  C      -6.484374     -1.819242      0.640060
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  C      -6.397044      0.414490      1.589993
  C      -7.712056      0.316085      2.042089
  C      -8.431737     -0.857756      1.760930
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  C     -10.077511     -5.351008      2.491997
  C      -8.552843     -5.438921      2.446645
  C      -7.848539     -5.214636      3.795955
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  N      -7.528863     -3.651365      5.665628
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  C      -6.904948     -0.007079      6.020497
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  C      -6.409579     -1.116489      8.096675
  S      -5.836251     -1.157335      9.772563
  C      -6.838173     -2.324997      7.546626
  C      -1.148978     -2.864547      6.363111
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  C      -3.702707     -3.432448      6.110228
  C      -3.889367     -4.124484      7.468204
  N      -4.911484     -5.150151      7.356887
  C      -5.712665     -5.524919      8.421629
  C      -6.890361     -6.264606      8.172440
  C      -7.714269     -6.638997      9.228630
  C      -7.402452     -6.300003     10.547702
  C      -6.230051     -5.574879     10.800903
  S      -5.739659     -5.088906     12.429154
  C      -5.387039     -5.191543      9.747236
  H      -0.670170     -1.374228      0.145852
  H      -1.919033     -0.883667      1.311160
  H      -2.307812     -1.008005     -0.419339
  H      -1.510644     -3.357640      1.422910
  H      -1.870307     -3.511224     -0.303177
  H      -3.872975     -2.273911      1.630804
  H      -4.164507     -2.148740     -0.884871
  H      -4.351190     -3.899064     -0.918083
  H      -6.454629     -3.750175     -0.014779
  H      -4.748698     -0.502940      0.557460
  H      -5.835529      1.330312      1.783947
  H      -8.175683      1.138156      2.587386
  H     -10.271407      0.121094      2.844559
  H      -8.399614     -2.805897      0.835043
  H     -10.509280     -5.659946      1.530054
  H     -10.427867     -4.330220      2.696437
  H     -10.489714     -6.012242      3.269542
  H      -8.142894     -4.707654      1.732670
  H      -8.257428     -6.431346      2.071050
  H      -8.259582     -5.943846      4.522381
  H      -9.222797     -3.676647      4.381084
  H      -7.726635     -3.073808      3.669570
  H      -7.787419     -4.356258      6.354382
  H      -7.761452     -1.200349      4.450044
  H      -6.958546      0.905520      5.422926
  H      -6.087667      1.006375      7.747417
  H      -5.558137      0.163420      9.866607
  H      -6.821893     -3.233563      8.152077
  H      -0.770567     -3.477969      5.534379
  H      -1.059577     -3.451292      7.288454
  H      -0.475615     -2.001602      6.460438
  H      -2.855185     -1.649208      6.894320
  H      -2.630799     -1.844923      5.158898
  H      -4.633887     -2.878153      5.935846
  H      -2.947478     -4.557567      7.846862
  H      -4.185280     -3.337704      8.184899
  H      -5.379926     -5.160735      6.452454
  H      -7.140588     -6.548721      7.146856
  H      -8.624048     -7.207091      9.025159
  H      -8.059769     -6.598011     11.364633
  H      -6.795990     -5.632999     13.075528
  H      -4.480713     -4.624436      9.963486
  N      -5.396168     -2.728555      3.508252
  H      -5.673560     -1.740878      3.533340
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.731704260217
  N      -3.866318     -4.331789      1.744649
  C      -3.437993     -5.581327      1.107910
  C      -2.900576     -6.504728      2.185182
  N      -3.866665     -6.524783      3.306372
  C      -4.989510     -7.452190      3.050218
  C      -6.195551     -6.991496      3.838837
  N      -6.408301     -5.548575      3.654718
  Mo     -4.830036     -4.363333      3.459542
  N      -3.629425     -4.423362      5.007893
  C      -2.617883     -5.479410      5.115893
  C      -3.212511     -6.780594      4.612614
  H      -2.294924     -5.604323      6.158714
  H      -1.718078     -5.210278      4.535444
  H      -3.983133     -7.112941      5.320536
  H      -2.454722     -7.577160      4.521881
  H      -7.078907     -7.551435      3.491575
  H      -6.083248     -7.223373      4.915477
  H      -5.223977     -7.407507      1.977385
  H      -4.709045     -8.489990      3.299315
  H      -2.650831     -5.388827      0.364881
  H      -4.277595     -6.052416      0.565755
  H      -1.952659     -6.098228      2.562331
  H      -2.715733     -7.524716      1.807997
  C      -1.735816     -1.468043      0.403791
  C      -2.117479     -2.934776      0.607210
  C      -3.606208     -3.103701      0.967780
  C      -4.501106     -3.009042     -0.288847
  N      -5.917395     -2.887140     -0.022915
  C      -6.482698     -1.816407      0.639903
  C      -5.771828     -0.624758      0.899946
  C      -6.391764      0.415375      1.594106
  C      -7.706262      0.317544      2.047837
  C      -8.427474     -0.854993      1.765444
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  C      -7.824116     -1.901915      1.066909
  C     -10.077774     -5.354434      2.486460
  C      -8.553057     -5.442918      2.444008
  C      -7.849704     -5.219126      3.794149
  C      -8.130308     -3.831225      4.357026
  N      -7.532839     -3.657267      5.666043
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  C      -6.420772      0.050004      7.327376
  C      -6.407814     -1.126006      8.098347
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  C      -3.704449     -3.432945      6.107590
  C      -3.891117     -4.124848      7.465823
  N      -4.912194     -5.151148      7.356419
  C      -5.713245     -5.521176      8.422408
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  C      -7.402144     -6.286954     10.552950
  C      -6.229681     -5.560720     10.802223
  S      -5.738456     -5.067236     12.427987
  C      -5.387277     -5.181972      9.746508
  H      -0.670355     -1.373073      0.153910
  H      -1.921463     -0.884066      1.317529
  H      -2.306725     -1.005178     -0.414013
  H      -1.513943     -3.358391      1.425461
  H      -1.870582     -3.508699     -0.301592
  H      -3.876379     -2.273644      1.630242
  H      -4.163212     -2.146549     -0.886295
  H      -4.351375     -3.896519     -0.920428
  H      -6.454334     -3.746935     -0.014706
  H      -4.745981     -0.501236      0.557125
  H      -5.828845      1.330172      1.788964
  H      -8.168323      1.138868      2.595613
  H     -10.265947      0.124588      2.850708
  H      -8.399083     -2.801108      0.835704
  H     -10.507567     -5.661345      1.522961
  H     -10.428001     -4.333871      2.692111
  H     -10.492229     -6.016922      3.261567
  H      -8.141707     -4.711281      1.731208
  H      -8.257524     -6.435287      2.068449
  H      -8.260724     -5.948848      4.520124
  H      -9.223242     -3.679189      4.377224
  H      -7.724525     -3.078961      3.668976
  H      -7.789878     -4.364624      6.352999
  H      -7.762202     -1.206158      4.452408
  H      -6.956416      0.898598      5.426287
  H      -6.083524      0.996647      7.749751
  H      -5.557407      0.152929      9.869421
  H      -6.823886     -3.242534      8.152801
  H      -0.772278     -3.474000      5.529680
  H      -1.061432     -3.452855      7.283993
  H      -0.478495     -2.000230      6.460203
  H      -2.858503     -1.650726      6.894380
  H      -2.634063     -1.842574      5.158490
  H      -4.636131     -2.879695      5.932343
  H      -2.948423     -4.556838      7.843954
  H      -4.187192     -3.338009      8.182486
  H      -5.383275     -5.159514      6.453431
  H      -7.141841     -6.551190      7.153108
  H      -8.624235     -7.200851      9.035203
  H      -8.058904     -6.581467     11.371565
  H      -6.794139     -5.608726     13.077609
  H      -4.480840     -4.614405      9.959817
  N      -5.400302     -2.731090      3.507013
  H      -5.679998     -1.743878      3.531774
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.731718536766
  N      -3.870512     -4.331769      1.744275
  C      -3.440645     -5.580762      1.107512
  C      -2.902651     -6.503502      2.185053
  N      -3.869107     -6.524591      3.305923
  C      -4.991429     -7.452640      3.048772
  C      -6.198095     -6.993196      3.837220
  N      -6.411391     -5.550127      3.654082
  Mo     -4.832332     -4.364910      3.459980
  N      -3.628904     -4.423933      5.006505
  C      -2.619040     -5.481329      5.116414
  C      -3.214872     -6.781611      4.611949
  H      -2.299337     -5.607843      6.160035
  H      -1.716990     -5.212963      4.539168
  H      -3.985889     -7.112964      5.319995
  H      -2.458383     -7.579315      4.520573
  H      -7.080761     -7.553305      3.488498
  H      -6.086930     -7.226121      4.913668
  H      -5.225889     -7.406899      1.975985
  H      -4.710076     -8.490412      3.296791
  H      -2.652555     -5.387225      0.365683
  H      -4.279284     -6.052243      0.564314
  H      -1.955498     -6.095359      2.562345
  H      -2.716151     -7.523327      1.808268
  C      -1.734824     -1.466943      0.415886
  C      -2.117988     -2.933872      0.614646
  C      -3.608023     -3.102836      0.969581
  C      -4.498488     -3.006146     -0.289872
  N      -5.915778     -2.883363     -0.029267
  C      -6.480706     -1.814320      0.637017
  C      -5.769890     -0.623311      0.899748
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  C      -7.822142     -1.900645      1.063576
  C     -10.081275     -5.357541      2.486449
  C      -8.556602     -5.445961      2.445017
  C      -7.852726     -5.220681      3.794887
  C      -8.132917     -3.831929      4.356164
  N      -7.537098     -3.655741      5.665966
  C      -7.269055     -2.404912      6.205169
  C      -7.335345     -1.215971      5.450107
  C      -6.906317     -0.012885      6.016592
  C      -6.423240      0.053610      7.320682
  C      -6.409946     -1.120999      8.093766
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  C      -1.148315     -2.867425      6.360695
  C      -2.577594     -2.384319      6.115608
  C      -3.702422     -3.432396      6.105511
  C      -3.890755     -4.124191      7.464004
  N      -4.913183     -5.148406      7.355091
  C      -5.711245     -5.520300      8.421538
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  C      -7.708109     -6.636234      9.238544
  C      -7.395211     -6.290227     10.555289
  C      -6.224559     -5.560360     10.802221
  S      -5.732048     -5.064860     12.427053
  C      -5.384927     -5.179369      9.745269
  H      -0.668449     -1.372094      0.169971
  H      -1.923386     -0.884853      1.330257
  H      -2.302654     -1.001858     -0.402842
  H      -1.517608     -3.359649      1.434092
  H      -1.868313     -3.505908     -0.294623
  H      -3.880003     -2.273192      1.631936
  H      -4.158276     -2.143595     -0.885813
  H      -4.347387     -3.893121     -0.921954
  H      -6.450400     -3.744641     -0.014782
  H      -4.744032     -0.498481      0.556973
  H      -5.826387      1.329393      1.793267
  H      -8.166250      1.136083      2.600301
  H     -10.262425      0.120181      2.856242
  H      -8.397475     -2.799244      0.830788
  H     -10.510062     -5.663241      1.522075
  H     -10.431350     -4.337140      2.693049
  H     -10.496930     -6.020935      3.259974
  H      -8.145226     -4.714533      1.731979
  H      -8.260819     -6.438615      2.070546
  H      -8.262953     -5.949712      4.522137
  H      -9.225595     -3.678188      4.375085
  H      -7.725147     -3.081488      3.667227
  H      -7.800025     -4.360211      6.354008
  H      -7.764576     -1.207824      4.447777
  H      -6.959550      0.899350      5.418542
  H      -6.085341      1.001083      7.740931
  H      -5.559599      0.161503      9.862259
  H      -6.827572     -3.237366      8.152221
  H      -0.768870     -3.477335      5.529765
  H      -1.061164     -3.458271      7.283758
  H      -0.474518     -2.005392      6.462994
  H      -2.854351     -1.651512      6.891827
  H      -2.627756     -1.844711      5.156284
  H      -4.633203     -2.877908      5.929036
  H      -2.948046     -4.557476      7.840725
  H      -4.184534     -3.337035      8.181378
  H      -5.386737     -5.151446      6.453482
  H      -7.138576     -6.556017      7.155287
  H      -8.616389     -7.208409      9.039761
  H      -8.049596     -6.586630     11.375052
  H      -6.784027     -5.610789     13.078960
  H      -4.480215     -4.609175      9.957214
  N      -5.402731     -2.732675      3.507527
  H      -5.682191     -1.745509      3.530533
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.731726310320
  N      -3.872156     -4.330645      1.743864
  C      -3.440935     -5.579533      1.107780
  C      -2.901752     -6.500880      2.185948
  N      -3.868150     -6.522398      3.306937
  C      -4.989856     -7.451385      3.050099
  C      -6.196401     -6.992606      3.838940
  N      -6.410836     -5.549659      3.655515
  Mo     -4.831721     -4.364073      3.460608
  N      -3.626061     -4.421417      5.005753
  C      -2.617384     -5.479673      5.117374
  C      -3.213693     -6.779606      4.612811
  H      -2.299830     -5.606660      6.161619
  H      -1.713899     -5.212107      4.542017
  H      -3.984682     -7.110409      5.321189
  H      -2.457784     -7.577816      4.521111
  H      -7.078636     -7.553521      3.490429
  H      -6.085029     -7.225245      4.915355
  H      -5.224846     -7.405851      1.977429
  H      -4.707428     -8.488842      3.298084
  H      -2.652708     -5.385486      0.366195
  H      -4.278975     -6.052080      0.564640
  H      -1.955232     -6.090905      2.562847
  H      -2.713818     -7.520769      1.810089
  C      -1.736608     -1.465345      0.416626
  C      -2.119317     -2.932342      0.615729
  C      -3.609698     -3.101842      0.968990
  C      -4.498646     -3.005973     -0.291448
  N      -5.916508     -2.884442     -0.033180
  C      -6.482135     -1.816171      0.634063
  C      -5.772573     -0.624425      0.896504
  C      -6.393215      0.413447      1.593311
  C      -7.707375      0.313095      2.047663
  C      -8.427671     -0.859226      1.762231
  S     -10.103302     -1.100786      2.282481
  C      -7.823222     -1.904017      1.061146
  C     -10.083507     -5.360648      2.497025
  C      -8.558989     -5.447967      2.451647
  C      -7.851803     -5.220808      3.799461
  C      -8.130217     -3.831097      4.358810
  N      -7.534228     -3.654094      5.668447
  C      -7.265113     -2.402680      6.205526
  C      -7.329969     -1.215304      5.447961
  C      -6.901337     -0.011168      6.012709
  C      -6.420054      0.057570      7.317424
  C      -6.407808     -1.115599      8.092605
  S      -5.831548     -1.151990      9.767638
  C      -6.838853     -2.325019      7.546425
  C      -1.143420     -2.873921      6.366055
  C      -2.570580     -2.385691      6.118163
  C      -3.699051     -3.429623      6.104835
  C      -3.893292     -4.121908      7.462358
  N      -4.920094     -5.141482      7.350054
  C      -5.716859     -5.517577      8.416068
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  C      -7.714018     -6.635190      9.230356
  C      -7.399112     -6.296105     10.548398
  C      -6.227443     -5.568466     10.797128
  S      -5.732015     -5.081439     12.423696
  C      -5.388923     -5.182996      9.740958
  H      -0.670010     -1.370215      0.171830
  H      -1.926417     -0.882789      1.330452
  H      -2.303742     -1.000893     -0.402963
  H      -1.519764     -3.357474      1.436102
  H      -1.868392     -3.504702     -0.293015
  H      -3.882613     -2.271973      1.630737
  H      -4.158779     -2.143112     -0.887037
  H      -4.345949     -3.892705     -0.923593
  H      -6.448250     -3.747515     -0.012609
  H      -4.746903     -0.498222      0.553382
  H      -5.830522      1.328006      1.790365
  H      -8.169963      1.131822      2.598964
  H     -10.264027      0.113126      2.857198
  H      -8.397847     -2.803102      0.828475
  H     -10.514355     -5.666008      1.533446
  H     -10.433673     -4.340588      2.705180
  H     -10.496938     -6.024928      3.271028
  H      -8.150125     -4.716697      1.737010
  H      -8.263389     -6.440704      2.077353
  H      -8.260003     -5.948810      4.528948
  H      -9.222576     -3.675194      4.377564
  H      -7.721037     -3.082347      3.668698
  H      -7.801640     -4.356132      6.357132
  H      -7.757141     -1.209339      4.444428
  H      -6.953856      0.900044      5.413055
  H      -6.082576      1.005842      7.736369
  H      -5.559415      0.170226      9.859663
  H      -6.826290     -3.231781      8.154604
  H      -0.763588     -3.482504      5.534347
  H      -1.060470     -3.467674      7.287672
  H      -0.467246     -2.014250      6.472679
  H      -2.846548     -1.652519      6.894312
  H      -2.616563     -1.845234      5.159114
  H      -4.627528     -2.871962      5.926154
  H      -2.952924     -4.559536      7.839753
  H      -4.184502     -3.334254      8.180279
  H      -5.396060     -5.136811      6.449495
  H      -7.147023     -6.545637      7.146858
  H      -8.623158     -7.205434      9.029897
  H      -8.052548     -6.595987     11.367611
  H      -6.784072     -5.628667     13.074371
  H      -4.483666     -4.614371      9.954608
  N      -5.402828     -2.731959      3.507434
  H      -5.681918     -1.744549      3.528124
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.731737394637
  N      -3.873324     -4.330782      1.743171
  C      -3.441382     -5.580417      1.108956
  C      -2.902368     -6.499955      2.188769
  N      -3.869559     -6.520294      3.309168
  C      -4.991217     -7.449427      3.052346
  C      -6.197761     -6.989650      3.840361
  N      -6.411792     -5.546696      3.655639
  Mo     -4.831541     -4.362272      3.460529
  N      -3.624916     -4.418073      5.005065
  C      -2.618582     -5.478044      5.119780
  C      -3.216233     -6.777416      4.615657
  H      -2.303820     -5.604922      6.164892
  H      -1.713156     -5.212659      4.546473
  H      -3.987971     -7.106516      5.324002
  H      -2.461444     -7.576787      4.524703
  H      -7.079894     -7.550700      3.491722
  H      -6.087224     -7.221353      4.916984
  H      -5.225768     -7.404878      1.979557
  H      -4.708822     -8.486588      3.301497
  H      -2.652684     -5.387218      0.367661
  H      -4.279006     -6.053872      0.565982
  H      -1.956481     -6.088569      2.565755
  H      -2.713523     -7.520345      1.814770
  C      -1.735097     -1.467678      0.414803
  C      -2.118409     -2.934254      0.616037
  C      -3.609407     -3.102873      0.967419
  C      -4.496187     -3.007722     -0.294418
  N      -5.914890     -2.886179     -0.039766
  C      -6.480240     -1.817939      0.628506
  C      -5.771148     -0.625769      0.889816
  C      -6.391782      0.412084      1.586734
  C      -7.705493      0.311070      2.042252
  C      -8.425533     -0.861668      1.757572
  S     -10.100746     -1.103650      2.278924
  C      -7.820928     -1.906323      1.056430
  C     -10.086712     -5.361524      2.504218
  C      -8.562233     -5.446144      2.455492
  C      -7.852442     -5.217721      3.801733
  C      -8.129115     -3.827343      4.359916
  N      -7.531968     -3.650277      5.669266
  C      -7.264778     -2.397884      6.205599
  C      -7.328240     -1.211413      5.446594
  C      -6.903074     -0.006201      6.011718
  C      -6.426362      0.064370      7.318074
  C      -6.414636     -1.108182      8.094063
  S      -5.842993     -1.142589      9.770767
  C      -6.842523     -2.318618      7.547604
  C      -1.141351     -2.876990      6.369358
  C      -2.567229     -2.385037      6.120786
  C      -3.698245     -3.425820      6.103979
  C      -3.898126     -4.118160      7.460706
  N      -4.927101     -5.135602      7.345002
  C      -5.719018     -5.517892      8.412920
  C      -6.897268     -6.259113      8.169036
  C      -7.711739     -6.641872      9.229417
  C      -7.390673     -6.311416     10.548191
  C      -6.218469     -5.584298     10.795818
  S      -5.715221     -5.107661     12.423158
  C      -5.385514     -5.191081      9.738098
  H      -0.668132     -1.373317      0.171340
  H      -1.925980     -0.883344      1.327265
  H      -2.300837     -1.004469     -0.406459
  H      -1.520267     -3.358109      1.438083
  H      -1.866297     -3.508227     -0.291364
  H      -3.882705     -2.272303      1.628140
  H      -4.155794     -2.144709     -0.889331
  H      -4.342165     -3.894323     -0.926520
  H      -6.443177     -3.751318     -0.009432
  H      -4.745633     -0.499186      0.546234
  H      -5.829318      1.326974      1.783038
  H      -8.168161      1.129757      2.593573
  H     -10.262221      0.111430      2.850922
  H      -8.395395     -2.805525      0.823789
  H     -10.518816     -5.664377      1.540400
  H     -10.438286     -4.342802      2.716450
  H     -10.497576     -6.029162      3.276704
  H      -8.156265     -4.714310      1.739756
  H      -8.265821     -6.438483      2.080782
  H      -8.259173     -5.944863      4.532909
  H      -9.221175     -3.669647      4.379124
  H      -7.719150     -3.079783      3.669013
  H      -7.807358     -4.348425      6.358844
  H      -7.751477     -1.207314      4.441276
  H      -6.955227      0.904512      5.411276
  H      -6.091878      1.013576      7.737442
  H      -5.574844      0.180377      9.863320
  H      -6.830820     -3.224729      8.156807
  H      -0.761366     -3.482685      5.535653
  H      -1.060647     -3.474662      7.288701
  H      -0.463753     -2.018994      6.480560
  H      -2.842339     -1.652617      6.897945
  H      -2.610518     -1.842650      5.162689
  H      -4.624610     -2.865426      5.922810
  H      -2.959957     -4.558675      7.839892
  H      -4.188254     -3.329787      8.178414
  H      -5.411362     -5.117377      6.448778
  H      -7.154402     -6.538708      7.144043
  H      -8.621412     -7.211442      9.029453
  H      -8.039735     -6.617329     11.368614
  H      -6.765083     -5.657554     13.075105
  H      -4.480361     -4.622142      9.951191
  N      -5.401829     -2.729629      3.504753
  H      -5.678560     -1.741484      3.519993
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.731752980021
  N      -3.875026     -4.330995      1.740488
  C      -3.442362     -5.582232      1.109639
  C      -2.903514     -6.498583      2.192261
  N      -3.871875     -6.516194      3.311848
  C      -4.993587     -7.445589      3.055723
  C      -6.199679     -6.983755      3.842822
  N      -6.412781     -5.540766      3.655687
  Mo     -4.830785     -4.358422      3.459061
  N      -3.622433     -4.410805      5.002355
  C      -2.620341     -5.473943      5.122183
  C      -3.220431     -6.772512      4.619538
  H      -2.309709     -5.600103      6.168621
  H      -1.712047     -5.212609      4.551538
  H      -3.993377     -7.098304      5.328027
  H      -2.467461     -7.573823      4.530254
  H      -7.082090     -7.544804      3.494736
  H      -6.089812     -7.213464      4.919836
  H      -5.227689     -7.403181      1.982788
  H      -4.711243     -8.482169      3.307243
  H      -2.653529     -5.390940      0.368068
  H      -4.279746     -6.057366      0.567763
  H      -1.958451     -6.085177      2.569139
  H      -2.713774     -7.520023      1.821667
  C      -1.730333     -1.472112      0.411796
  C      -2.115061     -2.937891      0.616288
  C      -3.607446     -3.104726      0.963422
  C      -4.489790     -3.010436     -0.301301
  N      -5.910302     -2.889603     -0.053639
  C      -6.475658     -1.821521      0.616626
  C      -5.768381     -0.627914      0.875574
  C      -6.389658      0.409263      1.573123
  C      -7.702132      0.305640      2.031578
  C      -8.420799     -0.868457      1.748507
  S     -10.094566     -1.112956      2.273296
  C      -7.815352     -1.912072      1.046619
  C     -10.093835     -5.368026      2.523554
  C      -8.569330     -5.443604      2.464753
  C      -7.852818     -5.211728      3.806775
  C      -8.126514     -3.820098      4.362689
  N      -7.526203     -3.642618      5.671152
  C      -7.265074     -2.387705      6.206749
  C      -7.327062     -1.202616      5.445669
  C      -6.910422      0.004859      6.012161
  C      -6.443073      0.079028      7.321774
  C      -6.431310     -1.092655      8.098847
  S      -5.869502     -1.123537      9.778982
  C      -6.851152     -2.305347      7.551038
  C      -1.135681     -2.887040      6.380944
  C      -2.557343     -2.385826      6.125950
  C      -3.695579     -3.418098      6.101155
  C      -3.909038     -4.110179      7.455896
  N      -4.943809     -5.121637      7.331995
  C      -5.725788     -5.515658      8.404549
  C      -6.908338     -6.250498      8.162744
  C      -7.712125     -6.647241      9.225981
  C      -7.375351     -6.337604     10.546029
  C      -6.199183     -5.616162     10.791239
  S      -5.676332     -5.165238     12.419872
  C      -5.377636     -5.208208      9.730033
  H      -0.662581     -1.379079      0.171293
  H      -1.923545     -0.884852      1.321882
  H      -2.293121     -1.010835     -0.412568
  H      -1.520035     -3.359703      1.441628
  H      -1.860361     -3.514681     -0.288581
  H      -3.881541     -2.272964      1.622264
  H      -4.148680     -2.146519     -0.894188
  H      -4.332582     -3.896217     -0.933874
  H      -6.431404     -3.758632     -0.004508
  H      -4.743514     -0.499884      0.530651
  H      -5.828532      1.325296      1.767930
  H      -8.165322      1.123751      2.583339
  H     -10.257005      0.102767      2.843614
  H      -8.388453     -2.812169      0.814127
  H     -10.530010     -5.667164      1.560410
  H     -10.450260     -4.352838      2.744421
  H     -10.495930     -6.043128      3.294233
  H      -8.172331     -4.709637      1.746173
  H      -8.269774     -6.434350      2.088271
  H      -8.255976     -5.937036      4.541719
  H      -9.218154     -3.660142      4.383889
  H      -7.716617     -3.074353      3.669970
  H      -7.814121     -4.334131      6.362519
  H      -7.742572     -1.202013      4.437291
  H      -6.962216      0.914708      5.410366
  H      -6.115604      1.030079      7.742602
  H      -5.605545      0.200197      9.871753
  H      -6.839559     -3.210507      8.161737
  H      -0.754049     -3.490401      5.546354
  H      -1.062857     -3.489524      7.297882
  H      -0.454300     -2.033114      6.500280
  H      -2.831164     -1.652583      6.902776
  H      -2.591561     -1.841455      5.168572
  H      -4.616258     -2.850113      5.914395
  H      -2.976852     -4.558641      7.839950
  H      -4.196775     -3.319934      8.172873
  H      -5.447053     -5.072873      6.446856
  H      -7.176630     -6.514826      7.136618
  H      -8.625132     -7.211938      9.027419
  H      -8.015571     -6.654955     11.369037
  H      -6.722827     -5.717976     13.074798
  H      -4.470406     -4.641812      9.941610
  N      -5.399532     -2.724695      3.497885
  H      -5.671462     -1.735200      3.501866
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.731761914461
  N      -3.875615     -4.331953      1.738513
  C      -3.443790     -5.583887      1.108437
  C      -2.905514     -6.499879      2.191626
  N      -3.874074     -6.515962      3.311092
  C      -4.996130     -7.445119      3.055517
  C      -6.202214     -6.982144      3.841980
  N      -6.414413     -5.539118      3.654019
  Mo     -4.832239     -4.357469      3.456725
  N      -3.624691     -4.408630      5.000486
  C      -2.622820     -5.472009      5.120831
  C      -3.222916     -6.771050      4.619236
  H      -2.311689     -5.597241      6.167209
  H      -1.714844     -5.211231      4.549378
  H      -3.995910     -7.096517      5.327806
  H      -2.469702     -7.572238      4.530831
  H      -7.085036     -7.542765      3.494238
  H      -6.092477     -7.211126      4.919176
  H      -5.229786     -7.403716      1.982453
  H      -4.714332     -8.481580      3.308184
  H      -2.655343     -5.393660      0.366231
  H      -4.281670     -6.059035      0.567303
  H      -1.960166     -6.087063      2.568432
  H      -2.716643     -7.521738      1.821735
  C      -1.725811     -1.475858      0.411718
  C      -2.112487     -2.941146      0.616000
  C      -3.605489     -3.106135      0.961632
  C      -4.486582     -3.010743     -0.303847
  N      -5.907366     -2.889309     -0.057195
  C      -6.472124     -1.821148      0.613886
  C      -5.764231     -0.628121      0.873821
  C      -6.385209      0.408948      1.571863
  C      -7.697911      0.305717      2.029708
  C      -8.416983     -0.868037      1.746196
  S     -10.091516     -1.111341      2.269177
  C      -7.811867     -1.911422      1.043738
  C     -10.097169     -5.370736      2.526620
  C      -8.572475     -5.441678      2.464811
  C      -7.854266     -5.209406      3.805902
  C      -8.127346     -3.817690      4.361887
  N      -7.526544     -3.640739      5.670368
  C      -7.267513     -2.385705      6.207511
  C      -7.328782     -1.199932      5.447488
  C      -6.914266      0.007239      6.015934
  C      -6.449472      0.080605      7.326479
  C      -6.437971     -1.091892      8.102348
  S      -5.879784     -1.124242      9.783616
  C      -6.855797     -2.304371      7.552498
  C      -1.137096     -2.886833      6.387321
  C      -2.556774     -2.384814      6.123117
  C      -3.697122     -3.414899      6.098245
  C      -3.913592     -4.104421      7.453743
  N      -4.948730     -5.115432      7.330152
  C      -5.726035     -5.514355      8.404714
  C      -6.906284     -6.253665      8.165436
  C      -7.704991     -6.655393      9.230697
  C      -7.365006     -6.346320     10.550107
  C      -6.191061     -5.620496     10.792733
  S      -5.664894     -5.169908     12.420379
  C      -5.374733     -5.207485      9.729361
  H      -0.657765     -1.384015      0.172033
  H      -1.919029     -0.888343      1.321634
  H      -2.287390     -1.013906     -0.413079
  H      -1.518856     -3.363550      1.442054
  H      -1.857514     -3.518443     -0.288442
  H      -3.879198     -2.274039      1.620179
  H      -4.144707     -2.146403     -0.895621
  H      -4.329119     -3.896025     -0.937020
  H      -6.428232     -3.758443     -0.006548
  H      -4.739212     -0.500723      0.529303
  H      -5.823928      1.324738      1.767224
  H      -8.160992      1.124075      2.581190
  H     -10.254189      0.105111      2.837895
  H      -8.385003     -2.811208      0.810228
  H     -10.534328     -5.669507      1.563821
  H     -10.456371     -4.357055      2.749862
  H     -10.495620     -6.048341      3.296967
  H      -8.179063     -4.706037      1.745963
  H      -8.270900     -6.431255      2.086817
  H      -8.257147     -5.934318      4.541371
  H      -9.218985     -3.657814      4.383618
  H      -7.717821     -3.071733      3.669325
  H      -7.813777     -4.332534      6.361812
  H      -7.742532     -1.198639      4.438577
  H      -6.965276      0.917583      5.414807
  H      -6.123698      1.031382      7.749079
  H      -5.617591      0.199655      9.878798
  H      -6.844153     -3.210139      8.162335
  H      -0.752812     -3.496840      5.558800
  H      -1.068971     -3.482708      7.308909
  H      -0.454961     -2.033070      6.503391
  H      -2.832352     -1.647020      6.894989
  H      -2.585611     -1.845057      5.162927
  H      -4.616242     -2.845029      5.909503
  H      -2.982853     -4.553613      7.840393
  H      -4.201932     -3.312492      8.168741
  H      -5.453807     -5.068619      6.445883
  H      -7.176418     -6.517971      7.139771
  H      -8.616276     -7.223583      9.034288
  H      -8.001306     -6.667581     11.374668
  H      -6.707974     -5.726372     13.077612
  H      -4.469402     -4.637159      9.938659
  N      -5.400148     -2.723314      3.493532
  H      -5.670742     -1.733411      3.495389
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.731437209146
  N      -3.882220     -4.334184      1.735009
  C      -3.453933     -5.584952      1.100079
  C      -2.913068     -6.504298      2.179405
  N      -3.878303     -6.522122      3.301964
  C      -5.000084     -7.452367      3.048881
  C      -6.205473     -6.991039      3.837554
  N      -6.418100     -5.548143      3.650194
  Mo     -4.837897     -4.364313      3.453762
  N      -3.628001     -4.415571      4.995324
  C      -2.624295     -5.478088      5.110239
  C      -3.223282     -6.777509      4.608273
  H      -2.308910     -5.604365      6.155220
  H      -1.719187     -5.214610      4.535387
  H      -3.993818     -7.105697      5.318299
  H      -2.468459     -7.576834      4.517015
  H      -7.088683     -7.551307      3.490382
  H      -6.094227     -7.220459      4.914579
  H      -5.235560     -7.410929      1.976224
  H      -4.716834     -8.488663      3.300658
  H      -2.668439     -5.393522      0.355113
  H      -4.294266     -6.058078      0.560970
  H      -1.966079     -6.093669      2.554377
  H      -2.726616     -7.525514      1.806507
  C      -1.714706     -1.485469      0.422009
  C      -2.112129     -2.949166      0.615736
  C      -3.605098     -3.105134      0.965719
  C      -4.492030     -2.992734     -0.294108
  N      -5.910492     -2.864365     -0.035941
  C      -6.460621     -1.800552      0.654796
  C      -5.741683     -0.616150      0.923788
  C      -6.347558      0.414492      1.644281
  C      -7.655363      0.312967      2.116247
  C      -8.385565     -0.851714      1.824474
  S     -10.055032     -1.091711      2.364622
  C      -7.795793     -1.888234      1.099000
  C     -10.097416     -5.419844      2.510022
  C      -8.571720     -5.473217      2.450782
  C      -7.859186     -5.219560      3.791018
  C      -8.137660     -3.819967      4.323793
  N      -7.554932     -3.624340      5.638073
  C      -7.303830     -2.360293      6.159776
  C      -7.339352     -1.188342      5.377350
  C      -6.935559      0.027276      5.935002
  C      -6.506478      0.122577      7.256274
  C      -6.519249     -1.036093      8.052700
  S      -6.005654     -1.041058      9.748236
  C      -6.926314     -2.256883      7.513141
  C      -1.127640     -2.913500      6.400436
  C      -2.539493     -2.401902      6.113951
  C      -3.691247     -3.420127      6.091555
  C      -3.913889     -4.103875      7.448807
  N      -4.961024     -5.101933      7.330204
  C      -5.721185     -5.510131      8.414124
  C      -6.906379     -6.245615      8.187718
  C      -7.687856     -6.655350      9.262883
  C      -7.324866     -6.358433     10.579032
  C      -6.145895     -5.636810     10.808829
  S      -5.592057     -5.201643     12.431399
  C      -5.347043     -5.215271      9.735339
  H      -0.646981     -1.399724      0.178536
  H      -1.899618     -0.904160      1.337646
  H      -2.276254     -1.012250     -0.396365
  H      -1.518796     -3.382858      1.436177
  H      -1.865107     -3.521369     -0.294098
  H      -3.869589     -2.275586      1.631167
  H      -4.148770     -2.124760     -0.879609
  H      -4.343722     -3.872709     -0.936739
  H      -6.435178     -3.731181      0.014714
  H      -4.719938     -0.490962      0.569246
  H      -5.778143      1.323591      1.846723
  H      -8.106185      1.125988      2.685460
  H     -10.198859      0.112999      2.962699
  H      -8.376566     -2.781415      0.859452
  H     -10.529730     -5.733379      1.549760
  H     -10.469180     -4.408359      2.722562
  H     -10.488496     -6.094509      3.286732
  H      -8.186193     -4.740564      1.724771
  H      -8.258279     -6.463092      2.083439
  H      -8.264904     -5.934279      4.534923
  H      -9.229350     -3.659002      4.329338
  H      -7.718622     -3.084159      3.626104
  H      -7.852672     -4.304288      6.336839
  H      -7.718097     -1.205187      4.356625
  H      -6.963720      0.926441      5.315787
  H      -6.187857      1.079143      7.670845
  H      -5.734684      0.282250      9.825796
  H      -6.932563     -3.152170      8.138528
  H      -0.740813     -3.542891      5.587761
  H      -1.074187     -3.492121      7.333762
  H      -0.438775     -2.063994      6.507236
  H      -2.814176     -1.650374      6.872756
  H      -2.552828     -1.874786      5.146414
  H      -4.604079     -2.840693      5.901086
  H      -2.988659     -4.565067      7.834747
  H      -4.191567     -3.306858      8.162740
  H      -5.477808     -5.050302      6.452949
  H      -7.193416     -6.501357      7.164408
  H      -8.603326     -7.220334      9.077060
  H      -7.947994     -6.686242     11.411159
  H      -6.624626     -5.762953     13.101059
  H      -4.437898     -4.647076      9.933946
  N      -5.407855     -2.730668      3.494437
  H      -5.677711     -1.740452      3.496176
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.731631229615
  N      -3.884835     -4.336009      1.734526
  C      -3.451073     -5.585590      1.100894
  C      -2.908388     -6.502734      2.181108
  N      -3.875629     -6.524075      3.301623
  C      -4.993740     -7.457581      3.045265
  C      -6.201619     -7.000981      3.832482
  N      -6.418329     -5.558478      3.647201
  Mo     -4.842624     -4.368741      3.452386
  N      -3.634684     -4.416088      4.995112
  C      -2.628523     -5.476038      5.111904
  C      -3.223070     -6.777400      4.609562
  H      -2.313209     -5.600336      6.157142
  H      -1.723894     -5.210796      4.537126
  H      -3.994189     -7.107698      5.317915
  H      -2.465526     -7.574370      4.520143
  H      -7.082838     -7.563392      3.483612
  H      -6.090805     -7.231419      4.909360
  H      -5.227272     -7.415927      1.972185
  H      -4.707784     -8.493217      3.296745
  H      -2.665480     -5.391845      0.356670
  H      -4.288978     -6.062042      0.560877
  H      -1.963561     -6.088737      2.557869
  H      -2.717539     -7.523239      1.808445
  C      -1.718452     -1.485216      0.423950
  C      -2.114059     -2.949057      0.620425
  C      -3.608067     -3.106798      0.965080
  C      -4.488682     -2.998956     -0.299757
  N      -5.908086     -2.857856     -0.052387
  C      -6.456978     -1.777961      0.614239
  C      -5.733008     -0.592728      0.865370
  C      -6.340196      0.457894      1.555351
  C      -7.654608      0.376312      2.012584
  C      -8.389353     -0.789898      1.738655
  S     -10.068407     -1.004433      2.259617
  C      -7.797706     -1.847008      1.045033
  C     -10.100760     -5.428987      2.515723
  C      -8.574907     -5.473641      2.452461
  C      -7.860237     -5.235483      3.794496
  C      -8.140839     -3.844499      4.347859
  N      -7.552103     -3.667016      5.662272
  C      -7.300748     -2.409908      6.200925
  C      -7.334681     -1.227632      5.434399
  C      -6.929352     -0.020276      6.008170
  C      -6.499984      0.056931      7.330481
  C      -6.512489     -1.112618      8.110939
  S      -5.997182     -1.141599      9.805640
  C      -6.921973     -2.325393      7.555271
  C      -1.135847     -2.902021      6.389164
  C      -2.549778     -2.394937      6.104844
  C      -3.698968     -3.416121      6.087180
  C      -3.920051     -4.092924      7.448033
  N      -4.967488     -5.091318      7.336346
  C      -5.723614     -5.491971      8.425663
  C      -6.911658     -6.225358      8.208408
  C      -7.687896     -6.629775      9.289302
  C      -7.316721     -6.329291     10.602380
  C      -6.135064     -5.609348     10.823153
  S      -5.571081     -5.170251     12.441197
  C      -5.341505     -5.193026      9.743727
  H      -0.649887     -1.398387      0.184558
  H      -1.908009     -0.901529      1.337096
  H      -2.277294     -1.015378     -0.398204
  H      -1.523114     -3.379253      1.444419
  H      -1.862360     -3.523357     -0.286780
  H      -3.876652     -2.276606      1.628023
  H      -4.136392     -2.138209     -0.890494
  H      -4.342558     -3.885215     -0.934155
  H      -6.438957     -3.720346      0.008050
  H      -4.706777     -0.482038      0.519315
  H      -5.767266      1.367817      1.743575
  H      -8.106920      1.205892      2.556111
  H     -10.213331      0.217438      2.821548
  H      -8.381978     -2.741021      0.817643
  H     -10.533701     -5.729188      1.551494
  H     -10.477482     -4.423146      2.745400
  H     -10.486485     -6.118040      3.282306
  H      -8.194620     -4.729253      1.735537
  H      -8.257654     -6.456821      2.070573
  H      -8.262033     -5.960963      4.529993
  H      -9.232859     -3.686554      4.360131
  H      -7.726153     -3.097944      3.659500
  H      -7.853339     -4.352885      6.354104
  H      -7.708078     -1.231511      4.413205
  H      -6.955686      0.886966      5.400739
  H      -6.179680      1.007368      7.757433
  H      -5.729777      0.181097      9.902926
  H      -6.927272     -3.229368      8.168141
  H      -0.749788     -3.533226      5.577651
  H      -1.078287     -3.477211      7.324364
  H      -0.448729     -2.050500      6.490969
  H      -2.824787     -1.642449      6.862601
  H      -2.566733     -1.869898      5.136245
  H      -4.612706     -2.838849      5.894591
  H      -2.995176     -4.553115      7.835885
  H      -4.196070     -3.291566      8.157905
  H      -5.491328     -5.035616      6.463904
  H      -7.204909     -6.484206      7.187710
  H      -8.605598     -7.193385      9.110564
  H      -7.935833     -6.652990     11.439128
  H      -6.600925     -5.727414     13.118452
  H      -4.430449     -4.625687      9.935328
  N      -5.418117     -2.737060      3.493699
  H      -5.689626     -1.747551      3.493714
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.730545903599
  N      -3.845648     -4.323257      1.745020
  C      -3.409586     -5.578402      1.124492
  C      -2.888973     -6.493261      2.217104
  N      -3.874814     -6.504448      3.321451
  C      -4.997391     -7.428285      3.048622
  C      -6.214043     -6.959054      3.815318
  N      -6.416581     -5.515039      3.624031
  Mo     -4.826325     -4.341444      3.449659
  N      -3.643071     -4.395654      5.011511
  C      -2.647584     -5.462739      5.149033
  C      -3.245766     -6.760047      4.640233
  H      -2.352512     -5.587108      6.200265
  H      -1.730163     -5.206978      4.590587
  H      -4.031708     -7.080836      5.336686
  H      -2.494790     -7.564671      4.565437
  H      -7.094034     -7.515855      3.454757
  H      -6.121667     -7.187783      4.894207
  H      -5.213684     -7.386354      1.971913
  H      -4.724880     -8.466024      3.306216
  H      -2.611786     -5.393258      0.391046
  H      -4.242400     -6.052826      0.575055
  H      -1.947832     -6.082725      2.606750
  H      -2.697887     -7.516313      1.851636
  C      -1.734712     -1.454946      0.377184
  C      -2.102019     -2.922589      0.599399
  C      -3.590672     -3.102842      0.955309
  C      -4.483202     -3.035893     -0.303625
  N      -5.903315     -2.945514     -0.041415
  C      -6.488234     -1.883013      0.620236
  C      -5.815187     -0.662344      0.841107
  C      -6.458584      0.370542      1.524926
  C      -7.759694      0.236183      2.007472
  C      -8.443034     -0.968188      1.767605
  S     -10.097225     -1.256823      2.330391
  C      -7.814886     -2.008563      1.081190
  C     -10.092067     -5.288672      2.475841
  C      -8.567685     -5.370241      2.420651
  C      -7.854800     -5.174927      3.770783
  C      -8.115043     -3.792846      4.354879
  N      -7.498554     -3.647633      5.659512
  C      -7.214930     -2.407167      6.216719
  C      -7.288129     -1.205817      5.483415
  C      -6.846058     -0.014368      6.063296
  C      -6.340969      0.027478      7.360279
  C      -6.313900     -1.161479      8.110654
  S      -5.698390     -1.234509      9.770313
  C      -6.761265     -2.358389      7.549709
  C      -1.171478     -2.856634      6.413795
  C      -2.590605     -2.361677      6.133361
  C      -3.726872     -3.396679      6.103839
  C      -3.951164     -4.080191      7.461121
  N      -4.982947     -5.093478      7.336371
  C      -5.759235     -5.493934      8.409667
  C      -6.939069     -6.233540      8.169496
  C      -7.735917     -6.639759      9.234329
  C      -7.394592     -6.335762     10.554381
  C      -6.220475     -5.610725     10.798363
  S      -5.691603     -5.168154     12.427330
  C      -5.405698     -5.192794      9.735923
  H      -0.669072     -1.352774      0.131113
  H      -1.930661     -0.859900      1.281603
  H      -2.305876     -1.009082     -0.449929
  H      -1.498274     -3.328351      1.426464
  H      -1.844693     -3.506269     -0.300296
  H      -3.872648     -2.267268      1.606206
  H      -4.165345     -2.170879     -0.907700
  H      -4.313784     -3.924864     -0.928521
  H      -6.401409     -3.826628      0.026742
  H      -4.801504     -0.509018      0.474052
  H      -5.924761      1.308800      1.688284
  H      -8.240135      1.052220      2.547371
  H     -10.290658     -0.034461      2.876294
  H      -8.359352     -2.935182      0.888359
  H     -10.526254     -5.560482      1.503750
  H     -10.444594     -4.277891      2.721915
  H     -10.500147     -5.981538      3.227231
  H      -8.164868     -4.620170      1.721367
  H      -8.271858     -6.352628      2.020260
  H      -8.268436     -5.910111      4.489994
  H      -9.205048     -3.624010      4.388473
  H      -7.702901     -3.037508      3.674231
  H      -7.787162     -4.347948      6.341452
  H      -7.726964     -1.181353      4.486532
  H      -6.907434      0.908689      5.482891
  H      -5.993217      0.966559      7.791528
  H      -5.431005      0.086589      9.887937
  H      -6.734269     -3.278178      8.137904
  H      -0.777591     -3.471420      5.593580
  H      -1.110108     -3.445424      7.340369
  H      -0.493118     -1.999790      6.529579
  H      -2.876638     -1.621272      6.898877
  H      -2.612881     -1.826862      5.170286
  H      -4.646550     -2.831053      5.904669
  H      -3.021973     -4.526274      7.855081
  H      -4.245065     -3.285655      8.171345
  H      -5.488177     -5.042793      6.452910
  H      -7.210670     -6.494612      7.143359
  H      -8.647121     -7.207822      9.037108
  H      -8.029508     -6.660775     11.378510
  H      -6.731332     -5.731474     13.084002
  H      -4.498760     -4.625796      9.947384
  N      -5.385491     -2.704338      3.478116
  H      -5.648846     -1.712813      3.475720
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.731375813549
  N      -3.876099     -4.336171      1.753257
  C      -3.453517     -5.594364      1.129382
  C      -2.924364     -6.510206      2.216788
  N      -3.894496     -6.513497      3.334876
  C      -5.023164     -7.436072      3.084354
  C      -6.227204     -6.959886      3.867071
  N      -6.429642     -5.516751      3.669646
  Mo     -4.839388     -4.347409      3.468315
  N      -3.637858     -4.400158      5.016293
  C      -2.639574     -5.466334      5.140657
  C      -3.245417     -6.764756      4.644577
  H      -2.329897     -5.588833      6.187893
  H      -1.730415     -5.210821      4.568617
  H      -4.021034     -7.082762      5.353808
  H      -2.496017     -7.570009      4.561519
  H      -7.113739     -7.516435      3.522743
  H      -6.119309     -7.182441      4.945921
  H      -5.255661     -7.399114      2.010857
  H      -4.749098     -8.473175      3.342996
  H      -2.663151     -5.413682      0.386864
  H      -4.294652     -6.065295      0.589711
  H      -1.975810     -6.104271      2.592884
  H      -2.743858     -7.535086      1.851102
  C      -1.709825     -1.494275      0.424790
  C      -2.101953     -2.957153      0.634669
  C      -3.597806     -3.116224      0.969581
  C      -4.468950     -3.029383     -0.303745
  N      -5.891168     -2.902464     -0.069805
  C      -6.462438     -1.823694      0.577482
  C      -5.755054     -0.629252      0.832386
  C      -6.384783      0.419945      1.503773
  C      -7.705874      0.328154      1.939509
  C      -8.423631     -0.847406      1.661460
  S     -10.106245     -1.079892      2.162168
  C      -7.809071     -1.903955      0.987440
  C     -10.114007     -5.333833      2.550606
  C      -8.589654     -5.410375      2.484062
  C      -7.866797     -5.175176      3.822106
  C      -8.133216     -3.778105      4.369770
  N      -7.525115     -3.587173      5.673172
  C      -7.270722     -2.324743      6.197138
  C      -7.361616     -1.146229      5.429303
  C      -6.953949      0.071099      5.980416
  C      -6.468053      0.161136      7.282201
  C      -6.427820     -1.004523      8.067531
  S      -5.837551     -1.015707      9.737828
  C      -6.838775     -2.227049      7.534607
  C      -1.163822     -2.859228      6.420674
  C      -2.587176     -2.372255      6.148848
  C      -3.717513     -3.414502      6.119480
  C      -3.920877     -4.119139      7.468760
  N      -4.934418     -5.149828      7.334632
  C      -5.691662     -5.588455      8.408143
  C      -6.852663     -6.356707      8.165662
  C      -7.630011     -6.799391      9.230711
  C      -7.287117     -6.503718     10.552334
  C      -6.131606     -5.750042     10.798309
  S      -5.604117     -5.313319     12.429138
  C      -5.336400     -5.295971      9.735613
  H      -0.639589     -1.406452      0.193448
  H      -1.909285     -0.900878      1.329576
  H      -2.263613     -1.036046     -0.407346
  H      -1.515640     -3.375853      1.467870
  H      -1.841407     -3.540765     -0.264126
  H      -3.874853     -2.277744      1.618921
  H      -4.120051     -2.172327     -0.902016
  H      -4.308466     -3.921300     -0.926696
  H      -6.417382     -3.768139     -0.021619
  H      -4.723840     -0.510186      0.503590
  H      -5.823699      1.336435      1.696183
  H      -8.175307      1.155549      2.471716
  H     -10.269148      0.137633      2.728495
  H      -8.379853     -2.807096      0.762343
  H     -10.555353     -5.635833      1.590761
  H     -10.468897     -4.317610      2.769931
  H     -10.512360     -6.006354      3.325471
  H      -8.196688     -4.678248      1.761514
  H      -8.292385     -6.401828      2.107888
  H      -8.273619     -5.893148      4.562333
  H      -9.224625     -3.617112      4.397197
  H      -7.727218     -3.038137      3.668467
  H      -7.796616     -4.276735      6.372600
  H      -7.791288     -1.159002      4.427412
  H      -7.027307      0.975662      5.372926
  H      -6.147399      1.119432      7.691590
  H      -5.591586      0.312460      9.817371
  H      -6.803029     -3.127963      8.150456
  H      -0.768798     -3.468711      5.596828
  H      -1.094739     -3.450728      7.344832
  H      -0.491234     -1.997952      6.536900
  H      -2.873425     -1.637246      6.919417
  H      -2.617292     -1.832601      5.188651
  H      -4.643638     -2.853902      5.936457
  H      -2.981377     -4.554993      7.849952
  H      -4.224904     -3.340635      8.192360
  H      -5.446640     -5.102783      6.454242
  H      -7.124095     -6.611750      7.137741
  H      -8.526824     -7.389581      9.032391
  H      -7.907123     -6.857039     11.376253
  H      -6.622715     -5.914352     13.085594
  H      -4.444729     -4.705220      9.947206
  N      -5.393657     -2.708477      3.498108
  H      -5.654976     -1.716139      3.497168
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.730663659903
  N      -3.885757     -4.336476      1.706997
  C      -3.448940     -5.578774      1.061491
  C      -2.896014     -6.501301      2.132417
  N      -3.855797     -6.536724      3.258777
  C      -4.970005     -7.473549      3.001308
  C      -6.174017     -7.030494      3.800736
  N      -6.399573     -5.587957      3.629790
  Mo     -4.832380     -4.386704      3.430778
  N      -3.610812     -4.438590      4.962159
  C      -2.601767     -5.497473      5.067344
  C      -3.195264     -6.797575      4.561142
  H      -2.277707     -5.625833      6.109192
  H      -1.702077     -5.227328      4.487152
  H      -3.960862     -7.134749      5.272121
  H      -2.435876     -7.591596      4.461460
  H      -7.054338     -7.594596      3.451798
  H      -6.055358     -7.270619      4.874566
  H      -5.211280     -7.423020      1.930291
  H      -4.677159     -8.509930      3.241219
  H      -2.666106     -5.375142      0.316763
  H      -4.286296     -6.054561      0.519947
  H      -1.951356     -6.084769      2.506861
  H      -2.701069     -7.517726      1.750798
  C      -1.719716     -1.476599      0.421507
  C      -2.119688     -2.941657      0.599780
  C      -3.612169     -3.098764      0.950291
  C      -4.497062     -2.963559     -0.308991
  N      -5.914879     -2.823698     -0.056081
  C      -6.454116     -1.774785      0.664416
  C      -5.709084     -0.624954      1.002728
  C      -6.301526      0.387600      1.759023
  C      -7.621821      0.302090      2.198305
  C      -8.378103     -0.825397      1.835148
  S     -10.069160     -1.035482      2.317862
  C      -7.801776     -1.843281      1.072794
  C     -10.076317     -5.472256      2.484120
  C      -8.549867     -5.511765      2.434190
  C      -7.843924     -5.278480      3.781705
  C      -8.140278     -3.896000      4.349515
  N      -7.567519     -3.726812      5.672356
  C      -7.330815     -2.474028      6.226311
  C      -7.348715     -1.283985      5.470456
  C      -6.956210     -0.082054      6.065778
  C      -6.557158     -0.018104      7.397939
  C      -6.588390     -1.194708      8.166787
  S      -6.114927     -1.238854      9.873323
  C      -6.984654     -2.402011      7.590171
  C      -1.082577     -2.962095      6.317165
  C      -2.489129     -2.426908      6.048269
  C      -3.655673     -3.427262      6.045271
  C      -3.889755     -4.081493      7.414690
  N      -4.973472     -5.042196      7.320016
  C      -5.755014     -5.380192      8.410872
  C      -6.971730     -6.068150      8.204509
  C      -7.770834     -6.410520      9.290067
  C      -7.397135     -6.089252     10.597354
  C      -6.189411     -5.410510     10.807048
  S      -5.620163     -4.946682     12.416450
  C      -5.372414     -5.057504      9.722935
  H      -0.651947     -1.390686      0.178373
  H      -1.902907     -0.904707      1.343322
  H      -2.280489     -0.993655     -0.391718
  H      -1.525780     -3.385613      1.414243
  H      -1.875100     -3.503821     -0.316976
  H      -3.873486     -2.277391      1.626930
  H      -4.143777     -2.088947     -0.878416
  H      -4.354199     -3.833880     -0.965932
  H      -6.455672     -3.682107     -0.044094
  H      -4.675611     -0.514156      0.678578
  H      -5.711445      1.269396      2.016038
  H      -8.062896      1.101663      2.793643
  H     -10.195225      0.148912      2.958999
  H      -8.404807     -2.702764      0.770463
  H     -10.499481     -5.768240      1.514213
  H     -10.458134     -4.469044      2.716059
  H     -10.467377     -6.166970      3.242563
  H      -8.165840     -4.762816      1.724785
  H      -8.226287     -6.491879      2.049486
  H      -8.240689     -6.015919      4.507877
  H      -9.233727     -3.748046      4.353665
  H      -7.726071     -3.138640      3.672802
  H      -7.877048     -4.419340      6.354606
  H      -7.691784     -1.278997      4.439043
  H      -6.968788      0.831243      5.467129
  H      -6.245344      0.927968      7.839770
  H      -5.859464      0.084442      9.991727
  H      -7.007915     -3.311302      8.194746
  H      -0.719820     -3.602052      5.501638
  H      -1.026426     -3.537836      7.252171
  H      -0.376302     -2.125341      6.409859
  H      -2.742801     -1.668219      6.807468
  H      -2.507214     -1.904222      5.078499
  H      -4.559040     -2.835722      5.849290
  H      -2.978582     -4.566185      7.804686
  H      -4.134164     -3.262715      8.115664
  H      -5.486629     -4.983810      6.442292
  H      -7.270050     -6.341062      7.189213
  H      -8.709872     -6.940512      9.119553
  H      -8.034772     -6.363508     11.437792
  H      -6.674150     -5.446277     13.101358
  H      -4.442174     -4.520681      9.904542
  N      -5.417781     -2.759279      3.491445
  H      -5.695436     -1.771545      3.504658
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.731643424839
  N      -3.875380     -4.336740      1.734691
  C      -3.449058     -5.590696      1.104720
  C      -2.913106     -6.508519      2.187492
  N      -3.881430     -6.520804      3.307124
  C      -5.005537     -7.447725      3.052691
  C      -6.211497     -6.981878      3.838059
  N      -6.418543     -5.538367      3.649860
  Mo     -4.836333     -4.358867      3.451302
  N      -3.631653     -4.409282      4.995883
  C      -2.630080     -5.473510      5.114870
  C      -3.230977     -6.773378      4.616107
  H      -2.315034     -5.596574      6.160241
  H      -1.724598     -5.213672      4.538963
  H      -4.004342     -7.097221      5.324918
  H      -2.477403     -7.574446      4.529904
  H      -7.096195     -7.539106      3.489749
  H      -6.102662     -7.210807      4.915452
  H      -5.238172     -7.406797      1.979352
  H      -4.726543     -8.484746      3.306379
  H      -2.662210     -5.403926      0.360017
  H      -4.289766     -6.063509      0.565864
  H      -1.965684     -6.100183      2.563867
  H      -2.728802     -7.531099      1.817186
  C      -1.711668     -1.491153      0.407811
  C      -2.106065     -2.954361      0.611327
  C      -3.599602     -3.112090      0.958198
  C      -4.482886     -3.013572     -0.305694
  N      -5.902941     -2.886480     -0.055162
  C      -6.464607     -1.810717      0.606912
  C      -5.757957     -0.612929      0.848640
  C      -6.377841      0.430986      1.537422
  C      -7.687503      0.329989      2.004222
  C      -8.405149     -0.849004      1.740033
  S     -10.076264     -1.089173      2.274737
  C      -7.801996     -1.898359      1.044524
  C     -10.096475     -5.379170      2.510268
  C      -8.570811     -5.435318      2.450222
  C      -7.857858     -5.202991      3.794134
  C      -8.127847     -3.808679      4.345504
  N      -7.551247     -3.636583      5.666395
  C      -7.292483     -2.381265      6.207886
  C      -7.294705     -1.199385      5.440137
  C      -6.883942      0.002802      6.021235
  C      -6.480715      0.075247      7.351952
  C      -6.525835     -1.093022      8.133025
  S      -6.048003     -1.127075      9.838451
  C      -6.940715     -2.300456      7.569694
  C      -1.135949     -2.896559      6.400517
  C      -2.549041     -2.389848      6.112060
  C      -3.697950     -3.411854      6.089723
  C      -3.921766     -4.092716      7.448101
  N      -4.965772     -5.093863      7.329847
  C      -5.719714     -5.504921      8.416849
  C      -6.901791     -6.246763      8.196147
  C      -7.675551     -6.661086      9.275094
  C      -7.307468     -6.362570     10.589454
  C      -6.131138     -5.635050     10.813876
  S      -5.572168     -5.196770     12.433796
  C      -5.340197     -5.208736      9.736413
  H      -0.643123     -1.404525      0.168208
  H      -1.901930     -0.903290      1.318155
  H      -2.270786     -1.025780     -0.416669
  H      -1.513869     -3.380031      1.436784
  H      -1.854501     -3.532758     -0.293312
  H      -3.868822     -2.278924      1.616817
  H      -4.138900     -2.151678     -0.899869
  H      -4.330075     -3.900634     -0.937308
  H      -6.425968     -3.753661      0.003541
  H      -4.736468     -0.486811      0.494481
  H      -5.818722      1.351022      1.717746
  H      -8.149291      1.154304      2.547744
  H     -10.235880      0.130946      2.836525
  H      -8.373505     -2.802498      0.823966
  H     -10.529732     -5.677543      1.545609
  H     -10.466181     -4.370219      2.737699
  H     -10.488689     -6.064375      3.277134
  H      -8.183170     -4.693737      1.734201
  H      -8.260199     -6.420835      2.068915
  H      -8.268712     -5.924478      4.528529
  H      -9.218377     -3.639809      4.347883
  H      -7.698932     -3.066587      3.660903
  H      -7.867462     -4.318163      6.355791
  H      -7.644925     -1.199242      4.410810
  H      -6.884983      0.909718      5.412772
  H      -6.155819      1.021527      7.784673
  H      -5.771581      0.193292      9.942366
  H      -6.974740     -3.202890      8.183603
  H      -0.747187     -3.528619      5.590977
  H      -1.081463     -3.470822      7.336419
  H      -0.449374     -2.044794      6.503643
  H      -2.826606     -1.638383      6.869935
  H      -2.563430     -1.863574      5.144109
  H      -4.611514     -2.834607      5.895941
  H      -2.997243     -4.552917      7.836845
  H      -4.200893     -3.294481      8.160411
  H      -5.491123     -5.033056      6.458735
  H      -7.192217     -6.505084      7.174566
  H      -8.588827     -7.231058      9.093869
  H      -7.924944     -6.693724     11.424532
  H      -6.597786     -5.764738     13.108525
  H      -4.434063     -4.634461      9.929894
  N      -5.402903     -2.723993      3.489303
  H      -5.667955     -1.732747      3.487402
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.731124956594
  N      -3.883135     -4.344902      1.740103
  C      -3.446628     -5.603764      1.127730
  C      -2.916022     -6.505517      2.226436
  N      -3.893429     -6.508747      3.338371
  C      -5.011382     -7.443950      3.086444
  C      -6.223946     -6.972774      3.857869
  N      -6.439198     -5.533158      3.647142
  Mo     -4.856711     -4.352081      3.448879
  N      -3.664992     -4.381103      5.004971
  C      -2.661241     -5.439271      5.148349
  C      -3.252546     -6.745583      4.655094
  H      -2.363750     -5.553131      6.200164
  H      -1.746692     -5.181239      4.586143
  H      -4.031091     -7.064620      5.360690
  H      -2.496511     -7.545706      4.582965
  H      -7.102814     -7.541024      3.512889
  H      -6.120751     -7.184973      4.938948
  H      -5.237411     -7.417374      2.011288
  H      -4.728774     -8.476143      3.355048
  H      -2.651893     -5.422070      0.390053
  H      -4.279981     -6.085470      0.585552
  H      -1.974201     -6.086437      2.605147
  H      -2.722810     -7.531706      1.871153
  C      -1.689788     -1.520667      0.415939
  C      -2.095660     -2.980206      0.624063
  C      -3.592732     -3.125751      0.960087
  C      -4.465179     -3.024089     -0.310429
  N      -5.884283     -2.875753     -0.070401
  C      -6.428054     -1.794306      0.596782
  C      -5.696727     -0.614768      0.852303
  C      -6.296700      0.436515      1.547343
  C      -7.610862      0.360602      2.006636
  C      -8.353589     -0.799165      1.726434
  S     -10.030885     -1.009235      2.253747
  C      -7.768698     -1.857057      1.028539
  C     -10.140082     -5.395697      2.571072
  C      -8.616268     -5.451779      2.483562
  C      -7.878031     -5.204221      3.811077
  C      -8.148521     -3.809067      4.358859
  N      -7.505948     -3.613101      5.644816
  C      -7.261783     -2.349246      6.170270
  C      -7.410575     -1.166206      5.418995
  C      -7.015981      0.055944      5.969413
  C      -6.484070      0.145110      7.253455
  C      -6.381220     -1.027689      8.022087
  S      -5.723071     -1.041887      9.666892
  C      -6.782310     -2.254536      7.491485
  C      -1.213101     -2.812931      6.413583
  C      -2.638349     -2.336528      6.131117
  C      -3.761717     -3.385262      6.099141
  C      -3.974061     -4.079561      7.453155
  N      -4.986295     -5.113034      7.323450
  C      -5.721659     -5.568386      8.405621
  C      -6.878779     -6.345696      8.173934
  C      -7.635290     -6.806771      9.245805
  C      -7.274247     -6.522844     10.565093
  C      -6.121994     -5.760781     10.800307
  S      -5.571074     -5.338239     12.427370
  C      -5.348657     -5.286855      9.730385
  H      -0.618893     -1.443092      0.184200
  H      -1.882860     -0.926423      1.321538
  H      -2.239195     -1.055702     -0.415436
  H      -1.512884     -3.405987      1.456083
  H      -1.841520     -3.564573     -0.276128
  H      -3.860442     -2.286975      1.613156
  H      -4.106594     -2.169743     -0.906560
  H      -4.320478     -3.916247     -0.937257
  H      -6.417197     -3.736678     -0.004362
  H      -4.668894     -0.508852      0.507697
  H      -5.716818      1.341338      1.740149
  H      -8.056892      1.188934      2.557335
  H     -10.164804      0.206718      2.830799
  H      -8.358903     -2.747045      0.801588
  H     -10.590194     -5.698869      1.615611
  H     -10.505444     -4.385483      2.800425
  H     -10.519054     -6.077362      3.347711
  H      -8.243004     -4.716246      1.753885
  H      -8.311255     -6.440321      2.105965
  H      -8.267221     -5.922992      4.559942
  H      -9.240359     -3.658653      4.412770
  H      -7.766244     -3.067140      3.646810
  H      -7.761817     -4.303808      6.348680
  H      -7.880527     -1.180333      4.433573
  H      -7.140348      0.965270      5.377508
  H      -6.175671      1.107993      7.662558
  H      -5.525546      0.293455      9.759316
  H      -6.700237     -3.160641      8.095395
  H      -0.808604     -3.419898      5.592698
  H      -1.145176     -3.403108      7.338932
  H      -0.547225     -1.946779      6.533198
  H      -2.934191     -1.600238      6.896759
  H      -2.665757     -1.801151      5.168411
  H      -4.688879     -2.831126      5.901437
  H      -3.036123     -4.512437      7.840734
  H      -4.278851     -3.294719      8.169961
  H      -5.521096     -5.045010      6.457194
  H      -7.164050     -6.592490      7.147965
  H      -8.529411     -7.403459      9.054858
  H      -7.876981     -6.891508     11.394911
  H      -6.576166     -5.951490     13.093193
  H      -4.459738     -4.689491      9.935446
  N      -5.424744     -2.717426      3.459979
  H      -5.689058     -1.726383      3.439196
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.731719666188
  N      -3.871577     -4.338511      1.735398
  C      -3.445833     -5.593766      1.107814
  C      -2.910862     -6.509698      2.192660
  N      -3.879297     -6.519388      3.312243
  C      -5.004602     -7.445128      3.059406
  C      -6.209337     -6.976329      3.844672
  N      -6.416799     -5.533204      3.653200
  Mo     -4.830708     -4.357263      3.452633
  N      -3.623348     -4.407766      4.996014
  C      -2.624881     -5.474079      5.118824
  C      -3.229028     -6.772558      4.621013
  H      -2.314044     -5.597631      6.165523
  H      -1.716317     -5.217188      4.546472
  H      -4.003343     -7.093033      5.330573
  H      -2.478404     -7.576387      4.535250
  H      -7.093965     -7.534566      3.497964
  H      -6.100622     -7.202964      4.922472
  H      -5.238323     -7.404766      1.986287
  H      -4.726453     -8.482143      3.313785
  H      -2.657184     -5.408671      0.364486
  H      -4.286191     -6.066476      0.568523
  H      -1.963372     -6.100471      2.567933
  H      -2.726592     -7.533073      1.824604
  C      -1.710606     -1.492745      0.405206
  C      -2.103329     -2.956171      0.610314
  C      -3.596540     -3.114871      0.956772
  C      -4.479535     -3.018802     -0.307362
  N      -5.898813     -2.891514     -0.056286
  C      -6.458317     -1.818900      0.611175
  C      -5.746384     -0.626843      0.864235
  C      -6.362862      0.415003      1.558978
  C      -7.674986      0.318020      2.020134
  C      -8.397852     -0.855039      1.744352
  S     -10.070691     -1.092470      2.274292
  C      -7.796648     -1.903993      1.046593
  C     -10.098206     -5.370996      2.523774
  C      -8.573130     -5.431843      2.460654
  C      -7.856459     -5.199884      3.802631
  C      -8.133698     -3.808490      4.357395
  N      -7.544212     -3.629754      5.670781
  C      -7.302690     -2.371998      6.211392
  C      -7.375809     -1.187217      5.451948
  C      -6.980290      0.024965      6.023038
  C      -6.523421      0.102879      7.336123
  C      -6.500148     -1.069779      8.111570
  S      -5.943259     -1.097016      9.793061
  C      -6.900613     -2.286946      7.558841
  C      -1.126728     -2.903213      6.396967
  C      -2.539219     -2.390795      6.114942
  C      -3.689326     -3.410909      6.090825
  C      -3.913668     -4.096322      7.446829
  N      -4.960676     -5.093682      7.323528
  C      -5.720492     -5.508039      8.404207
  C      -6.904444     -6.244246      8.173572
  C      -7.685487     -6.661524      9.245974
  C      -7.323959     -6.372216     10.563990
  C      -6.146244     -5.649833     10.798294
  S      -5.593697     -5.223287     12.423628
  C      -5.347709     -5.220368      9.728043
  H      -0.642034     -1.405503      0.166134
  H      -1.902127     -0.903802      1.314594
  H      -2.269924     -1.029161     -0.420261
  H      -1.510808     -3.380370      1.436284
  H      -1.851165     -3.535080     -0.293918
  H      -3.866802     -2.279901      1.613489
  H      -4.135707     -2.158373     -0.903656
  H      -4.327299     -3.907192     -0.937524
  H      -6.423550     -3.757971     -0.002898
  H      -4.721905     -0.503564      0.516154
  H      -5.798355      1.329911      1.749106
  H      -8.134123      1.139776      2.569831
  H     -10.224917      0.121967      2.849572
  H      -8.371674     -2.804997      0.823389
  H     -10.534094     -5.668917      1.560136
  H     -10.463706     -4.360406      2.751228
  H     -10.491687     -6.054312      3.291679
  H      -8.185282     -4.690452      1.744571
  H      -8.265309     -6.417742      2.078436
  H      -8.261857     -5.924399      4.537287
  H      -9.225592     -3.649626      4.371711
  H      -7.719253     -3.062096      3.668096
  H      -7.833068     -4.323401      6.359388
  H      -7.777611     -1.192268      4.438933
  H      -7.039774      0.935063      5.422366
  H      -6.210778      1.057242      7.760466
  H      -5.704334      0.231103      9.892171
  H      -6.879962     -3.193596      8.167182
  H      -0.741138     -3.528484      5.580562
  H      -1.072733     -3.486860      7.327160
  H      -0.437389     -2.054478      6.507260
  H      -2.814150     -1.643169      6.877489
  H      -2.555102     -1.859902      5.149573
  H      -4.603107     -2.833794      5.898057
  H      -2.988276     -4.558363      7.831351
  H      -4.190640     -3.301364      8.163450
  H      -5.479488     -5.029032      6.448163
  H      -7.191611     -6.494263      7.148858
  H      -8.599992     -7.226943      9.056514
  H      -7.946731     -6.705970     11.393920
  H      -6.623240     -5.793861     13.090082
  H      -4.439251     -4.652736      9.930624
  N      -5.391273     -2.720503      3.488505
  H      -5.653443     -1.728375      3.487567
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.731162205415
  N      -3.882498     -4.327339      1.737997
  C      -3.447773     -5.576983      1.104702
  C      -2.909397     -6.496229      2.185484
  N      -3.879888     -6.517569      3.303103
  C      -4.997696     -7.450589      3.043561
  C      -6.207577     -6.994644      3.828538
  N      -6.421206     -5.551931      3.644139
  Mo     -4.848755     -4.360295      3.452004
  N      -3.649288     -4.406733      4.999242
  C      -2.641100     -5.465069      5.116299
  C      -3.231827     -6.768352      4.613903
  H      -2.323074     -5.586649      6.160723
  H      -1.738765     -5.198506      4.538494
  H      -4.004418     -7.099738      5.319746
  H      -2.471353     -7.563007      4.528058
  H      -7.089397     -7.555167      3.477532
  H      -6.098130     -7.225637      4.905619
  H      -5.228015     -7.408581      1.969770
  H      -4.713282     -8.486616      3.295529
  H      -2.661743     -5.384065      0.360929
  H      -4.285163     -6.053061      0.563282
  H      -1.964799     -6.085146      2.566021
  H      -2.719357     -7.516504      1.811613
  C      -1.726057     -1.464452      0.434255
  C      -2.113622     -2.930560      0.630256
  C      -3.608064     -3.097170      0.969401
  C      -4.484493     -2.992520     -0.299104
  N      -5.907461     -2.869939     -0.058583
  C      -6.474744     -1.803659      0.615469
  C      -5.767501     -0.613084      0.888926
  C      -6.393175      0.419578      1.589874
  C      -7.709761      0.314796      2.035842
  C      -8.427691     -0.856608      1.739957
  S     -10.110979     -1.096012      2.236624
  C      -7.818239     -1.894847      1.033485
  C     -10.108574     -5.419075      2.529447
  C      -8.582551     -5.461500      2.458014
  C      -7.860767     -5.222408      3.796174
  C      -8.121935     -3.825838      4.345288
  N      -7.520869     -3.650618      5.655836
  C      -7.234775     -2.392298      6.180433
  C      -7.200210     -1.221766      5.396205
  C      -6.757921     -0.023923      5.961948
  C      -6.356235      0.056563      7.292400
  C      -6.431919     -1.099844      8.088568
  S      -5.956691     -1.125331      9.794701
  C      -6.878801     -2.302964      7.540692
  C      -1.167815     -2.882270      6.421369
  C      -2.581395     -2.383323      6.122870
  C      -3.725601     -3.410163      6.093157
  C      -3.959612     -4.085332      7.451852
  N      -4.996087     -5.093407      7.326920
  C      -5.750537     -5.500446      8.415967
  C      -6.929819     -6.246844      8.198128
  C      -7.699660     -6.662952      9.279237
  C      -7.329888     -6.359740     10.592375
  C      -6.157427     -5.625223     10.813510
  S      -5.598682     -5.179835     12.431644
  C      -5.370820     -5.197365      9.733216
  H      -0.656801     -1.371055      0.200275
  H      -1.923856     -0.881253      1.345899
  H      -2.283275     -0.998856     -0.391279
  H      -1.523157     -3.356380      1.456925
  H      -1.854501     -3.503951     -0.275290
  H      -3.883963     -2.269714      1.632130
  H      -4.138849     -2.123570     -0.881778
  H      -4.324453     -3.872759     -0.938133
  H      -6.429692     -3.738648     -0.014438
  H      -4.740583     -0.485655      0.552758
  H      -5.834344      1.334408      1.794843
  H      -8.177017      1.132406      2.584702
  H     -10.280251      0.121333      2.801761
  H      -8.389555     -2.791801      0.784581
  H     -10.546688     -5.719473      1.567680
  H     -10.486677     -4.414469      2.761500
  H     -10.488024     -6.109062      3.298126
  H      -8.206680     -4.719122      1.736777
  H      -8.266844     -6.445405      2.076047
  H      -8.264848     -5.941633      4.536174
  H      -9.211731     -3.654062      4.363380
  H      -7.701264     -3.088558      3.651510
  H      -7.849145     -4.312444      6.360402
  H      -7.540033     -1.227848      4.366488
  H      -6.729463      0.873455      5.340114
  H      -6.006003      0.998979      7.712615
  H      -5.641280      0.187314      9.881970
  H      -6.933026     -3.196592      8.166145
  H      -0.771746     -3.516825      5.617382
  H      -1.115280     -3.451025      7.360714
  H      -0.485948     -2.026730      6.523442
  H      -2.867045     -1.631870      6.877768
  H      -2.591632     -1.858054      5.154287
  H      -4.638479     -2.834396      5.892355
  H      -3.039673     -4.540538      7.856656
  H      -4.251112     -3.283293      8.155395
  H      -5.529148     -5.021694      6.461941
  H      -7.219695     -6.509864      7.177654
  H      -8.610360     -7.237790      9.100877
  H      -7.944459     -6.692038     11.429314
  H      -6.622992     -5.747450     13.108648
  H      -4.469295     -4.614578      9.922840
  N      -5.429177     -2.730170      3.495706
  H      -5.698577     -1.740542      3.491739
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.731790266810
  N      -3.874967     -4.334517      1.736945
  C      -3.446528     -5.588150      1.108025
  C      -2.912257     -6.505384      2.192252
  N      -3.882307     -6.517953      3.310415
  C      -5.005654     -7.445284      3.054745
  C      -6.212378     -6.979604      3.838821
  N      -6.421201     -5.536499      3.649161
  Mo     -4.838106     -4.356851      3.452174
  N      -3.634440     -4.406656      4.997837
  C      -2.633484     -5.470775      5.119864
  C      -3.233906     -6.770496      4.620408
  H      -2.321339     -5.593738      6.166202
  H      -1.726235     -5.211320      4.546543
  H      -4.008550     -7.093697      5.328244
  H      -2.480725     -7.572060      4.535471
  H      -7.095997     -7.538324      3.490159
  H      -6.104491     -7.207513      4.916492
  H      -5.237506     -7.404400      1.981237
  H      -4.726360     -8.482131      3.308689
  H      -2.657505     -5.400965      0.365626
  H      -4.285576     -6.061339      0.566968
  H      -1.965704     -6.096201      2.569925
  H      -2.726545     -7.527935      1.822602
  C      -1.710144     -1.485443      0.419954
  C      -2.103224     -2.949332      0.621281
  C      -3.597627     -3.108927      0.962306
  C      -4.475771     -3.008839     -0.305092
  N      -5.896649     -2.883944     -0.060345
  C      -6.461032     -1.815422      0.610103
  C      -5.751271     -0.624862      0.876392
  C      -6.372935      0.411689      1.574635
  C      -7.688101      0.310840      2.026121
  C      -8.408754     -0.860358      1.736719
  S     -10.086500     -1.100604      2.250059
  C      -7.802784     -1.903403      1.034293
  C     -10.104741     -5.384694      2.524361
  C      -8.579377     -5.439039      2.458590
  C      -7.861000     -5.204417      3.799229
  C      -8.134607     -3.811727      4.352534
  N      -7.538103     -3.633454      5.663275
  C      -7.282701     -2.376008      6.199965
  C      -7.337424     -1.192285      5.437017
  C      -6.925645      0.015607      6.005367
  C      -6.469730      0.091083      7.318750
  C      -6.462731     -1.079808      8.097167
  S      -5.910700     -1.110219      9.780116
  C      -6.879155     -2.292867      7.547169
  C      -1.142491     -2.893419      6.404507
  C      -2.555649     -2.386362      6.116413
  C      -3.703274     -3.409315      6.091970
  C      -3.928709     -4.091357      7.449309
  N      -4.970789     -5.094056      7.326817
  C      -5.728006     -5.507558      8.410090
  C      -6.909098     -6.249351      8.183444
  C      -7.685944     -6.667733      9.258527
  C      -7.322650     -6.373428     10.575054
  C      -6.148068     -5.644778     10.805297
  S      -5.594526     -5.211369     12.428473
  C      -5.353935     -5.214191      9.732089
  H      -0.640785     -1.397416      0.184660
  H      -1.904871     -0.898148      1.329709
  H      -2.266687     -1.020596     -0.406625
  H      -1.513510     -3.374791      1.448611
  H      -1.847679     -3.526739     -0.282926
  H      -3.870204     -2.276186      1.620574
  H      -4.130173     -2.145024     -0.895478
  H      -4.319520     -3.893961     -0.938715
  H      -6.421391     -3.750943     -0.016045
  H      -4.724594     -0.499198      0.536390
  H      -5.810459      1.325564      1.775181
  H      -8.151463      1.129116      2.577427
  H     -10.247466      0.112473      2.826447
  H      -8.376468     -2.801847      0.797156
  H     -10.541181     -5.683695      1.561326
  H     -10.474512     -4.376032      2.753164
  H     -10.493653     -6.070209      3.292543
  H      -8.195821     -4.696858      1.741170
  H      -8.268446     -6.423984      2.076194
  H      -8.265320     -5.927516      4.535742
  H      -9.226141     -3.650878      4.370616
  H      -7.721120     -3.067447      3.660771
  H      -7.833387     -4.320061      6.356681
  H      -7.733841     -1.194788      4.423084
  H      -6.969833      0.924501      5.401517
  H      -6.144191      1.041991      7.740635
  H      -5.650340      0.214069      9.875523
  H      -6.869642     -3.198311      8.157798
  H      -0.753526     -3.523304      5.593335
  H      -1.088669     -3.470333      7.338892
  H      -0.455690     -2.042091      6.510246
  H      -2.834587     -1.636793      6.875607
  H      -2.570073     -1.858512      5.149328
  H      -4.617467     -2.833458      5.897367
  H      -3.003666     -4.549087      7.839701
  H      -4.211365     -3.294318      8.161585
  H      -5.493165     -5.030173      6.453758
  H      -7.196631     -6.503977      7.160026
  H      -8.598151     -7.237913      9.072452
  H      -7.942203     -6.708058     11.407110
  H      -6.621645     -5.782620     13.098083
  H      -4.448551     -4.640373      9.930966
  N      -5.402532     -2.721414      3.490039
  H      -5.665272     -1.729579      3.488853
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.731789509065
  N      -3.875888     -4.339302      1.733187
  C      -3.445968     -5.594409      1.108420
  C      -2.910725     -6.507168      2.195977
  N      -3.881011     -6.517318      3.313913
  C      -5.002826     -7.447241      3.060767
  C      -6.210749     -6.980847      3.842531
  N      -6.421500     -5.538679      3.648082
  Mo     -4.840089     -4.357313      3.447852
  N      -3.637046     -4.399884      4.994238
  C      -2.634670     -5.462119      5.120806
  C      -3.232799     -6.764406      4.625060
  H      -2.323661     -5.581262      6.167953
  H      -1.727045     -5.203221      4.547838
  H      -4.007388     -7.086352      5.333533
  H      -2.478455     -7.565199      4.543247
  H      -7.093247     -7.542076      3.495088
  H      -6.103299     -7.205139      4.921007
  H      -5.234202     -7.410199      1.987007
  H      -4.722066     -8.482838      3.318192
  H      -2.656680     -5.408661      0.365927
  H      -4.284189     -6.070345      0.568496
  H      -1.964864     -6.095272      2.572421
  H      -2.723398     -7.530703      1.829877
  C      -1.709055     -1.497806      0.403355
  C      -2.104996     -2.960403      0.608561
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  N      -5.900338     -2.884987     -0.057370
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  C      -6.353704      0.416522      1.571725
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  C      -8.392980     -0.847635      1.751150
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  C      -8.578057     -5.439191      2.455075
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  C      -8.134338     -3.815198      4.352304
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  S      -5.936540     -1.132106      9.799910
  C      -6.890231     -2.307762      7.556849
  C      -1.151789     -2.872193      6.396710
  C      -2.567699     -2.372290      6.109569
  C      -3.710249     -3.400930      6.086620
  C      -3.931782     -4.082707      7.444696
  N      -4.968210     -5.091506      7.323085
  C      -5.725566     -5.505445      8.405974
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  C      -7.320839     -6.372591     10.570091
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  S      -5.600610     -5.199506     12.423918
  C      -5.355086     -5.207574      9.728041
  H      -0.640299     -1.412809      0.164234
  H      -1.899206     -0.908481      1.312772
  H      -2.267337     -1.033031     -0.422082
  H      -1.513333     -3.385918      1.434457
  H      -1.854112     -3.539936     -0.295597
  H      -3.866901     -2.281294      1.612867
  H      -4.135043     -2.155236     -0.903138
  H      -4.331334     -3.903696     -0.940518
  H      -6.428795     -3.749498     -0.009642
  H      -4.716072     -0.502807      0.524229
  H      -5.786416      1.328761      1.766107
  H      -8.122231      1.142554      2.585946
  H     -10.218673      0.132526      2.856126
  H      -8.374677     -2.791294      0.815658
  H     -10.538892     -5.679829      1.554679
  H     -10.471833     -4.373586      2.748109
  H     -10.494570     -6.068372      3.285511
  H      -8.192334     -4.696386      1.739445
  H      -8.267958     -6.423995      2.071679
  H      -8.266742     -5.931333      4.532079
  H      -9.225538     -3.651797      4.366001
  H      -7.716037     -3.070327      3.663954
  H      -7.845568     -4.328601      6.356467
  H      -7.723014     -1.200038      4.430033
  H      -6.961206      0.915411      5.419069
  H      -6.151872      1.025694      7.764411
  H      -5.674038      0.191410      9.900122
  H      -6.886888     -3.214733      8.165212
  H      -0.760168     -3.499838      5.585106
  H      -1.094529     -3.449110      7.330891
  H      -0.469175     -2.017476      6.502263
  H      -2.849908     -1.623954      6.868773
  H      -2.585590     -1.844859      5.142319
  H      -4.627442     -2.829944      5.891653
  H      -3.004089     -4.534747      7.835455
  H      -4.218736     -3.286443      8.156081
  H      -5.489812     -5.031068      6.449311
  H      -7.188019     -6.510561      7.155626
  H      -8.590095     -7.245568      9.067161
  H      -7.940530     -6.707782     11.401808
  H      -6.626426     -5.773667     13.093029
  H      -4.452148     -4.630057      9.927364
  N      -5.407696     -2.722897      3.479684
  H      -5.672391     -1.731556      3.474915
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.731795006187
  N      -3.874701     -4.336501      1.735026
  C      -3.445424     -5.590894      1.108311
  C      -2.911350     -6.506080      2.194380
  N      -3.881953     -6.517320      3.312016
  C      -5.004525     -7.445859      3.057197
  C      -6.212195     -6.979821      3.839653
  N      -6.421734     -5.537172      3.647623
  Mo     -4.839521     -4.356673      3.449384
  N      -3.636976     -4.402817      4.996030
  C      -2.635144     -5.465831      5.120560
  C      -3.234106     -6.766953      4.622830
  H      -2.323837     -5.586770      6.167386
  H      -1.727586     -5.206481      4.547655
  H      -4.008978     -7.089469      5.330730
  H      -2.480266     -7.568100      4.539851
  H      -7.095162     -7.539673      3.491143
  H      -6.105008     -7.206060      4.917757
  H      -5.235742     -7.406746      1.983477
  H      -4.724690     -8.482149      3.312841
  H      -2.655846     -5.404508      0.366315
  H      -4.283838     -6.065302      0.567339
  H      -1.965176     -6.095823      2.571828
  H      -2.724918     -7.529134      1.826469
  C      -1.709675     -1.490118      0.412635
  C      -2.103488     -2.953606      0.615544
  C      -3.597545     -3.112011      0.958617
  C      -4.477375     -3.012937     -0.307681
  N      -5.897418     -2.885887     -0.060073
  C      -6.459066     -1.816171      0.610274
  C      -5.746908     -0.626433      0.874133
  C      -6.365055      0.411071      1.574009
  C      -7.678939      0.312038      2.029586
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  C     -10.104080     -5.380079      2.519522
  C      -8.578761     -5.437308      2.455181
  C      -7.861383     -5.204684      3.796661
  C      -8.133373     -3.812005      4.350972
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  C      -6.471168      0.083641      7.328648
  C      -6.467435     -1.088737      8.104849
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  C      -1.149193     -2.882442      6.400796
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  C      -3.930757     -4.088426      7.447329
  N      -4.970803     -5.093552      7.326078
  C      -5.727212     -5.506890      8.409899
  C      -6.908660     -6.248409      8.184145
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  C      -7.320870     -6.371814     10.576045
  C      -6.145836     -5.643599     10.805430
  S      -5.591128     -5.210130     12.428193
  C      -5.352140     -5.213532      9.731708
  H      -0.640528     -1.402966      0.176053
  H      -1.902984     -0.902018      1.322176
  H      -2.266923     -1.025573     -0.413631
  H      -1.512961     -3.378838      1.442408
  H      -1.849480     -3.531842     -0.288565
  H      -3.868926     -2.278334      1.616178
  H      -4.131586     -2.150561     -0.900134
  H      -4.323354     -3.899427     -0.939924
  H      -6.424473     -3.751489     -0.017470
  H      -4.721157     -0.502059      0.530848
  H      -5.800704      1.324196      1.772689
  H      -8.139389      1.130828      2.582569
  H     -10.235909      0.116642      2.838824
  H      -8.375521     -2.799681      0.802581
  H     -10.540230     -5.678438      1.556154
  H     -10.472024     -4.370635      2.747798
  H     -10.495071     -6.064678      3.287476
  H      -8.193124     -4.695167      1.738808
  H      -8.269179     -6.422520      2.072383
  H      -8.266862     -5.927976      4.532320
  H      -9.224539     -3.648590      4.366521
  H      -7.716439     -3.067876      3.661088
  H      -7.838917     -4.323788      6.354961
  H      -7.725925     -1.196477      4.425993
  H      -6.963465      0.920712      5.410906
  H      -6.147712      1.033957      7.753970
  H      -5.660350      0.201664      9.888035
  H      -6.875079     -3.207275      8.159861
  H      -0.759097     -3.511134      5.589218
  H      -1.093371     -3.459462      7.334984
  H      -0.464523     -2.029373      6.506316
  H      -2.844610     -1.630713      6.873436
  H      -2.580468     -1.851019      5.146859
  H      -4.624672     -2.832287      5.896055
  H      -3.004086     -4.544042      7.836361
  H      -4.214298     -3.292279      8.160180
  H      -5.493620     -5.030774      6.453187
  H      -7.197208     -6.502682      7.160932
  H      -8.597628     -7.236017      9.074407
  H      -7.940008     -6.706084     11.408554
  H      -6.617480     -5.781813     13.098610
  H      -4.446120     -4.640482      9.930066
  N      -5.405902     -2.721904      3.484327
  H      -5.669730     -1.730322      3.481700
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.731796550910
  N      -3.874645     -4.336378      1.735451
  C      -3.445638     -5.590826      1.108658
  C      -2.911168     -6.505939      2.194602
  N      -3.881372     -6.517042      3.312592
  C      -5.004010     -7.445618      3.058290
  C      -6.211350     -6.979585      3.841243
  N      -6.420981     -5.536958      3.649293
  Mo     -4.838873     -4.356437      3.450170
  N      -3.635728     -4.402270      4.996286
  C      -2.633920     -5.465382      5.120555
  C      -3.233072     -6.766539      4.623198
  H      -2.322244     -5.586297      6.167238
  H      -1.726553     -5.206108      4.547309
  H      -4.007668     -7.088897      5.331475
  H      -2.479283     -7.567715      4.540005
  H      -7.094460     -7.539405      3.493017
  H      -6.103789     -7.205818      4.919308
  H      -5.235680     -7.406528      1.984667
  H      -4.724027     -8.481887      3.313841
  H      -2.656345     -5.404526      0.366326
  H      -4.284272     -6.065273      0.568062
  H      -1.964838     -6.095682      2.571664
  H      -2.724919     -7.529038      1.826724
  C      -1.710288     -1.490045      0.411961
  C      -2.103961     -2.953533      0.615131
  C      -3.597890     -3.111983      0.958784
  C      -4.478204     -3.013249     -0.307240
  N      -5.898192     -2.886092     -0.059187
  C      -6.459767     -1.815898      0.610428
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  C      -7.800189     -1.901876      1.039222
  C     -10.104042     -5.382646      2.523351
  C      -8.578716     -5.438429      2.457899
  C      -7.860693     -5.204707      3.798807
  C      -8.133078     -3.811863      4.352456
  N      -7.538972     -3.635787      5.664652
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  C      -7.333049     -1.195086      5.440217
  C      -6.922177      0.012227      6.010812
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  C      -6.465921     -1.085189      8.103095
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  C      -1.147990     -2.883943      6.404224
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  C      -3.707424     -3.405043      6.090367
  C      -3.931890     -4.088095      7.447371
  N      -4.972143     -5.092796      7.324182
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  C      -6.910143     -6.248841      8.180467
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  C      -7.322657     -6.375522     10.572125
  C      -6.147849     -5.647314     10.802636
  S      -5.593492     -5.215815     12.426055
  C      -5.354097     -5.215647      9.729589
  H      -0.641233     -1.402855      0.174984
  H      -1.903291     -0.901886      1.321530
  H      -2.267865     -1.025583     -0.414131
  H      -1.513111     -3.378674      1.441810
  H      -1.850264     -3.531836     -0.289026
  H      -3.869066     -2.278230      1.616319
  H      -4.132589     -2.151149     -0.900205
  H      -4.324434     -3.900017     -0.939144
  H      -6.425224     -3.751672     -0.015919
  H      -4.722674     -0.500869      0.527769
  H      -5.801924      1.326077      1.768828
  H      -8.139712      1.132317      2.581230
  H     -10.236258      0.118284      2.838423
  H      -8.375658     -2.799959      0.805029
  H     -10.540623     -5.681596      1.560361
  H     -10.472772     -4.373509      2.751713
  H     -10.493819     -6.067478      3.291716
  H      -8.194322     -4.696132      1.741010
  H      -8.268435     -6.423483      2.075257
  H      -8.265531     -5.927738      4.535081
  H      -9.224283     -3.648717      4.368377
  H      -7.716700     -3.068009      3.661990
  H      -7.838310     -4.321999      6.356656
  H      -7.726654     -1.196755      4.425097
  H      -6.964165      0.921661      5.407618
  H      -6.147140      1.037237      7.750140
  H      -5.656016      0.206703      9.883880
  H      -6.872343     -3.203917      8.160108
  H      -0.757468     -3.513096      5.593209
  H      -1.093568     -3.460790      7.338601
  H      -0.462825     -2.031339      6.510292
  H      -2.843054     -1.630984      6.874871
  H      -2.577070     -1.851567      5.148619
  H      -4.622851     -2.831144      5.895713
  H      -3.006107     -4.544352      7.837643
  H      -4.216060     -3.291940      8.160014
  H      -5.495211     -5.027961      6.451562
  H      -7.198441     -6.501861      7.156870
  H      -8.599024     -7.238010      9.069165
  H      -7.941838     -6.711030     11.404101
  H      -6.619791     -5.788649     13.095570
  H      -4.448325     -4.642544      9.928840
  N      -5.405273     -2.721656      3.485352
  H      -5.668609     -1.729952      3.482250
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.731797234627
  N      -3.874700     -4.336564      1.735210
  C      -3.445800     -5.591212      1.108760
  C      -2.911757     -6.506201      2.195035
  N      -3.882144     -6.516779      3.312875
  C      -5.004835     -7.445305      3.058713
  C      -6.212208     -6.979018      3.841448
  N      -6.421627     -5.536413      3.649263
  Mo     -4.839442     -4.356070      3.449696
  N      -3.636441     -4.401305      4.995860
  C      -2.634780     -5.464540      5.120502
  C      -3.234073     -6.765830      4.623671
  H      -2.323094     -5.585134      6.167205
  H      -1.727403     -5.205555      4.547136
  H      -4.008785     -7.087672      5.332063
  H      -2.480410     -7.567167      4.540890
  H      -7.095331     -7.538746      3.493095
  H      -6.104888     -7.205129      4.919553
  H      -5.236424     -7.406376      1.985064
  H      -4.724956     -8.481549      3.314466
  H      -2.656257     -5.405224      0.366598
  H      -4.284379     -6.065618      0.568041
  H      -1.965374     -6.096101      2.572135
  H      -2.725713     -7.529438      1.827444
  C      -1.709391     -1.490875      0.412169
  C      -2.103430     -2.954274      0.615241
  C      -3.597496     -3.112370      0.958435
  C      -4.477326     -3.013587     -0.307944
  N      -5.897316     -2.886042     -0.060304
  C      -6.458875     -1.816183      0.609659
  C      -5.746463     -0.626533      0.873407
  C      -6.364254      0.410929      1.573642
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  C      -8.401846     -0.857633      1.741535
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  C      -7.799776     -1.901628      1.037103
  C     -10.104513     -5.382790      2.522748
  C      -8.579160     -5.437857      2.457357
  C      -7.861399     -5.204022      3.798363
  C      -8.133879     -3.811176      4.351890
  N      -7.540553     -3.635535      5.664520
  C      -7.282833     -2.379179      6.202634
  C      -7.333593     -1.194913      5.440432
  C      -6.922369      0.012155      6.011312
  C      -6.471353      0.086072      7.326567
  C      -6.467168     -1.085761      8.103589
  S      -5.921546     -1.117877      9.788587
  C      -6.882162     -2.298041      7.550852
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  C      -3.708196     -3.403873      6.089746
  C      -3.933216     -4.086444      7.446879
  N      -4.973454     -5.091191      7.323695
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  C      -7.684638     -6.669704      9.257154
  C      -7.319329     -6.377597     10.573590
  C      -6.144779     -5.648691     10.803163
  S      -5.588776     -5.217872     12.426208
  C      -5.352645     -5.215707      9.729448
  H      -0.640251     -1.403902      0.175511
  H      -1.902553     -0.902671      1.321675
  H      -2.266656     -1.026317     -0.414086
  H      -1.512922     -3.379545      1.442097
  H      -1.849597     -3.532647     -0.288839
  H      -3.868713     -2.278424      1.615733
  H      -4.131212     -2.151687     -0.900922
  H      -4.323562     -3.900506     -0.939630
  H      -6.425277     -3.751147     -0.019457
  H      -4.720797     -0.502226      0.529819
  H      -5.799672      1.323902      1.772387
  H      -8.138199      1.130749      2.582902
  H     -10.235987      0.118258      2.836440
  H      -8.375712     -2.798944      0.801125
  H     -10.540935     -5.681827      1.559712
  H     -10.473681     -4.373838      2.751217
  H     -10.494035     -6.067879      3.291011
  H      -8.195110     -4.695202      1.740657
  H      -8.268344     -6.422685      2.074584
  H      -8.266393     -5.926993      4.534622
  H      -9.225017     -3.647517      4.367079
  H      -7.716733     -3.067458      3.661767
  H      -7.841439     -4.321406      6.356171
  H      -7.726487     -1.196483      4.425019
  H      -6.963530      0.921658      5.408167
  H      -6.147791      1.036609      7.751201
  H      -5.655749      0.205314      9.884233
  H      -6.873854     -3.204492      8.159938
  H      -0.758007     -3.513116      5.594912
  H      -1.095030     -3.458634      7.340051
  H      -0.463550     -2.030315      6.510350
  H      -2.844062     -1.629402      6.873539
  H      -2.576947     -1.851268      5.147623
  H      -4.623439     -2.829787      5.894733
  H      -3.007667     -4.542789      7.837525
  H      -4.217428     -3.290043      8.159265
  H      -5.497818     -5.025260      6.451898
  H      -7.199209     -6.501439      7.158110
  H      -8.596941     -7.239911      9.071607
  H      -7.937248     -6.714130     11.406087
  H      -6.613776     -5.792021     13.096582
  H      -4.447084     -4.642066      9.928021
  N      -5.405821     -2.721262      3.484627
  H      -5.668421     -1.729371      3.480778
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.731798761413
  N      -3.874160     -4.337288      1.734842
  C      -3.445373     -5.592326      1.109157
  C      -2.912091     -6.506925      2.196160
  N      -3.882857     -6.516478      3.313679
  C      -5.005516     -7.445109      3.059860
  C      -6.213076     -6.978437      3.842086
  N      -6.422290     -5.535926      3.649211
  Mo     -4.840150     -4.355715      3.448744
  N      -3.637598     -4.399441      4.995142
  C      -2.636005     -5.462649      5.120706
  C      -3.235254     -6.764371      4.624925
  H      -2.324412     -5.582423      6.167539
  H      -1.728599     -5.204030      4.547201
  H      -4.010207     -7.085277      5.333483
  H      -2.481677     -7.565889      4.543130
  H      -7.096104     -7.538210      3.493566
  H      -6.106188     -7.204142      4.920306
  H      -5.236943     -7.406625      1.986149
  H      -4.725686     -8.481246      3.316103
  H      -2.655336     -5.406930      0.367352
  H      -4.283786     -6.066768      0.568211
  H      -1.965640     -6.097031      2.573300
  H      -2.726357     -7.530446      1.829209
  C      -1.708029     -1.492986      0.410578
  C      -2.102677     -2.956197      0.613811
  C      -3.596706     -3.113577      0.957515
  C      -4.476904     -3.015034     -0.308669
  N      -5.896542     -2.886347     -0.060124
  C      -6.457551     -1.816093      0.609216
  C      -5.744202     -0.626935      0.872961
  C      -6.361131      0.410894      1.573380
  C      -7.674995      0.312994      2.029357
  C      -8.399788     -0.856002      1.741108
  S     -10.076258     -1.092548      2.260065
  C      -7.798618     -1.900374      1.036466
  C     -10.104677     -5.383008      2.521209
  C      -8.579274     -5.437152      2.456127
  C      -7.862125     -5.203261      3.797443
  C      -8.134507     -3.810281      4.350603
  N      -7.542811     -3.635232      5.664152
  C      -7.284780     -2.378989      6.202672
  C      -7.334539     -1.194595      5.440683
  C      -6.923627      0.012257      6.012273
  C      -6.474140      0.085739      7.328070
  C      -6.470770     -1.086324      8.104770
  S      -5.927427     -1.118745      9.790492
  C      -6.885159     -2.298429      7.551216
  C      -1.150782     -2.881302      6.407036
  C      -2.563991     -2.376985      6.114498
  C      -3.709850     -3.401933      6.088843
  C      -3.935632     -4.084284      7.445931
  N      -4.976486     -5.088416      7.322680
  C      -5.728994     -5.506304      8.407691
  C      -6.910412     -6.248295      8.183395
  C      -7.682137     -6.671534      9.260260
  C      -7.313415     -6.381926     10.576292
  C      -6.138612     -5.652910     10.804154
  S      -5.578590     -5.224843     12.426566
  C      -5.349570     -5.217386      9.729183
  H      -0.638935     -1.406485      0.173540
  H      -1.900620     -0.904696      1.320151
  H      -2.265434     -1.028207     -0.415462
  H      -1.512074     -3.381748      1.440450
  H      -1.849443     -3.534709     -0.290354
  H      -3.867436     -2.279216      1.614482
  H      -4.130210     -2.154024     -0.902672
  H      -4.324118     -3.902752     -0.939443
  H      -6.426592     -3.750275     -0.023233
  H      -4.718589     -0.503211      0.529000
  H      -5.795843      1.323445      1.772079
  H      -8.134392      1.131876      2.583085
  H     -10.233771      0.121897      2.834544
  H      -8.375293     -2.797121      0.800109
  H     -10.540784     -5.682333      1.558118
  H     -10.474402     -4.374240      2.749579
  H     -10.493988     -6.068276      3.289420
  H      -8.195572     -4.693907      1.739843
  H      -8.267681     -6.421627      2.073104
  H      -8.267539     -5.926055      4.533662
  H      -9.225484     -3.645528      4.364245
  H      -7.715732     -3.066974      3.661027
  H      -7.846477     -4.320536      6.355172
  H      -7.726101     -1.196087      4.424754
  H      -6.963825      0.921929      5.409316
  H      -6.151392      1.036168      7.753572
  H      -5.660947      0.204284      9.886433
  H      -6.877134     -3.205237      8.159778
  H      -0.759340     -3.513421      5.598798
  H      -1.098308     -3.455075      7.343419
  H      -0.465202     -2.028816      6.511408
  H      -2.846342     -1.626897      6.871925
  H      -2.576880     -1.850627      5.146591
  H      -4.624853     -2.827593      5.893320
  H      -3.010538     -4.541521      7.836610
  H      -4.219164     -3.287699      8.158412
  H      -5.503572     -5.019585      6.452695
  H      -7.202448     -6.498846      7.160271
  H      -8.594724     -7.241725      9.076051
  H      -7.928964     -6.720370     11.409771
  H      -6.601483     -5.800872     13.098544
  H      -4.443846     -4.643594      9.926524
  N      -5.406888     -2.720996      3.483036
  H      -5.668124     -1.728747      3.477604
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.731799431232
  N      -3.873681     -4.337710      1.734875
  C      -3.445011     -5.593071      1.109774
  C      -2.912178     -6.507342      2.197267
  N      -3.883141     -6.516132      3.314611
  C      -5.005921     -7.444706      3.061098
  C      -6.213483     -6.977586      3.843090
  N      -6.422476     -5.535116      3.649658
  Mo     -4.840167     -4.355248      3.448559
  N      -3.637800     -4.398206      4.995058
  C      -2.636380     -5.461494      5.121242
  C      -3.235791     -6.763394      4.626108
  H      -2.324887     -5.580782      6.168161
  H      -1.728911     -5.203253      4.547664
  H      -4.010924     -7.083666      5.334749
  H      -2.482369     -7.565115      4.544898
  H      -7.096551     -7.537385      3.494710
  H      -6.106695     -7.202894      4.921403
  H      -5.237307     -7.406566      1.987361
  H      -4.726227     -8.480790      3.317722
  H      -2.654731     -5.408142      0.368115
  H      -4.283377     -6.067565      0.568798
  H      -1.965666     -6.097569      2.574379
  H      -2.726686     -7.531076      1.830793
  C      -1.707876     -1.493856      0.409110
  C      -2.102416     -2.957028      0.612841
  C      -3.596363     -3.114366      0.956937
  C      -4.476846     -3.016442     -0.309120
  N      -5.896335     -2.887596     -0.060126
  C      -6.457512     -1.817135      0.608542
  C      -5.744022     -0.628067      0.872429
  C      -6.361004      0.409953      1.572527
  C      -7.675039      0.312360      2.028074
  C      -8.399903     -0.856578      1.739787
  S     -10.076454     -1.092948      2.258548
  C      -7.798725     -1.901127      1.035437
  C     -10.104733     -5.381471      2.521393
  C      -8.579328     -5.435845      2.456384
  C      -7.862261     -5.202142      3.797792
  C      -8.134331     -3.809059      4.350874
  N      -7.543231     -3.634239      5.664786
  C      -7.284751     -2.377982      6.203303
  C      -7.333797     -1.193598      5.441272
  C      -6.922523      0.013084      6.012924
  C      -6.473407      0.086390      7.328844
  C      -6.470984     -1.085585      8.105682
  S      -5.928184     -1.118131      9.791575
  C      -6.885694     -2.297544      7.552024
  C      -1.151753     -2.879673      6.408759
  C      -2.564775     -2.375619      6.114899
  C      -3.710541     -3.400694      6.088686
  C      -3.936844     -4.083142      7.445599
  N      -4.977599     -5.087237      7.321665
  C      -5.729143     -5.506712      8.406748
  C      -6.910237     -6.249188      8.182385
  C      -7.680947     -6.674215      9.259262
  C      -7.311461     -6.386032     10.575403
  C      -6.137003     -5.656486     10.803334
  S      -5.576110     -5.230082     12.425895
  C      -5.349042     -5.219051      9.728339
  H      -0.638852     -1.407370      0.171749
  H      -1.900246     -0.905333      1.318579
  H      -2.265545     -1.029335     -0.416895
  H      -1.511594     -3.382331      1.439451
  H      -1.849378     -3.535773     -0.291226
  H      -3.867012     -2.279707      1.613558
  H      -4.130135     -2.155883     -0.903802
  H      -4.324317     -3.904633     -0.939279
  H      -6.427133     -3.751097     -0.025068
  H      -4.718278     -0.504562      0.528795
  H      -5.795606      1.322414      1.771312
  H      -8.134452      1.131342      2.581632
  H     -10.233686      0.121270      2.833585
  H      -8.375458     -2.797858      0.799167
  H     -10.540868     -5.680801      1.558318
  H     -10.474307     -4.372626      2.749679
  H     -10.494171     -6.066616      3.289650
  H      -8.195484     -4.692587      1.740194
  H      -8.267842     -6.420315      2.073263
  H      -8.267894     -5.924839      4.533977
  H      -9.225235     -3.643810      4.363966
  H      -7.714862     -3.065940      3.661506
  H      -7.848213     -4.319114      6.355678
  H      -7.725083     -1.194954      4.425253
  H      -6.962149      0.922765      5.409945
  H      -6.150236      1.036678      7.754357
  H      -5.661148      0.204785      9.887535
  H      -6.878534     -3.204301      8.160660
  H      -0.759710     -3.512353      5.601253
  H      -1.099922     -3.452772      7.345587
  H      -0.466283     -2.027086      6.513011
  H      -2.847790     -1.625328      6.871874
  H      -2.576955     -1.849567      5.146816
  H      -4.625500     -2.826422      5.892729
  H      -3.011965     -4.540597      7.836549
  H      -4.220512     -3.286635      8.158144
  H      -5.505697     -5.016721      6.452416
  H      -7.202810     -6.498733      7.159165
  H      -8.593287     -7.244785      9.074997
  H      -7.926178     -6.725944     11.408903
  H      -6.598210     -5.807521     13.097871
  H      -4.443642     -4.644752      9.925757
  N      -5.406774     -2.720458      3.482174
  H      -5.667010     -1.727963      3.475548
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.731800076594
  N      -3.873287     -4.338107      1.735034
  C      -3.444446     -5.593562      1.110263
  C      -2.912183     -6.507722      2.198123
  N      -3.883613     -6.516189      3.315055
  C      -5.006349     -7.444761      3.061267
  C      -6.214192     -6.977506      3.842773
  N      -6.423078     -5.535042      3.649052
  Mo     -4.840591     -4.355353      3.448301
  N      -3.638734     -4.397908      4.995173
  C      -2.637458     -5.461236      5.121932
  C      -3.236813     -6.763201      4.626892
  H      -2.326304     -5.580305      6.168975
  H      -1.729803     -5.203159      4.548562
  H      -4.012269     -7.083172      5.335309
  H      -2.483449     -7.565025      4.546175
  H      -7.097135     -7.537362      3.494167
  H      -6.107775     -7.202638      4.921153
  H      -5.237361     -7.406740      1.987445
  H      -4.726757     -8.480816      3.318123
  H      -2.653799     -5.408797      0.368956
  H      -4.282601     -6.068061      0.568957
  H      -1.965768     -6.098026      2.575559
  H      -2.726693     -7.531546      1.831904
  C      -1.707400     -1.494574      0.408655
  C      -2.102043     -2.957707      0.612480
  C      -3.595925     -3.114875      0.956926
  C      -4.476710     -3.016957     -0.308941
  N      -5.896015     -2.887547     -0.059460
  C      -6.456964     -1.816523      0.608368
  C      -5.743104     -0.627536      0.871690
  C      -6.359808      0.411080      1.571172
  C      -7.673884      0.314153      2.026723
  C      -8.399011     -0.854810      1.739205
  S     -10.075532     -1.090542      2.258377
  C      -7.798184     -1.899898      1.035381
  C     -10.104882     -5.381101      2.519320
  C      -8.579446     -5.435546      2.454981
  C      -7.862898     -5.201999      3.796719
  C      -8.135045     -3.808895      4.349714
  N      -7.544440     -3.634147      5.663894
  C      -7.286007     -2.377815      6.202476
  C      -7.334589     -1.193420      5.440459
  C      -6.923290      0.013164      6.012253
  C      -6.474485      0.086326      7.328280
  C      -6.472712     -1.085599      8.105183
  S      -5.930189     -1.118334      9.791161
  C      -6.887626     -2.297449      7.551399
  C      -1.152875     -2.879323      6.409883
  C      -2.565593     -2.375206      6.114665
  C      -3.711580     -3.400049      6.088483
  C      -3.938225     -4.081991      7.445598
  N      -4.979586     -5.085438      7.322106
  C      -5.729075     -5.506433      8.408035
  C      -6.910046     -6.249461      8.184841
  C      -7.678701     -6.676139      9.262523
  C      -7.307174     -6.389229     10.578378
  C      -6.132849     -5.659117     10.805153
  S      -5.569465     -5.234265     12.427269
  C      -5.347039     -5.219868      9.729321
  H      -0.638448     -1.408205      0.170922
  H      -1.899388     -0.906049      1.318203
  H      -2.265299     -1.029977     -0.417149
  H      -1.511068     -3.383076      1.438948
  H      -1.849288     -3.536474     -0.291651
  H      -3.866339     -2.280129      1.613525
  H      -4.129772     -2.156769     -0.904058
  H      -4.324739     -3.905484     -0.938760
  H      -6.427514     -3.750623     -0.025241
  H      -4.717301     -0.504558      0.528054
  H      -5.794133      1.323477      1.769458
  H      -8.133084      1.133591      2.579778
  H     -10.232054      0.123669      2.833618
  H      -8.375147     -2.796687      0.799901
  H     -10.540614     -5.680272      1.556014
  H     -10.474529     -4.372273      2.747584
  H     -10.494680     -6.066336      3.287314
  H      -8.195239     -4.692289      1.738991
  H      -8.267868     -6.419996      2.071876
  H      -8.268858     -5.924706      4.532695
  H      -9.225950     -3.643623      4.362395
  H      -7.715211     -3.065777      3.660566
  H      -7.850346     -4.318667      6.354739
  H      -7.725625     -1.194617      4.424333
  H      -6.962687      0.922893      5.409332
  H      -6.150888      1.036505      7.753734
  H      -5.664439      0.204794      9.887791
  H      -6.881339     -3.204128      8.160167
  H      -0.760509     -3.512988      5.603304
  H      -1.101737     -3.451397      7.347371
  H      -0.467257     -2.026791      6.513612
  H      -2.848896     -1.624286      6.870904
  H      -2.577008     -1.849863      5.146185
  H      -4.626342     -2.825632      5.892029
  H      -3.013638     -4.540047      7.836542
  H      -4.221108     -3.285058      8.158022
  H      -5.509451     -5.013283      6.454032
  H      -7.204109     -6.498188      7.161853
  H      -8.590959     -7.247128      9.079145
  H      -7.920231     -6.730543     11.412528
  H      -6.590380     -5.812609     13.100269
  H      -4.441838     -4.644932      9.925840
  N      -5.407108     -2.720501      3.481362
  H      -5.666216     -1.727724      3.473340
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658517-OaIH/orca E -7129.731800112087
  N      -3.873074     -4.338234      1.735388
  C      -3.444111     -5.593691      1.110715
  C      -2.911967     -6.507790      2.198676
  N      -3.883522     -6.516216      3.315492
  C      -5.006257     -7.444781      3.061606
  C      -6.214207     -6.977487      3.842952
  N      -6.423111     -5.535040      3.649099
  Mo     -4.840547     -4.355436      3.448589
  N      -3.638848     -4.397962      4.995594
  C      -2.637563     -5.461242      5.122506
  C      -3.236850     -6.763218      4.627409
  H      -2.326505     -5.580257      6.169582
  H      -1.729858     -5.203175      4.549206
  H      -4.012393     -7.083234      5.335710
  H      -2.483462     -7.565027      4.546772
  H      -7.097107     -7.537406      3.494336
  H      -6.107852     -7.202514      4.921363
  H      -5.237126     -7.406801      1.987754
  H      -4.726712     -8.480828      3.318544
  H      -2.653376     -5.408924      0.369502
  H      -4.282182     -6.068239      0.569318
  H      -1.965598     -6.098083      2.576217
  H      -2.726433     -7.531629      1.832519
  C      -1.707805     -1.494640      0.408072
  C      -2.102258     -2.957790      0.612141
  C      -3.596008     -3.115047      0.957070
  C      -4.477215     -3.017301     -0.308541
  N      -5.896415     -2.887905     -0.058597
  C      -6.457403     -1.816621      0.608731
  C      -5.743528     -0.627571      0.871740
  C      -6.360292      0.411355      1.570726
  C      -7.674448      0.314688      2.026093
  C      -8.399509     -0.854432      1.739050
  S     -10.076186     -1.089846      2.257931
  C      -7.798647     -1.899824      1.035713
  C     -10.104557     -5.379895      2.518220
  C      -8.579126     -5.435358      2.454595
  C      -7.862925     -5.201955      3.796546
  C      -8.135128     -3.808859      4.349609
  N      -7.544518     -3.634085      5.663776
  C      -7.285845     -2.377760      6.202285
  C      -7.334023     -1.193401      5.440195
  C      -6.922331      0.013089      6.011903
  C      -6.473417      0.086180      7.327901
  C      -6.472122     -1.085656      8.104917
  S      -5.929415     -1.118512      9.790829
  C      -6.887603     -2.297384      7.551254
  C      -1.153193     -2.879004      6.410107
  C      -2.565914     -2.374964      6.114789
  C      -3.711802     -3.399915      6.088730
  C      -3.938406     -4.081692      7.445901
  N      -4.979759     -5.085066      7.322390
  C      -5.728983     -5.506567      8.408254
  C      -6.909695     -6.249979      8.184948
  C      -7.678154     -6.677156      9.262567
  C      -7.306644     -6.390438     10.578475
  C      -6.132573     -5.659952     10.805363
  S      -5.569218     -5.235370     12.427560
  C      -5.347013     -5.220115      9.729593
  H      -0.638955     -1.408211      0.169900
  H      -1.899467     -0.906070      1.317659
  H      -2.266059     -1.030141     -0.417548
  H      -1.510978     -3.383027      1.438460
  H      -1.849735     -3.536610     -0.292020
  H      -3.866290     -2.280275      1.613683
  H      -4.130456     -2.157185     -0.903872
  H      -4.325439     -3.905922     -0.938274
  H      -6.428035     -3.750898     -0.024560
  H      -4.717661     -0.504798      0.528239
  H      -5.794612      1.323815      1.768703
  H      -8.133753      1.134450      2.578579
  H     -10.232842      0.124727      2.832373
  H      -8.375630     -2.796739      0.800772
  H     -10.540036     -5.679072      1.554800
  H     -10.473685     -4.370769      2.746013
  H     -10.495126     -6.064655      3.286246
  H      -8.194063     -4.692593      1.738561
  H      -8.268052     -6.420118      2.071858
  H      -8.269122     -5.924702      4.532331
  H      -9.226070     -3.643839      4.362369
  H      -7.715403     -3.065621      3.660537
  H      -7.850291     -4.318542      6.354738
  H      -7.725153     -1.194408      4.424109
  H      -6.961553      0.922799      5.408943
  H      -6.149174      1.036256      7.753100
  H      -5.664726      0.204801      9.887901
  H      -6.881954     -3.203936      8.160222
  H      -0.760795     -3.512785      5.603626
  H      -1.102082     -3.450946      7.347673
  H      -0.467595     -2.026446      6.513740
  H      -2.849255     -1.623956      6.870926
  H      -2.577337     -1.849753      5.146238
  H      -4.626622     -2.825653      5.892121
  H      -3.013844     -4.539745      7.836915
  H      -4.221218     -3.284647      8.158248
  H      -5.509632     -5.012817      6.454340
  H      -7.203721     -6.498611      7.161922
  H      -8.590222     -7.248417      9.079097
  H      -7.919518     -6.732194     11.412579
  H      -6.590081     -5.813936     13.100450
  H      -4.442085     -4.644755      9.926145
  N      -5.406944     -2.720533      3.481274
  H      -5.665482     -1.727621      3.472435
