107
Coordinates from ORCA-job /scratch/magstr/orcajob__5658515-4aaE/orca E -7240.187462933423
  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      -5.384588     -3.459923      5.988564
  H      -5.807991     -2.599376      4.673550
  H      -4.370030     -2.337058      5.389464
  N      -2.800511     -2.978417      4.425715
  N      -1.914069     -1.933520      4.798288
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5658515-4aaE/orca E -7240.211242494674
  N      -2.906780     -3.780772      2.231522
  C      -2.520442     -4.902040      1.378128
  C      -2.257944     -6.154319      2.209616
  N      -3.387197     -6.434716      3.105524
  C      -4.535003     -7.030264      2.429238
  C      -5.855066     -6.747221      3.179919
  N      -5.901571     -5.453224      3.852023
  Mo     -4.070763     -4.536820      3.832852
  N      -2.888289     -5.010470      5.356674
  C      -2.258974     -6.328305      5.322032
  C      -2.949715     -7.223202      4.271295
  H      -2.336586     -6.833053      6.295767
  H      -1.186816     -6.237574      5.088912
  H      -3.854240     -7.654850      4.714093
  H      -2.282765     -8.044043      3.977725
  H      -6.671145     -6.827896      2.433782
  H      -6.031145     -7.560867      3.908091
  H      -4.606714     -6.575923      1.435482
  H      -4.425112     -8.115480      2.296995
  H      -1.610647     -4.672699      0.805144
  H      -3.319580     -5.113714      0.639715
  H      -1.394633     -5.941572      2.844963
  H      -2.032250     -7.005073      1.554004
  C      -3.746609     -1.127711     -0.397098
  C      -3.285857     -2.492186      0.101476
  C      -3.748713     -2.818529      1.540089
  C      -5.168528     -3.394629      1.693208
  N      -6.201434     -2.535667      2.227357
  C      -6.583687     -1.283292      1.658247
  C      -7.297699     -1.190022      0.458992
  C      -7.714552      0.040352     -0.027111
  C      -7.443100      1.202977      0.673723
  C      -6.746611      1.124864      1.880044
  S      -6.373463      2.544535      2.840057
  C      -6.314524     -0.111250      2.364437
  C      -9.368387     -5.984141      5.610495
  C      -8.109290     -6.357982      4.824712
  C      -7.154515     -5.188623      4.634379
  C      -7.711432     -3.875258      4.151890
  N      -7.601285     -2.987124      5.323241
  C      -7.773859     -1.614013      5.359089
  C      -8.584549     -0.879167      4.488206
  C      -8.843049      0.463462      4.711839
  C      -8.284182      1.129558      5.787618
  C      -7.432688      0.431006      6.646046
  S      -6.644700      1.202018      8.012087
  C      -7.176689     -0.918487      6.427139
  C      -1.198860     -5.336616      8.422139
  C      -1.314175     -4.308622      7.295491
  C      -2.661841     -4.169607      6.529419
  C      -3.887455     -4.260825      7.499223
  N      -5.143580     -4.396958      6.744522
  C      -5.977108     -5.428933      7.311202
  C      -5.688327     -6.785133      7.140147
  C      -6.404943     -7.746172      7.845084
  C      -7.413101     -7.379567      8.717784
  C      -7.730846     -6.026315      8.877559
  S      -8.993385     -5.455620      9.928078
  C      -7.006477     -5.067600      8.169503
  H      -3.351712     -0.947570     -1.394456
  H      -3.393248     -0.339900      0.269815
  H      -4.835338     -1.076417     -0.435534
  H      -2.192718     -2.514520      0.096953
  H      -3.642954     -3.265486     -0.586023
  H      -3.662613     -1.861112      2.093503
  H      -5.529029     -3.879399      0.749121
  H      -4.952005     -4.185282      2.442233
  H      -5.795725     -2.260885      3.116012
  H      -7.509043     -2.110967     -0.074494
  H      -8.255545      0.087110     -0.961831
  H      -7.770894      2.159162      0.289785
  H      -6.904466      3.456695      2.015168
  H      -5.768260     -0.149195      3.311651
  H      -9.952485     -6.873773      5.829067
  H      -9.990433     -5.295320      5.038552
  H      -9.101672     -5.488595      6.549448
  H      -8.424561     -6.764479      3.853279
  H      -7.597943     -7.166749      5.358673
  H      -6.736593     -4.865083      5.572933
  H      -8.691756     -3.820349      3.637161
  H      -6.855585     -3.618556      3.543157
  H      -6.696931     -3.321034      5.558500
  H      -9.027216     -1.397008      3.640040
  H      -9.499177      0.990997      4.034393
  H      -8.505887      2.172337      5.960983
  H      -7.268047      2.384047      7.938918
  H      -6.529705     -1.476129      7.123148
  H      -1.440548     -6.345835      8.095738
  H      -1.841845     -5.071607      9.259418
  H      -0.169225     -5.332622      8.775956
  H      -1.109985     -3.322172      7.720836
  H      -0.544710     -4.492642      6.540493
  H      -2.658268     -3.128994      6.143155
  H      -3.757344     -5.122833      8.163109
  H      -3.923839     -3.355808      8.131619
  H      -4.684710     -4.756249      5.866591
  H      -4.876370     -7.066033      6.473774
  H      -6.157083     -8.791431      7.722585
  H      -7.943549     -8.135807      9.280081
  H      -9.317436     -6.637015     10.472694
  H      -7.215859     -4.005943      8.294195
  N      -4.898865     -2.981478      5.039018
  H      -5.270718     -3.352741      5.941248
  H      -5.669918     -2.495400      4.581528
  H      -4.226838     -2.261190      5.281118
  N      -2.688353     -2.987607      4.317592
  N      -1.809507     -1.995810      4.614290
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5658515-4aaE/orca E -7240.295044498680
  N      -2.894580     -3.774246      2.207219
  C      -2.514485     -4.908768      1.360662
  C      -2.255504     -6.155320      2.204623
  N      -3.388598     -6.429712      3.108715
  C      -4.542262     -7.032825      2.436385
  C      -5.860833     -6.750639      3.189621
  N      -5.907160     -5.449502      3.857125
  Mo     -4.063011     -4.519054      3.824304
  N      -2.880137     -5.003658      5.373207
  C      -2.261947     -6.329136      5.338234
  C      -2.954566     -7.215830      4.284886
  H      -2.347707     -6.838577      6.310791
  H      -1.185870     -6.246351      5.110094
  H      -3.864209     -7.640797      4.726615
  H      -2.291165     -8.042846      3.992919
  H      -6.678172     -6.839843      2.445518
  H      -6.031720     -7.562236      3.922639
  H      -4.613448     -6.585507      1.438475
  H      -4.430556     -8.121406      2.311874
  H      -1.601408     -4.690472      0.784084
  H      -3.313921     -5.125931      0.622854
  H      -1.388899     -5.940975      2.838753
  H      -2.033195     -7.014793      1.555258
  C      -3.700700     -1.131548     -0.449685
  C      -3.254255     -2.497764      0.064696
  C      -3.727851     -2.806655      1.503895
  C      -5.157113     -3.367034      1.652160
  N      -6.198165     -2.488918      2.159127
  C      -6.578194     -1.247861      1.575528
  C      -7.260668     -1.178127      0.353893
  C      -7.680964      0.045055     -0.153545
  C      -7.445925      1.221292      0.547687
  C      -6.783482      1.162442      1.777952
  S      -6.460532      2.595814      2.742333
  C      -6.347990     -0.066546      2.283191
  C      -9.380712     -6.020811      5.621261
  C      -8.119352     -6.378310      4.825570
  C      -7.176665     -5.197577      4.644361
  C      -7.756679     -3.871950      4.174887
  N      -7.653273     -2.990052      5.367243
  C      -7.817164     -1.619232      5.418430
  C      -8.600470     -0.854575      4.546254
  C      -8.836800      0.490431      4.799339
  C      -8.280132      1.123369      5.902668
  C      -7.452041      0.388240      6.760441
  S      -6.666107      1.113562      8.157340
  C      -7.218206     -0.962409      6.514424
  C      -1.196657     -5.374429      8.438117
  C      -1.301257     -4.330905      7.322727
  C      -2.645591     -4.172372      6.560730
  C      -3.872808     -4.263080      7.532090
  N      -5.132523     -4.389536      6.774724
  C      -5.962804     -5.423686      7.339886
  C      -5.670638     -6.780123      7.158625
  C      -6.388461     -7.746992      7.857817
  C      -7.401748     -7.384391      8.733506
  C      -7.719286     -6.029467      8.900684
  S      -8.989888     -5.460753      9.949477
  C      -6.992863     -5.064310      8.200992
  H      -3.298331     -0.961386     -1.449915
  H      -3.343341     -0.337899      0.212913
  H      -4.791097     -1.067804     -0.495875
  H      -2.158962     -2.531176      0.066606
  H      -3.614892     -3.276138     -0.619185
  H      -3.638074     -1.845978      2.050136
  H      -5.515476     -3.855225      0.715234
  H      -4.950316     -4.157599      2.406087
  H      -5.816431     -2.196472      3.054593
  H      -7.444488     -2.107088     -0.180700
  H      -8.197131      0.077748     -1.106790
  H      -7.777427      2.172541      0.145942
  H      -6.981350      3.494230      1.890945
  H      -5.836089     -0.095390      3.248305
  H      -9.959279     -6.920063      5.834076
  H     -10.012947     -5.329699      5.057548
  H      -9.118019     -5.531704      6.569167
  H      -8.430769     -6.778172      3.849250
  H      -7.599101     -7.188508      5.351338
  H      -6.765165     -4.884235      5.591260
  H      -8.733318     -3.814544      3.662415
  H      -6.910900     -3.601389      3.561840
  H      -6.744152     -3.302193      5.628443
  H      -9.038858     -1.344113      3.677915
  H      -9.473060      1.049053      4.122158
  H      -8.484688      2.169665      6.096370
  H      -7.268680      2.311000      8.098077
  H      -6.588247     -1.552429      7.204655
  H      -1.448695     -6.380639      8.099043
  H      -1.839475     -5.114566      9.281346
  H      -0.164867     -5.387313      8.796291
  H      -1.087271     -3.348854      7.759527
  H      -0.531220     -4.513221      6.564795
  H      -2.633014     -3.136650      6.190137
  H      -3.749547     -5.133667      8.188181
  H      -3.909282     -3.362323      8.173118
  H      -4.677543     -4.741167      5.882445
  H      -4.858397     -7.056888      6.489264
  H      -6.140346     -8.794999      7.728273
  H      -7.936639     -8.145709      9.291067
  H      -9.317359     -6.648478     10.485755
  H      -7.204669     -4.002675      8.331374
  N      -4.889929     -2.926601      5.026682
  H      -5.265494     -3.315074      5.954369
  H      -5.659199     -2.432338      4.575191
  H      -4.213112     -2.203585      5.264150
  N      -2.662807     -2.963319      4.274709
  N      -1.848614     -2.041389      4.516800
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5658515-4aaE/orca E -7240.351070700295
  N      -2.885063     -3.774136      2.179781
  C      -2.514722     -4.921026      1.339521
  C      -2.256860     -6.160511      2.195633
  N      -3.391226     -6.427514      3.109260
  C      -4.550706     -7.035313      2.440099
  C      -5.866081     -6.753821      3.195025
  N      -5.908737     -5.447264      3.859100
  Mo     -4.055417     -4.506166      3.817387
  N      -2.870000     -5.001867      5.386917
  C      -2.262868     -6.334302      5.349808
  C      -2.959697     -7.211746      4.294172
  H      -2.354771     -6.849124      6.320630
  H      -1.183574     -6.260366      5.124417
  H      -3.873810     -7.630068      4.735133
  H      -2.301224     -8.044783      4.001600
  H      -6.684135     -6.848756      2.452414
  H      -6.033280     -7.565006      3.930508
  H      -4.620069     -6.592600      1.439343
  H      -4.437861     -8.126598      2.320881
  H      -1.600280     -4.714594      0.756832
  H      -3.316127     -5.145176      0.604774
  H      -1.385768     -5.946227      2.826747
  H      -2.040290     -7.028601      1.552426
  C      -3.671212     -1.136296     -0.492869
  C      -3.236604     -2.504771      0.030657
  C      -3.713023     -2.799983      1.470851
  C      -5.150091     -3.344394      1.618072
  N      -6.194139     -2.454809      2.112448
  C      -6.568757     -1.223495      1.517588
  C      -7.223501     -1.169893      0.277772
  C      -7.642860      0.049095     -0.244437
  C      -7.436989      1.234077      0.458481
  C      -6.804953      1.187751      1.707769
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  N      -5.118054     -4.380925      6.802431
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  H      -2.139758     -2.549012      0.033179
  H      -3.603805     -3.285867     -0.649686
  H      -3.617079     -1.837996      2.013469
  H      -5.509373     -3.833595      0.687349
  H      -4.953570     -4.133463      2.371056
  H      -5.830487     -2.153415      3.014550
  H      -7.386476     -2.102943     -0.259788
  H      -8.137239      0.073913     -1.212406
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  H      -7.032680      3.518702      1.805267
  H      -5.886200     -0.060534      3.209522
  H      -9.960215     -6.949490      5.823734
  H     -10.021031     -5.347439      5.063847
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  H      -8.429843     -6.781358      3.833309
  H      -7.596512     -7.204725      5.331796
  H      -6.781559     -4.903525      5.603467
  H      -8.757929     -3.807389      3.678558
  H      -6.947383     -3.572903      3.571669
  H      -6.784991     -3.293331      5.700460
  H      -9.037566     -1.311925      3.703650
  H      -9.446395      1.083839      4.186439
  H      -8.480905      2.154963      6.203808
  H      -7.300244      2.243199      8.231264
  H      -6.653563     -1.620994      7.283831
  H      -1.447958     -6.400244      8.104183
  H      -1.827562     -5.137143      9.297140
  H      -0.153196     -5.420627      8.807812
  H      -1.063765     -3.363884      7.779646
  H      -0.517755     -4.527830      6.576909
  H      -2.612339     -3.140321      6.218321
  H      -3.736633     -5.131809      8.213398
  H      -3.895232     -3.357278      8.201888
  H      -4.668041     -4.730122      5.900315
  H      -4.841486     -7.047837      6.515004
  H      -6.133082     -8.789624      7.745239
  H      -7.942569     -8.138442      9.301747
  H      -9.333551     -6.640472     10.486622
  H      -7.194242     -3.988588      8.358600
  N      -4.879565     -2.874376      5.018926
  H      -5.253361     -3.278281      5.962314
  H      -5.648230     -2.370304      4.573984
  H      -4.201076     -2.149982      5.252938
  N      -2.632225     -2.944058      4.238048
  N      -1.888334     -2.102155      4.440507
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5658515-4aaE/orca E -7240.384793025315
  N      -2.886177     -3.764933      2.153406
  C      -2.528066     -4.921314      1.317061
  C      -2.266643     -6.153025      2.182847
  N      -3.399727     -6.416314      3.106084
  C      -4.562814     -7.028372      2.436822
  C      -5.873285     -6.756256      3.196769
  N      -5.911439     -5.447706      3.863873
  Mo     -4.057102     -4.488152      3.817506
  N      -2.871666     -5.001265      5.405695
  C      -2.273232     -6.339078      5.358757
  C      -2.970914     -7.202654      4.295875
  H      -2.371434     -6.866022      6.324109
  H      -1.190447     -6.271920      5.138182
  H      -3.889312     -7.618215      4.732431
  H      -2.316710     -8.039724      3.998572
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  H      -6.031898     -7.572241      3.929927
  H      -4.630864     -6.585445      1.435467
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  H      -1.613322     -4.726216      0.727035
  H      -3.331321     -5.154117      0.585763
  H      -1.390246     -5.940632      2.810228
  H      -2.055852     -7.028630      1.544539
  C      -3.642368     -1.120374     -0.528363
  C      -3.224493     -2.493267      0.001922
  C      -3.706568     -2.778158      1.441532
  C      -5.153493     -3.301898      1.583644
  N      -6.199624     -2.400452      2.060174
  C      -6.558487     -1.183466      1.436609
  C      -7.164174     -1.158136      0.169086
  C      -7.573596      0.050742     -0.386230
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  C      -8.121727     -6.403223      4.810564
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  C      -7.810928     -3.860831      4.238221
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  C      -8.619988     -0.856801      4.651390
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  H      -3.234219     -0.961035     -1.534378
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  H      -3.604359     -1.816739      1.984421
  H      -5.512194     -3.790094      0.657348
  H      -4.969148     -4.096283      2.335688
  H      -5.861804     -2.090426      2.970883
  H      -7.297054     -2.099645     -0.364725
  H      -8.029222      0.058101     -1.375957
  H      -7.736867      2.190167     -0.135112
  H      -7.093610      3.559165      1.638635
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  H      -9.953894     -6.973855      5.830995
  H     -10.016127     -5.353881      5.103281
  H      -9.101304     -5.608549      6.600563
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  H      -8.785105     -3.804204      3.736784
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  H      -6.818818     -3.289153      5.808938
  H      -9.038825     -1.312803      3.754051
  H      -9.420078      1.091275      4.240722
  H      -8.466055      2.145065      6.274187
  H      -7.305585      2.216696      8.313217
  H      -6.697104     -1.661635      7.371780
  H      -1.450139     -6.443756      8.092576
  H      -1.813852     -5.197111      9.310011
  H      -0.142481     -5.484563      8.805883
  H      -1.047214     -3.400322      7.810707
  H      -0.516271     -4.551174      6.586756
  H      -2.608216     -3.151293      6.267333
  H      -3.725064     -5.151151      8.252019
  H      -3.887084     -3.373890      8.251868
  H      -4.666540     -4.730549      5.937677
  H      -4.821926     -7.056220      6.557070
  H      -6.117615     -8.808366      7.773039
  H      -7.940698     -8.166933      9.324260
  H      -9.347147     -6.682732     10.503653
  H      -7.188402     -4.005181      8.415271
  N      -4.883572     -2.817408      5.029686
  H      -5.249660     -3.243474      5.984428
  H      -5.653611     -2.300462      4.598952
  H      -4.205346     -2.090602      5.264615
  N      -2.601180     -2.914645      4.207262
  N      -1.866948     -2.088478      4.387791
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5658515-4aaE/orca E -7240.410022392844
  N      -2.889955     -3.760686      2.128455
  C      -2.545351     -4.924007      1.295901
  C      -2.278253     -6.147731      2.169875
  N      -3.408702     -6.407436      3.102138
  C      -4.573721     -7.021734      2.431335
  C      -5.878409     -6.759565      3.195940
  N      -5.910162     -5.451495      3.867290
  Mo     -4.059074     -4.474642      3.820734
  N      -2.874025     -5.005353      5.421605
  C      -2.284045     -6.346950      5.363963
  C      -2.982963     -7.197294      4.294724
  H      -2.386524     -6.885695      6.323401
  H      -1.198879     -6.285978      5.146792
  H      -3.905115     -7.610981      4.726376
  H      -2.333630     -8.037605      3.991519
  H      -6.701131     -6.861930      2.460017
  H      -6.029580     -7.580700      3.925283
  H      -4.639479     -6.576443      1.430562
  H      -4.447890     -8.114864      2.308814
  H      -1.631680     -4.739715      0.698021
  H      -3.350733     -5.165244      0.568852
  H      -1.396581     -5.938338      2.792768
  H      -2.073906     -7.030152      1.536655
  C      -3.605492     -1.104026     -0.556511
  C      -3.210746     -2.482384     -0.020894
  C      -3.700985     -2.759595      1.416626
  C      -5.159227     -3.260404      1.553283
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  C      -6.862602      1.265564      1.490530
  S      -6.694125      2.739200      2.452977
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  C      -7.820348     -3.859190      4.283288
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  C      -7.522823      0.286531      7.007147
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  N      -5.098141     -4.403123      6.898037
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  C      -6.362644     -7.765470      7.951844
  C      -7.398047     -7.406724      8.814377
  C      -7.710198     -6.050065      8.993483
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  H      -3.190639     -0.949376     -1.562565
  H      -3.223567     -0.308390      0.100091
  H      -4.695744     -0.989728     -0.616518
  H      -2.112550     -2.557539     -0.011966
  H      -3.591933     -3.261194     -0.700947
  H      -3.590966     -1.801287      1.963165
  H      -5.518979     -3.745907      0.629187
  H      -4.988559     -4.061492      2.301070
  H      -5.888059     -2.038773      2.939816
  H      -7.225870     -2.090629     -0.445142
  H      -7.947286      0.050211     -1.497996
  H      -7.721833      2.198574     -0.269739
  H      -7.158208      3.591902      1.512991
  H      -6.044149      0.065790      3.093937
  H      -9.952188     -6.992305      5.822327
  H     -10.007529     -5.354572      5.131787
  H      -9.083221     -5.652627      6.616163
  H      -8.446243     -6.760014      3.804035
  H      -7.593161     -7.253760      5.270986
  H      -6.782386     -4.988900      5.649781
  H      -8.795792     -3.803957      3.788482
  H      -7.024350     -3.492749      3.635424
  H      -6.852093     -3.302862      5.918974
  H      -9.024482     -1.338099      3.793479
  H      -9.381618      1.075481      4.265897
  H      -8.448918      2.126165      6.310260
  H      -7.317475      2.196756      8.362576
  H      -6.741365     -1.699186      7.454956
  H      -1.441649     -6.475001      8.081377
  H      -1.786575     -5.239221      9.315456
  H      -0.121223     -5.529531      8.791319
  H      -1.027326     -3.427751      7.820669
  H      -0.514804     -4.570898      6.581616
  H      -2.606963     -3.160976      6.295750
  H      -3.706696     -5.161916      8.290473
  H      -3.873361     -3.382805      8.289730
  H      -4.664188     -4.736951      5.978353
  H      -4.810064     -7.069300      6.607885
  H      -6.121689     -8.820437      7.811010
  H      -7.958659     -8.175186      9.347849
  H      -9.375608     -6.695422     10.511442
  H      -7.180942     -4.010647      8.462420
  N      -4.886131     -2.767301      5.044628
  H      -5.239973     -3.210751      6.000571
  H      -5.657454     -2.236573      4.630908
  H      -4.205223     -2.040618      5.279506
  N      -2.571363     -2.889139      4.187068
  N      -1.830339     -2.057645      4.359401
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5658515-4aaE/orca E -7240.430003223616
  N      -2.897191     -3.760142      2.106421
  C      -2.565827     -4.927157      1.277514
  C      -2.290404     -6.142612      2.158109
  N      -3.416905     -6.399111      3.098220
  C      -4.581493     -7.014154      2.424897
  C      -5.879584     -6.762277      3.194138
  N      -5.904665     -5.457269      3.870308
  Mo     -4.061210     -4.464728      3.826229
  N      -2.877051     -5.010938      5.434640
  C      -2.294199     -6.354184      5.365971
  C      -2.994202     -7.193195      4.291387
  H      -2.398884     -6.903793      6.319551
  H      -1.207753     -6.297894      5.151135
  H      -3.919179     -7.606186      4.718009
  H      -2.349621     -8.035540      3.981928
  H      -6.704982     -6.865166      2.462175
  H      -6.023772     -7.588504      3.918936
  H      -4.645059     -6.564802      1.425818
  H      -4.447347     -8.106169      2.297553
  H      -1.654760     -4.751881      0.671471
  H      -3.373507     -5.176787      0.555370
  H      -1.403929     -5.935983      2.775722
  H      -2.092221     -7.030904      1.530218
  C      -3.568167     -1.089000     -0.573431
  C      -3.198421     -2.473108     -0.036368
  C      -3.697399     -2.745449      1.397374
  C      -5.166364     -3.222113      1.526415
  N      -6.207041     -2.307174      1.990916
  C      -6.549837     -1.113530      1.326387
  C      -7.082450     -1.128053      0.024081
  C      -7.485061      0.064492     -0.572164
  C      -7.393701      1.281309      0.108493
  C      -6.894169      1.295013      1.419264
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  C      -6.468592      0.103717      2.019417
  C      -9.352040     -6.101711      5.639788
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  C      -7.814354     -3.861142      4.330896
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  C      -8.273093      1.038042      6.139514
  C      -7.540629      0.258878      7.055505
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  C      -7.360738     -1.104279      6.827109
  C      -1.139489     -5.498950      8.430422
  C      -1.262341     -4.414038      7.355020
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  C      -6.376161     -7.768709      7.990511
  C      -7.417930     -7.402527      8.843102
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  S      -9.054246     -5.473617     10.023022
  C      -6.955962     -5.068869      8.365411
  H      -3.146093     -0.937470     -1.577797
  H      -3.176611     -0.298664      0.084996
  H      -4.655729     -0.953223     -0.640539
  H      -2.101129     -2.565511     -0.023271
  H      -3.586496     -3.247236     -0.718730
  H      -3.579158     -1.792357      1.950725
  H      -5.528136     -3.703615      0.601935
  H      -5.010953     -4.030195      2.266905
  H      -5.908027     -1.998921      2.917740
  H      -7.166824     -2.077417     -0.506977
  H      -7.883874      0.048462     -1.588339
  H      -7.718251      2.206475     -0.369476
  H      -7.222584      3.616885      1.420849
  H      -6.106698      0.112202      3.051944
  H      -9.950977     -7.009055      5.800979
  H      -9.994793     -5.353376      5.154855
  H      -9.065191     -5.701305      6.624819
  H      -8.452493     -6.740693      3.779415
  H      -7.596629     -7.278603      5.229518
  H      -6.776363     -5.039175      5.671139
  H      -8.791437     -3.806852      3.839499
  H      -7.038419     -3.456233      3.676559
  H      -6.884952     -3.332901      6.030511
  H      -8.995796     -1.381870      3.827338
  H      -9.332366      1.041273      4.268984
  H      -8.428763      2.102337      6.318782
  H      -7.332672      2.185899      8.384803
  H      -6.783867     -1.728788      7.534220
  H      -1.425777     -6.495607      8.067607
  H      -1.751235     -5.268158      9.313419
  H      -0.094000     -5.559115      8.766750
  H      -1.006441     -3.446872      7.816497
  H      -0.513486     -4.584527      6.566212
  H      -2.608736     -3.169482      6.311033
  H      -3.685587     -5.166195      8.325128
  H      -3.856847     -3.385961      8.315398
  H      -4.662142     -4.747664      6.018595
  H      -4.807989     -7.085471      6.659149
  H      -6.144551     -8.826348      7.849879
  H      -7.992970     -8.167037      9.367627
  H      -9.412919     -6.682986     10.511765
  H      -7.172568     -4.007659      8.499510
  N      -4.888027     -2.724562      5.061222
  H      -5.226838     -3.179445      6.007907
  H      -5.660767     -2.180829      4.665694
  H      -4.203239     -2.001080      5.295115
  N      -2.544368     -2.866456      4.173859
  N      -1.808821     -2.040654      4.340475
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5658515-4aaE/orca E -7240.446361742371
  N      -2.912061     -3.758287      2.092219
  C      -2.590561     -4.925235      1.265359
  C      -2.304060     -6.133108      2.150247
  N      -3.426329     -6.388361      3.095806
  C      -4.588123     -7.004112      2.418182
  C      -5.880324     -6.763536      3.192331
  N      -5.899560     -5.462767      3.873979
  Mo     -4.068855     -4.455774      3.835531
  N      -2.887365     -5.014111      5.446456
  C      -2.307311     -6.356657      5.366780
  C      -3.006110     -7.187376      4.287239
  H      -2.412327     -6.916417      6.314840
  H      -1.220066     -6.301692      5.154241
  H      -3.932467     -7.602440      4.708840
  H      -2.364162     -8.029906      3.972020
  H      -6.709064     -6.865784      2.464743
  H      -6.017656     -7.595003      3.912374
  H      -4.650983     -6.549226      1.421666
  H      -4.444038     -8.094165      2.283984
  H      -1.682769     -4.755195      0.651859
  H      -3.399838     -5.182923      0.547344
  H      -1.413696     -5.927532      2.762705
  H      -2.109592     -7.025872      1.527036
  C      -3.538035     -1.067957     -0.576426
  C      -3.191166     -2.458318     -0.042315
  C      -3.700112     -2.730485      1.386676
  C      -5.178642     -3.184522      1.504520
  N      -6.212534     -2.264494      1.966569
  C      -6.548460     -1.081836      1.281742
  C      -7.047617     -1.115582     -0.033633
  C      -7.447215      0.067177     -0.650866
  C      -7.387906      1.291819      0.018885
  C      -6.923250      1.323278      1.341748
  S      -6.844732      2.815724      2.294310
  C      -6.499173      0.143379      1.963977
  C      -9.342883     -6.109556      5.642171
  C      -8.123636     -6.424120      4.766269
  C      -7.152130     -5.250656      4.684593
  C      -7.799535     -3.862681      4.380888
  N      -7.790964     -3.132478      5.674197
  C      -7.934013     -1.750518      5.737759
  C      -8.581780     -0.966124      4.769265
  C      -8.748244      0.402286      4.998707
  C      -8.251237      1.017772      6.145512
  C      -7.546108      0.243871      7.086500
  S      -6.812676      0.952119      8.538880
  C      -7.380347     -1.124893      6.883622
  C      -1.118124     -5.520435      8.411727
  C      -1.257601     -4.427462      7.347392
  C      -2.630445     -4.219800      6.665635
  C      -3.801602     -4.300163      7.707486
  N      -5.084046     -4.434477      6.980204
  C      -5.908252     -5.459938      7.562487
  C      -5.623277     -6.820660      7.367271
  C      -6.382080     -7.785910      8.028154
  C      -7.430292     -7.418500      8.872334
  C      -7.726060     -6.059709      9.053279
  S      -9.075417     -5.488864     10.039886
  C      -6.952863     -5.084615      8.408983
  H      -3.108281     -0.916449     -1.577819
  H      -3.138796     -0.285024      0.086656
  H      -4.622861     -0.913578     -0.650382
  H      -2.095158     -2.566037     -0.024705
  H      -3.584082     -3.226089     -0.729422
  H      -3.575727     -1.783625      1.949300
  H      -5.541173     -3.660865      0.577772
  H      -5.038623     -4.001567      2.237854
  H      -5.929340     -1.961336      2.899939
  H      -7.110062     -2.069132     -0.559870
  H      -7.820335      0.038006     -1.676645
  H      -7.711096      2.208313     -0.476521
  H      -7.279578      3.640730      1.314037
  H      -6.166944      0.163076      3.005871
  H      -9.953768     -7.012714      5.783273
  H      -9.980376     -5.339978      5.184313
  H      -9.045091     -5.742349      6.636363
  H      -8.465182     -6.711847      3.759208
  H      -7.607222     -7.297599      5.189850
  H      -6.767594     -5.088112      5.692333
  H      -8.778348     -3.811555      3.891124
  H      -7.042192     -3.423365      3.723158
  H      -6.916180     -3.367903      6.136810
  H      -8.959429     -1.426614      3.856484
  H      -9.271706      1.006526      4.255113
  H      -8.393511      2.087336      6.303734
  H      -7.329602      2.192242      8.380615
  H      -6.816122     -1.742663      7.603735
  H      -1.409381     -6.514824      8.045722
  H      -1.717508     -5.299991      9.306066
  H      -0.068464     -5.585126      8.734579
  H      -0.993455     -3.463822      7.812286
  H      -0.518606     -4.590720      6.547676
  H      -2.620524     -3.177935      6.329854
  H      -3.666844     -5.176262      8.358134
  H      -3.844717     -3.395361      8.341752
  H      -4.665907     -4.763767      6.061145
  H      -4.803023     -7.106942      6.709182
  H      -6.155569     -8.844452      7.885066
  H      -8.015670     -8.182315      9.386409
  H      -9.442987     -6.701087     10.515832
  H      -7.170678     -4.024100      8.543920
  N      -4.898194     -2.691239      5.082334
  H      -5.221751     -3.152917      6.015119
  H      -5.673335     -2.137355      4.704822
  H      -4.208790     -1.971983      5.315548
  N      -2.527261     -2.843988      4.166959
  N      -1.788571     -2.012880      4.330243
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5658515-4aaE/orca E -7240.459891739402
  N      -2.930324     -3.759318      2.082778
  C      -2.616063     -4.924379      1.257172
  C      -2.316916     -6.124658      2.145983
  N      -3.435388     -6.378891      3.095808
  C      -4.593268     -6.995894      2.413073
  C      -5.880249     -6.765972      3.191698
  N      -5.893403     -5.469111      3.877254
  Mo     -4.078079     -4.449224      3.847063
  N      -2.900457     -5.016680      5.457049
  C      -2.320725     -6.357647      5.368091
  C      -3.017631     -7.182759      4.284852
  H      -2.424589     -6.925805      6.311569
  H      -1.233049     -6.302429      5.157314
  H      -3.944660     -7.600813      4.701913
  H      -2.377186     -8.024865      3.965067
  H      -6.712632     -6.866888      2.468792
  H      -6.011892     -7.601492      3.908146
  H      -4.656473     -6.535397      1.419366
  H      -4.438529     -8.083529      2.271729
  H      -1.712006     -4.757226      0.636441
  H      -3.426462     -5.190142      0.542845
  H      -1.423297     -5.918046      2.753206
  H      -2.124438     -7.021678      1.527951
  C      -3.503492     -1.046709     -0.571413
  C      -3.181549     -2.444075     -0.042146
  C      -3.704182     -2.718786      1.380703
  C      -5.192421     -3.150257      1.484595
  N      -6.217985     -2.224736      1.947553
  C      -6.551935     -1.052974      1.245811
  C      -7.025939     -1.105594     -0.078363
  C      -7.427562      0.066470     -0.714154
  C      -7.396158      1.298532     -0.056576
  C      -6.956413      1.347954      1.274004
  S      -6.914016      2.850444      2.214806
  C      -6.529142      0.179997      1.915440
  C      -9.338674     -6.110405      5.639561
  C      -8.129203     -6.420702      4.750235
  C      -7.136301     -5.259456      4.692328
  C      -7.776760     -3.865256      4.420185
  N      -7.799923     -3.165014      5.721835
  C      -7.933360     -1.779692      5.781848
  C      -8.549388     -0.999565      4.789525
  C      -8.699543      0.374532      4.995858
  C      -8.217092      0.998928      6.143679
  C      -7.543738      0.227586      7.109140
  S      -6.824861      0.946539      8.564387
  C      -7.395258     -1.146264      6.928681
  C      -1.091960     -5.531196      8.390551
  C      -1.252474     -4.432676      7.335653
  C      -2.637419     -4.227437      6.676458
  C      -3.791713     -4.311362      7.736344
  N      -5.082639     -4.454987      7.021724
  C      -5.903572     -5.478273      7.608975
  C      -5.621999     -6.839973      7.412645
  C      -6.390569     -7.804638      8.062653
  C      -7.445587     -7.436373      8.897972
  C      -7.735492     -6.077192      9.082568
  S      -9.098169     -5.505434     10.052801
  C      -6.951589     -5.102473      8.451205
  H      -3.063219     -0.894275     -1.568166
  H      -3.098031     -0.273085      0.098938
  H      -4.584794     -0.874022     -0.654336
  H      -2.087210     -2.567206     -0.017766
  H      -3.577498     -3.203976     -0.736389
  H      -3.574820     -1.779264      1.954479
  H      -5.555451     -3.620087      0.554492
  H      -5.069047     -3.976688      2.209959
  H      -5.947774     -1.928018      2.886767
  H      -7.069263     -2.063511     -0.598162
  H      -7.781924      0.023409     -1.746097
  H      -7.721594      2.205790     -0.567122
  H      -7.341116      3.660459      1.218685
  H      -6.216105      0.212381      2.962443
  H      -9.962922     -7.007627      5.759528
  H      -9.967942     -5.319828      5.207205
  H      -9.031860     -5.776424      6.642665
  H      -8.478909     -6.678804      3.737794
  H      -7.624423     -7.311636      5.150909
  H      -6.760951     -5.133602      5.710588
  H      -8.755225     -3.819639      3.926817
  H      -7.033536     -3.396753      3.763110
  H      -6.948759     -3.408648      6.226737
  H      -8.912914     -1.464537      3.873496
  H      -9.195349      0.976992      4.231995
  H      -8.343577      2.073069      6.282915
  H      -7.315372      2.192850      8.373405
  H      -6.847013     -1.759258      7.662353
  H      -1.385743     -6.524574      8.023607
  H      -1.678376     -5.320598      9.295870
  H      -0.037664     -5.595953      8.697991
  H      -0.982299     -3.471130      7.801737
  H      -0.524324     -4.587783      6.524465
  H      -2.635418     -3.183046      6.343448
  H      -3.645631     -5.184207      8.389392
  H      -3.831092     -3.403171      8.364589
  H      -4.671658     -4.782256      6.104008
  H      -4.799729     -7.128934      6.757898
  H      -6.169150     -8.863773      7.916077
  H      -8.041714     -8.199649      9.400211
  H      -9.476225     -6.719553     10.515567
  H      -7.170138     -4.042364      8.587603
  N      -4.910388     -2.663677      5.103783
  H      -5.219496     -3.127287      6.020760
  H      -5.688203     -2.101557      4.743805
  H      -4.214514     -1.950351      5.335451
  N      -2.514716     -2.822952      4.166457
  N      -1.780518     -1.993932      4.326808
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5658515-4aaE/orca E -7240.471075143863
  N      -2.952258     -3.762678      2.078453
  C      -2.641685     -4.924122      1.252700
  C      -2.329169     -6.117317      2.144889
  N      -3.444778     -6.370971      3.097505
  C      -4.598257     -6.990063      2.409310
  C      -5.880896     -6.769975      3.192817
  N      -5.887845     -5.475790      3.880648
  Mo     -4.089822     -4.445016      3.859711
  N      -2.917925     -5.018609      5.465979
  C      -2.335414     -6.357223      5.369706
  C      -3.029359     -7.179430      4.283646
  H      -2.437092     -6.931844      6.309781
  H      -1.247493     -6.299781      5.160786
  H      -3.956434     -7.601341      4.696595
  H      -2.388952     -8.020501      3.960866
  H      -6.717756     -6.869454      2.475517
  H      -6.007255     -7.608177      3.907290
  H      -4.663696     -6.524217      1.418505
  H      -4.432525     -8.074998      2.260882
  H      -1.741557     -4.756933      0.625495
  H      -3.452499     -5.197565      0.541184
  H      -1.433246     -5.907187      2.747264
  H      -2.136462     -7.018193      1.532363
  C      -3.473714     -1.022267     -0.555757
  C      -3.172710     -2.427467     -0.036349
  C      -3.710077     -2.709322      1.379230
  C      -5.207295     -3.119176      1.465377
  N      -6.222645     -2.186229      1.929579
  C      -6.555037     -1.025011      1.212437
  C      -7.002616     -1.095022     -0.120257
  C      -7.406220      0.066112     -0.774267
  C      -7.403395      1.304594     -0.128397
  C      -6.988944      1.371119      1.209428
  S      -6.983008      2.882393      2.137717
  C      -6.558651      0.215034      1.869625
  C      -9.334556     -6.106646      5.642074
  C      -8.135760     -6.412948      4.738309
  C      -7.120807     -5.265522      4.702071
  C      -7.752999     -3.867171      4.457415
  N      -7.805507     -3.185853      5.762411
  C      -7.929874     -1.798320      5.816931
  C      -8.520296     -1.024935      4.803197
  C      -8.654317      0.354306      4.984324
  C      -8.181054      0.990612      6.129377
  C      -7.534175      0.225268      7.116979
  S      -6.823895      0.957722      8.569726
  C      -7.402633     -1.153446      6.960482
  C      -1.066370     -5.539674      8.366732
  C      -1.250446     -4.434667      7.323079
  C      -2.647568     -4.234889      6.686622
  C      -3.784570     -4.327250      7.764154
  N      -5.084536     -4.480734      7.064375
  C      -5.899066     -5.504200      7.655613
  C      -5.619231     -6.865775      7.454347
  C      -6.395210     -7.832881      8.091527
  C      -7.456230     -7.467655      8.920581
  C      -7.742448     -6.108943      9.113475
  S      -9.116052     -5.541110     10.071506
  C      -6.950195     -5.132050      8.495930
  H      -3.023029     -0.864938     -1.547022
  H      -3.064666     -0.259516      0.124788
  H      -4.552139     -0.835254     -0.646721
  H      -2.080061     -2.563673     -0.005049
  H      -3.569543     -3.177920     -0.740366
  H      -3.578099     -1.777883      1.965711
  H      -5.569847     -3.580450      0.530636
  H      -5.102024     -3.955892      2.182975
  H      -5.964407     -1.895990      2.873907
  H      -7.025591     -2.057120     -0.633229
  H      -7.740923      0.009318     -1.812029
  H      -7.730817      2.202638     -0.653483
  H      -7.402361      3.678215      1.127202
  H      -6.263958      0.260800      2.921294
  H      -9.972183     -6.996957      5.741457
  H      -9.954868     -5.295507      5.236153
  H      -9.017578     -5.806180      6.652444
  H      -8.494622     -6.641476      3.721804
  H      -7.643191     -7.320879      5.115465
  H      -6.753197     -5.175407      5.728768
  H      -8.731271     -3.832581      3.959968
  H      -7.024109     -3.373678      3.800511
  H      -6.978281     -3.441778      6.303339
  H      -8.874304     -1.497156      3.887313
  H      -9.127127      0.951599      4.202050
  H      -8.292108      2.068794      6.248463
  H      -7.288224      2.208767      8.347931
  H      -6.865996     -1.758611      7.706932
  H      -1.360039     -6.532076      7.997180
  H      -1.640573     -5.340890      9.282463
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  H      -0.977180     -3.475107      7.791563
  H      -0.533248     -4.578382      6.500179
  H      -2.655314     -3.188294      6.358894
  H      -3.624104     -5.197295      8.417939
  H      -3.819236     -3.416629      8.387844
  H      -4.680480     -4.804659      6.146725
  H      -4.795408     -7.153740      6.800613
  H      -6.177143     -8.891640      7.937976
  H      -8.060786     -8.232715      9.409605
  H      -9.502427     -6.758087     10.519101
  H      -7.170096     -4.072742      8.636975
  N      -4.925760     -2.643194      5.124126
  H      -5.223219     -3.105932      6.028463
  H      -5.706222     -2.075254      4.780058
  H      -4.221959     -1.937120      5.353569
  N      -2.507267     -2.803687      4.168567
  N      -1.772490     -1.971292      4.326256
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5658515-4aaE/orca E -7240.480331543061
  N      -2.973623     -3.773633      2.075261
  C      -2.664102     -4.931938      1.249976
  C      -2.339004     -6.117263      2.147392
  N      -3.453018     -6.368278      3.102273
  C      -4.602729     -6.990566      2.409766
  C      -5.882015     -6.777050      3.197258
  N      -5.882334     -5.482733      3.883114
  Mo     -4.100456     -4.444491      3.870963
  N      -2.935944     -5.020547      5.473392
  C      -2.349448     -6.357121      5.373965
  C      -3.040476     -7.179343      4.287054
  H      -2.448778     -6.934856      6.312596
  H      -1.261393     -6.297211      5.166843
  H      -3.967665     -7.603824      4.696904
  H      -2.399716     -8.020100      3.963964
  H      -6.723352     -6.875911      2.485853
  H      -6.004500     -7.615075      3.912731
  H      -4.671155     -6.521421      1.421005
  H      -4.426938     -8.073082      2.256695
  H      -1.767811     -4.763729      0.616914
  H      -3.474815     -5.213441      0.540896
  H      -1.441708     -5.900848      2.745270
  H      -2.144710     -7.022945      1.542386
  C      -3.435675     -1.004708     -0.538875
  C      -3.156441     -2.418018     -0.030145
  C      -3.712537     -2.707871      1.376555
  C      -5.219017     -3.095550      1.441911
  N      -6.222501     -2.153399      1.909265
  C      -6.559139     -1.001327      1.182787
  C      -6.987238     -1.082897     -0.155986
  C      -7.398411      0.069427     -0.820610
  C      -7.422306      1.311028     -0.181075
  C      -7.025042      1.389066      1.161345
  S      -7.051679      2.904425      2.082918
  C      -6.586365      0.242637      1.832552
  C      -9.335191     -6.093103      5.639843
  C      -8.145041     -6.398615      4.725250
  C      -7.107448     -5.266938      4.709445
  C      -7.728880     -3.865719      4.482211
  N      -7.811528     -3.197314      5.788885
  C      -7.928109     -1.808999      5.841856
  C      -8.495979     -1.038363      4.811849
  C      -8.614422      0.344457      4.975036
  C      -8.149107      0.987625      6.119776
  C      -7.527190      0.224629      7.124817
  S      -6.825570      0.963236      8.578329
  C      -7.411367     -1.157677      6.985071
  C      -1.037201     -5.536175      8.343010
  C      -1.247615     -4.428084      7.307913
  C      -2.656653     -4.238697      6.693334
  C      -3.776680     -4.340838      7.787874
  N      -5.085647     -4.505562      7.104243
  C      -5.892936     -5.529897      7.698703
  C      -5.614742     -6.890966      7.490505
  C      -6.398345     -7.861279      8.113203
  C      -7.465381     -7.499856      8.936424
  C      -7.748195     -6.141826      9.139675
  S      -9.131610     -5.579042     10.086782
  C      -6.947596     -5.162171      8.536949
  H      -2.971999     -0.841965     -1.523216
  H      -3.025321     -0.253612      0.153715
  H      -4.510792     -0.804356     -0.640103
  H      -2.065728     -2.567202      0.010746
  H      -3.552067     -3.158243     -0.745700
  H      -3.579484     -1.784690      1.975887
  H      -5.580815     -3.546672      0.501953
  H      -5.134436     -3.941540      2.152092
  H      -5.973380     -1.870387      2.857890
  H      -6.991190     -2.046806     -0.665682
  H      -7.719155      0.002916     -1.862167
  H      -7.755934      2.201695     -0.714571
  H      -7.471208      3.690039      1.064681
  H      -6.301814      0.298446      2.886540
  H      -9.987092     -6.975031      5.719644
  H      -9.944216     -5.262622      5.256962
  H      -9.010573     -5.823617      6.656488
  H      -8.510434     -6.600074      3.705153
  H      -7.666638     -7.322154      5.082324
  H      -6.749801     -5.208217      5.743900
  H      -8.705162     -3.845512      3.977445
  H      -7.011462     -3.351869      3.826408
  H      -7.010501     -3.469045      6.363181
  H      -8.842305     -1.514157      3.895013
  H      -9.066412      0.939164      4.178600
  H      -8.245829      2.068637      6.224510
  H      -7.263486      2.219367      8.333449
  H      -6.885764     -1.758104      7.741620
  H      -1.327944     -6.529288      7.973330
  H      -1.599778     -5.347696      9.268074
  H       0.026373     -5.590144      8.618465
  H      -0.974220     -3.468524      7.776425
  H      -0.541280     -4.560507      6.473798
  H      -2.675681     -3.190633      6.368499
  H      -3.599635     -5.207109      8.442650
  H      -3.806384     -3.427371      8.406689
  H      -4.688779     -4.827264      6.186124
  H      -4.789190     -7.176304      6.837329
  H      -6.183437     -8.919379      7.951238
  H      -8.078236     -8.267232      9.411137
  H      -9.526481     -6.799049     10.518004
  H      -7.168020     -4.103518      8.683791
  N      -4.938789     -2.626320      5.136879
  H      -5.228030     -3.085542      6.034145
  H      -5.721320     -2.054141      4.806036
  H      -4.225448     -1.928673      5.362428
  N      -2.499170     -2.787731      4.169897
  N      -1.766464     -1.956243      4.323205
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5658515-4aaE/orca E -7240.488068046992
  N      -2.996971     -3.788769      2.074336
  C      -2.685244     -4.943771      1.249304
  C      -2.347794     -6.120960      2.152555
  N      -3.460623     -6.368721      3.109469
  C      -4.607223     -6.995645      2.414684
  C      -5.883538     -6.786976      3.206325
  N      -5.878470     -5.490102      3.886604
  Mo     -4.111424     -4.446195      3.881319
  N      -2.954620     -5.021530      5.479706
  C      -2.362118     -6.355831      5.379902
  C      -3.050042     -7.180611      4.293725
  H      -2.458350     -6.934116      6.318736
  H      -1.274142     -6.292130      5.174177
  H      -3.976897     -7.607286      4.701750
  H      -2.408090     -8.021046      3.972020
  H      -6.729556     -6.887003      2.501420
  H      -6.001745     -7.622576      3.925428
  H      -4.680434     -6.524913      1.427286
  H      -4.422018     -8.075991      2.258986
  H      -1.792933     -4.772474      0.611075
  H      -3.495485     -5.233586      0.542450
  H      -1.450103     -5.895455      2.746262
  H      -2.150279     -7.031650      1.556178
  C      -3.404299     -0.990541     -0.517732
  C      -3.140742     -2.411534     -0.022386
  C      -3.715581     -2.711432      1.374477
  C      -5.230137     -3.077460      1.415919
  N      -6.218959     -2.123535      1.886416
  C      -6.559905     -0.978680      1.154219
  C      -6.968016     -1.065312     -0.190866
  C      -7.385721      0.081282     -0.861211
  C      -7.435480      1.322875     -0.222954
  C      -7.055258      1.406327      1.124070
  S      -7.112796      2.921562      2.044516
  C      -6.609344      0.266457      1.801450
  C      -9.336394     -6.079018      5.640922
  C      -8.154398     -6.384065      4.716205
  C      -7.096995     -5.267196      4.718049
  C      -7.709451     -3.864630      4.500499
  N      -7.819438     -3.201394      5.806208
  C      -7.929542     -1.813206      5.857692
  C      -8.481082     -1.045075      4.815405
  C      -8.585104      0.340388      4.963558
  C      -8.123637      0.989592      6.106715
  C      -7.521498      0.229068      7.125281
  S      -6.824664      0.972463      8.578124
  C      -7.419647     -1.156138      6.999727
  C      -1.006161     -5.527218      8.317277
  C      -1.245086     -4.416584      7.291241
  C      -2.665533     -4.240416      6.698506
  C      -3.768474     -4.355154      7.809048
  N      -5.085666     -4.531309      7.142215
  C      -5.885392     -5.557673      7.738903
  C      -5.609900     -6.917882      7.520753
  C      -6.401175     -7.891780      8.127969
  C      -7.472731     -7.534707      8.947350
  C      -7.751313     -6.177728      9.164007
  S      -9.141363     -5.620868     10.104739
  C      -6.942814     -5.195007      8.576335
  H      -2.928826     -0.819359     -1.494930
  H      -2.995844     -0.250755      0.187959
  H      -4.477208     -0.781768     -0.628000
  H      -2.051728     -2.570496      0.027950
  H      -3.532964     -3.141432     -0.750473
  H      -3.583902     -1.796317      1.986466
  H      -5.590616     -3.516139      0.469818
  H      -5.168339     -3.932163      2.119070
  H      -5.976581     -1.847981      2.838492
  H      -6.953358     -2.028707     -0.701056
  H      -7.692155      0.009663     -1.906719
  H      -7.774421      2.208668     -0.761073
  H      -7.531939      3.701537      1.021903
  H      -6.333995      0.328370      2.857634
  H     -10.001401     -6.952541      5.703500
  H      -9.934423     -5.231304      5.279291
  H      -9.004570     -5.837523      6.662264
  H      -8.525497     -6.561253      3.693507
  H      -7.688842     -7.320933      5.055187
  H      -6.748424     -5.235006      5.758527
  H      -8.683251     -3.861897      3.988253
  H      -7.002719     -3.335200      3.844503
  H      -7.045043     -3.490398      6.409367
  H      -8.824031     -1.524297      3.899119
  H      -9.021136      0.932321      4.156248
  H      -8.207534      2.072766      6.199257
  H      -7.237683      2.233057      8.314090
  H      -6.901994     -1.752028      7.764132
  H      -1.291658     -6.521519      7.946959
  H      -1.557525     -5.349890      9.251252
  H       0.061888     -5.570647      8.576585
  H      -0.974211     -3.456365      7.759956
  H      -0.549727     -4.536194      6.445969
  H      -2.697537     -3.191515      6.377102
  H      -3.573163     -5.217804      8.463650
  H      -3.793616     -3.439636      8.424336
  H      -4.696656     -4.850780      6.222541
  H      -4.783352     -7.199413      6.866955
  H      -6.190063     -8.948961      7.955582
  H      -8.093383     -8.304696      9.407413
  H      -9.544668     -6.844147     10.518230
  H      -7.161884     -4.136941      8.731062
  N      -4.951806     -2.613982      5.144871
  H      -5.235131     -3.068286      6.040375
  H      -5.736805     -2.039094      4.825632
  H      -4.228666     -1.925056      5.365375
  N      -2.492423     -2.772972      4.168922
  N      -1.758780     -1.940168      4.315605
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5658515-4aaE/orca E -7240.494622572027
  N      -3.020951     -3.808313      2.074719
  C      -2.704259     -4.960074      1.249885
  C      -2.355193     -6.128971      2.159309
  N      -3.466981     -6.372763      3.118313
  C      -4.611359     -7.005234      2.423439
  C      -5.884935     -6.799661      3.218857
  N      -5.876462     -5.498115      3.890075
  Mo     -4.121296     -4.450163      3.889940
  N      -2.971771     -5.022661      5.485085
  C      -2.372423     -6.354771      5.387116
  C      -3.057464     -7.183789      4.303107
  H      -2.465220     -6.931454      6.327411
  H      -1.284727     -6.286614      5.182130
  H      -3.983741     -7.611880      4.710658
  H      -2.413997     -8.024087      3.983938
  H      -6.735242     -6.902921      2.520362
  H      -5.998479     -7.630829      3.943832
  H      -4.690324     -6.534549      1.436650
  H      -4.417939     -8.083847      2.267191
  H      -1.815881     -4.784014      0.607350
  H      -3.513750     -5.258247      0.545101
  H      -1.457997     -5.892305      2.749277
  H      -2.153345     -7.044774      1.572371
  C      -3.369044     -0.982738     -0.496214
  C      -3.120656     -2.410785     -0.013403
  C      -3.717560     -2.720321      1.372020
  C      -5.239672     -3.064420      1.386923
  N      -6.211774     -2.097057      1.862041
  C      -6.559866     -0.957318      1.129227
  C      -6.953647     -1.042873     -0.220601
  C      -7.380543      0.101014     -0.889855
  C      -7.452673      1.339612     -0.247725
  C      -7.083133      1.422588      1.102352
  S      -7.165841      2.933759      2.027719
  C      -6.627862      0.286274      1.779101
  C      -9.340310     -6.065632      5.640046
  C      -8.165135     -6.370871      4.706971
  C      -7.090754     -5.267536      4.724771
  C      -7.695512     -3.864270      4.508872
  N      -7.830554     -3.202562      5.812094
  C      -7.934065     -1.815298      5.864102
  C      -8.471867     -1.047515      4.813239
  C      -8.562263      0.339699      4.951461
  C      -8.103580      0.991684      6.094467
  C      -7.519488      0.231227      7.123279
  S      -6.827713      0.975129      8.577861
  C      -7.430284     -1.156078      7.007080
  C      -0.971107     -5.510098      8.290775
  C      -1.240882     -4.399492      7.272334
  C      -2.672252     -4.239853      6.701153
  C      -3.758428     -4.367752      7.826729
  N      -5.082657     -4.555310      7.176505
  C      -5.876267     -5.582925      7.775363
  C      -5.605782     -6.942605      7.547234
  C      -6.406333     -7.918196      8.139536
  C      -7.481356     -7.563104      8.955308
  C      -7.753482     -6.206806      9.184967
  S      -9.148016     -5.652907     10.120637
  C      -6.935895     -5.222901      8.611554
  H      -2.879780     -0.803175     -1.465064
  H      -2.965444     -0.253650      0.223238
  H      -4.439432     -0.767047     -0.617943
  H      -2.033473     -2.578583      0.048996
  H      -3.507086     -3.130594     -0.754732
  H      -3.588963     -1.813017      1.996148
  H      -5.598652     -3.488040      0.433816
  H      -5.202966     -3.926939      2.082734
  H      -5.972921     -1.829687      2.816999
  H      -6.922915     -2.003379     -0.735348
  H      -7.677151      0.028881     -1.938194
  H      -7.798799      2.222935     -0.785303
  H      -7.588947      3.712319      1.005646
  H      -6.355859      0.350077      2.836054
  H     -10.017724     -6.930628      5.687171
  H      -9.927137     -5.202395      5.297296
  H      -9.002604     -5.849322      6.665272
  H      -8.540081     -6.526482      3.682053
  H      -7.711677     -7.319048      5.030403
  H      -6.751289     -5.256018      5.769947
  H      -8.665874     -3.878801      3.988463
  H      -6.997003     -3.323550      3.852696
  H      -7.084447     -3.510189      6.441767
  H      -8.813210     -1.528198      3.897092
  H      -8.984592      0.930751      4.136214
  H      -8.175915      2.076390      6.178708
  H      -7.216200      2.240332      8.298953
  H      -6.920691     -1.750128      7.777586
  H      -1.248955     -6.506749      7.921259
  H      -1.511329     -5.343292      9.233205
  H       0.101199     -5.539741      8.533885
  H      -0.974910     -3.437259      7.739867
  H      -0.556638     -4.506445      6.416230
  H      -2.718802     -3.190796      6.381534
  H      -3.544479     -5.226419      8.481076
  H      -3.779706     -3.450367      8.438997
  H      -4.702278     -4.874239      6.254734
  H      -4.778600     -7.221769      6.893103
  H      -6.200717     -8.974811      7.957254
  H      -8.110746     -8.334230      9.401454
  H      -9.561541     -6.878446     10.516964
  H      -7.150904     -4.164825      8.773585
  N      -4.962804     -2.605488      5.147651
  H      -5.241427     -3.053060      6.044675
  H      -5.750349     -2.028717      4.838637
  H      -4.230151     -1.924985      5.362218
  N      -2.484797     -2.759446      4.165426
  N      -1.750632     -1.927500      4.302542
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5658515-4aaE/orca E -7240.500275348529
  N      -3.047425     -3.829316      2.077045
  C      -2.723015     -4.977153      1.251550
  C      -2.362533     -6.138340      2.166109
  N      -3.472857     -6.378645      3.127262
  C      -4.615891     -7.016880      2.434280
  C      -5.886583     -6.813776      3.233889
  N      -5.877354     -5.506414      3.893935
  Mo     -4.131117     -4.455457      3.896997
  N      -2.987447     -5.024082      5.489261
  C      -2.380389     -6.353649      5.393695
  C      -3.062842     -7.187859      4.312770
  H      -2.469092     -6.927586      6.336137
  H      -1.293253     -6.279991      5.188461
  H      -3.988010     -7.617300      4.721121
  H      -2.417492     -8.027688      3.996158
  H      -6.741019     -6.922469      2.541948
  H      -5.994012     -7.639412      3.966117
  H      -4.701739     -6.547008      1.447773
  H      -4.415467     -8.094078      2.278447
  H      -1.838681     -4.794046      0.605625
  H      -3.531591     -5.283304      0.548698
  H      -1.466550     -5.889264      2.752714
  H      -2.155378     -7.058577      1.588219
  C      -3.340306     -0.976892     -0.471556
  C      -3.102135     -2.411075     -0.001822
  C      -3.721522     -2.731363      1.371057
  C      -5.249733     -3.053920      1.357087
  N      -6.203014     -2.071939      1.837697
  C      -6.556096     -0.935396      1.106531
  C      -6.933140     -1.015770     -0.248690
  C      -7.366250      0.127655     -0.914862
  C      -7.459770      1.361440     -0.266341
  C      -7.102988      1.440092      1.087531
  S      -7.209145      2.945186      2.020577
  C      -6.641735      0.305087      1.761817
  C      -9.343518     -6.058854      5.643355
  C      -8.175734     -6.362043      4.700587
  C      -7.088245     -5.269707      4.732039
  C      -7.688707     -3.866308      4.514666
  N      -7.843038     -3.202236      5.813800
  C      -7.940780     -1.816155      5.865831
  C      -8.469517     -1.049887      4.808553
  C      -8.549255      0.338556      4.938084
  C      -8.091807      0.993808      6.079905
  C      -7.521196      0.234572      7.116867
  S      -6.833654      0.980092      8.572323
  C      -7.441461     -1.154289      7.008986
  C      -0.934548     -5.490447      8.261878
  C      -1.236042     -4.380489      7.251598
  C      -2.677579     -4.238948      6.701885
  C      -3.747122     -4.381123      7.841402
  N      -5.077167     -4.579198      7.207158
  C      -5.866317     -5.607101      7.808380
  C      -5.603366     -6.966511      7.570064
  C      -6.413977     -7.942008      8.148937
  C      -7.490451     -7.586882      8.962669
  C      -7.753753     -6.230989      9.205262
  S      -9.149310     -5.677355     10.139436
  C      -6.926770     -5.247674      8.644252
  H      -2.837754     -0.787157     -1.431591
  H      -2.944890     -0.257342      0.261856
  H      -4.408893     -0.758071     -0.604910
  H      -2.016581     -2.584578      0.073280
  H      -3.480349     -3.121336     -0.756663
  H      -3.597925     -1.831666      2.006986
  H      -5.606869     -3.459049      0.395730
  H      -5.240065     -3.923925      2.044511
  H      -5.966508     -1.813525      2.795498
  H      -6.886543     -1.971956     -0.770170
  H      -7.651045      0.058121     -1.966676
  H      -7.810557      2.244067     -0.801998
  H      -7.632753      3.725121      0.999738
  H      -6.374798      0.367799      2.820130
  H     -10.031749     -6.915957      5.676679
  H      -9.920532     -5.181576      5.320154
  H      -8.998867     -5.866784      6.671246
  H      -8.555000     -6.497194      3.674303
  H      -7.732010     -7.319945      5.008126
  H      -6.754860     -5.274224      5.780170
  H      -8.656344     -3.897504      3.988387
  H      -6.998043     -3.317365      3.856850
  H      -7.124642     -3.527518      6.466306
  H      -8.811268     -1.533072      3.893827
  H      -8.962185      0.927898      4.116774
  H      -8.155379      2.079609      6.156842
  H      -7.200667      2.248638      8.279723
  H      -6.938093     -1.746144      7.784582
  H      -1.203070     -6.489635      7.892604
  H      -1.463848     -5.334859      9.212430
  H       0.141524     -5.504578      8.489127
  H      -0.976676     -3.415997      7.718314
  H      -0.563022     -4.474170      6.384971
  H      -2.740084     -3.190118      6.384095
  H      -3.514746     -5.236153      8.494715
  H      -3.765217     -3.462691      8.451984
  H      -4.706247     -4.898867      6.282894
  H      -4.776543     -7.244914      6.915094
  H      -6.215590     -8.998306      7.957037
  H      -8.128724     -8.357769      9.396495
  H      -9.574135     -6.904145     10.519630
  H      -7.134982     -4.189207      8.813607
  N      -4.972990     -2.601750      5.147281
  H      -5.247393     -3.041299      6.047528
  H      -5.763107     -2.023857      4.847085
  H      -4.231987     -1.928678      5.355627
  N      -2.477667     -2.745909      4.159556
  N      -1.740824     -1.914144      4.284080
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5658515-4aaE/orca E -7240.505258599982
  N      -3.074923     -3.851849      2.080971
  C      -2.740575     -4.995214      1.254126
  C      -2.369326     -6.149494      2.172685
  N      -3.477927     -6.386552      3.135955
  C      -4.620639     -7.029905      2.446314
  C      -5.888442     -6.828252      3.249975
  N      -5.880869     -5.514295      3.897015
  Mo     -4.139770     -4.462038      3.902175
  N      -3.000674     -5.026615      5.492625
  C      -2.386131     -6.353611      5.399637
  C      -3.066529     -7.193311      4.322415
  H      -2.470653     -6.924138      6.344542
  H      -1.299735     -6.274307      5.193276
  H      -3.990387     -7.623682      4.732477
  H      -2.419399     -8.032650      4.008167
  H      -6.746445     -6.944363      2.564213
  H      -5.988849     -7.647467      3.990438
  H      -4.713473     -6.561395      1.459805
  H      -4.414976     -8.106131      2.291651
  H      -1.860100     -4.803314      0.605938
  H      -3.547959     -5.308681      0.552836
  H      -1.475087     -5.887771      2.756421
  H      -2.156407     -7.073434      1.603105
  C      -3.306595     -0.975036     -0.446533
  C      -3.079990     -2.414610      0.012423
  C      -3.725352     -2.744408      1.370995
  C      -5.258876     -3.045013      1.326077
  N      -6.192855     -2.048405      1.813472
  C      -6.551808     -0.913641      1.086638
  C      -6.914646     -0.986191     -0.273188
  C      -7.354997      0.157972     -0.933550
  C      -7.468085      1.385547     -0.276704
  C      -7.121542      1.457296      1.080386
  S      -7.248490      2.954760      2.023385
  C      -6.653873      0.322358      1.749545
  C      -9.348082     -6.055327      5.646434
  C      -8.187509     -6.355400      4.693984
  C      -7.089675     -5.272392      4.737332
  C      -7.687623     -3.869035      4.515814
  N      -7.855678     -3.200996      5.810375
  C      -7.948523     -1.816226      5.863474
  C      -8.471359     -1.050929      4.802201
  C      -8.543175      0.338253      4.925836
  C      -8.086669      0.995564      6.066976
  C      -7.526471      0.236920      7.109800
  S      -6.843910      0.983123      8.567126
  C      -7.453278     -1.152914      7.007459
  C      -0.896925     -5.467987      8.232617
  C      -1.230057     -4.360207      7.229790
  C      -2.680818     -4.238098      6.700737
  C      -3.734173     -4.394383      7.853115
  N      -5.068866     -4.602094      7.233746
  C      -5.855488     -5.628691      7.838104
  C      -5.601793     -6.988242      7.591040
  C      -6.422996     -7.961752      8.158569
  C      -7.499829     -7.604370      8.970676
  C      -7.752786     -6.248417      9.224328
  S      -9.147628     -5.691990     10.157977
  C      -6.916066     -5.267575      8.673652
  H      -2.788104     -0.776552     -1.396255
  H      -2.921824     -0.264125      0.300826
  H      -4.372542     -0.752841     -0.594926
  H      -1.996452     -2.593522      0.103398
  H      -3.447696     -3.115907     -0.756055
  H      -3.607714     -1.852084      2.018103
  H      -5.613676     -3.428354      0.355493
  H      -5.278440     -3.922098      2.003620
  H      -5.957977     -1.799800      2.774117
  H      -6.853362     -1.936882     -0.803037
  H      -7.629814      0.093120     -1.988361
  H      -7.824126      2.268465     -0.808382
  H      -7.673920      3.737649      1.005528
  H      -6.390305      0.381759      2.808797
  H     -10.046313     -6.904739      5.667139
  H      -9.915866     -5.165159      5.342635
  H      -8.996370     -5.886591      6.676179
  H      -8.570783     -6.471235      3.666776
  H      -7.752359     -7.321893      4.986036
  H      -6.760734     -5.288084      5.787482
  H      -8.653192     -3.914876      3.985657
  H      -7.003539     -3.314717      3.855397
  H      -7.163717     -3.542110      6.482442
  H      -8.814292     -1.536139      3.888964
  H      -8.949742      0.926481      4.100522
  H      -8.144053      2.082055      6.138994
  H      -7.192091      2.254319      8.263060
  H      -6.955549     -1.743555      7.787067
  H      -1.154740     -6.470164      7.864095
  H      -1.415769     -5.323193      9.190657
  H       0.182283     -5.465328      8.444921
  H      -0.978525     -3.393027      7.695378
  H      -0.568034     -4.441084      6.353329
  H      -2.760318     -3.189964      6.383958
  H      -3.484429     -5.246032      8.505050
  H      -3.749624     -3.475441      8.462963
  H      -4.708073     -4.924468      6.306968
  H      -4.775753     -7.267901      6.935571
  H      -6.232891     -9.018088      7.958530
  H      -8.147203     -8.373544      9.394028
  H      -9.584754     -6.918820     10.523901
  H      -7.115862     -4.208374      8.849017
  N      -4.980702     -2.602041      5.143214
  H      -5.251382     -3.032438      6.047658
  H      -5.772927     -2.023491      4.849777
  H      -4.232738     -1.935048      5.345304
  N      -2.468950     -2.732519      4.152047
  N      -1.728677     -1.902665      4.260547
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5658515-4aaE/orca E -7240.509746595664
  N      -3.104815     -3.873576      2.086579
  C      -2.758019     -5.011693      1.257635
  C      -2.375973     -6.160034      2.178713
  N      -3.482392     -6.395042      3.144024
  C      -4.625500     -7.042919      2.458657
  C      -5.890405     -6.842467      3.266528
  N      -5.887004     -5.521633      3.899504
  Mo     -4.148221     -4.469038      3.905853
  N      -3.011981     -5.029403      5.495346
  C      -2.389777     -6.353467      5.404447
  C      -3.068398     -7.198910      4.331279
  H      -2.469706     -6.920559      6.351847
  H      -1.304328     -6.268105      5.196042
  H      -3.990529     -7.630438      4.743763
  H      -2.419284     -8.037366      4.018847
  H      -6.751570     -6.968176      2.586808
  H      -5.982328     -7.654817      4.015773
  H      -4.725424     -6.575955      1.472059
  H      -4.416005     -8.118501      2.305350
  H      -1.881279     -4.809041      0.608352
  H      -3.563741     -5.332004      0.557420
  H      -1.483893     -5.885781      2.760013
  H      -2.156701     -7.086576      1.616092
  C      -3.278464     -0.974124     -0.420828
  C      -3.060153     -2.417970      0.028749
  C      -3.731630     -2.757158      1.372176
  C      -5.268865     -3.036521      1.294880
  N      -6.183593     -2.025660      1.788927
  C      -6.545791     -0.891703      1.066450
  C      -6.891392     -0.955373     -0.298609
  C      -7.335831      0.190217     -0.954011
  C      -7.468191      1.411270     -0.289089
  C      -7.135072      1.475158      1.071957
  S      -7.282776      2.964919      2.024485
  C      -6.664376      0.339542      1.736958
  C      -9.351649     -6.056935      5.652630
  C      -8.199124     -6.351933      4.689062
  C      -7.093778     -5.276257      4.742167
  C      -7.691120     -3.873133      4.516597
  N      -7.867986     -3.200787      5.806834
  C      -7.956151     -1.817165      5.861569
  C      -8.473704     -1.052235      4.797184
  C      -8.539353      0.337412      4.916588
  C      -8.084726      0.995868      6.057871
  C      -7.534043      0.237288      7.105611
  S      -6.858445      0.983672      8.566075
  C      -7.465601     -1.153172      7.007128
  C      -0.860436     -5.445029      8.202777
  C      -1.224302     -4.339676      7.207863
  C      -2.683264     -4.237416      6.698530
  C      -3.721039     -4.408349      7.862442
  N      -5.059371     -4.624654      7.256479
  C      -5.845190     -5.648524      7.864653
  C      -5.602127     -7.008514      7.609932
  C      -6.433656     -7.978722      8.168425
  C      -7.509438     -7.617611      8.980043
  C      -7.750993     -6.261291      9.243268
  S      -9.142952     -5.700043     10.178564
  C      -6.904953     -5.284193      8.700503
  H      -2.744169     -0.766886     -1.359809
  H      -2.906706     -0.270154      0.339583
  H      -4.342022     -0.750734     -0.585082
  H      -1.978613     -2.599772      0.136548
  H      -3.415279     -3.111521     -0.752673
  H      -3.621099     -1.871643      2.029476
  H      -5.620277     -3.395096      0.314199
  H      -5.319218     -3.920517      1.960908
  H      -5.951327     -1.787223      2.752549
  H      -6.815487     -1.900256     -0.836793
  H      -7.598182      0.130916     -2.012352
  H      -7.826944      2.295042     -0.817464
  H      -7.706093      3.751394      1.008507
  H      -6.407199      0.394669      2.797924
  H     -10.058766     -6.899155      5.662219
  H      -9.911516     -5.155083      5.369222
  H      -8.991541     -5.911048      6.683086
  H      -8.587364     -6.449109      3.661716
  H      -7.770747     -7.326059      4.964920
  H      -6.766698     -5.299412      5.793482
  H      -8.655500     -3.931191      3.984665
  H      -7.012526     -3.315268      3.853158
  H      -7.200836     -3.556053      6.495576
  H      -8.817257     -1.539107      3.885030
  H      -8.940491      0.925051      4.088199
  H      -8.137509      2.082799      6.126524
  H      -7.189104      2.257017      8.251579
  H      -6.974459     -1.743280      7.790756
  H      -1.106622     -6.450079      7.834356
  H      -1.369461     -5.311426      9.167708
  H       0.221210     -5.425179      8.401328
  H      -0.981403     -3.370068      7.673112
  H      -0.572941     -4.407548      6.322247
  H      -2.780672     -3.190246      6.383020
  H      -3.455183     -5.257371      8.512092
  H      -3.734419     -3.489894      8.473062
  H      -4.709129     -4.951232      6.327426
  H      -4.777534     -7.291013      6.953810
  H      -6.252490     -9.035291      7.961389
  H      -8.165429     -8.384029      9.395094
  H      -9.592499     -6.925970     10.532258
  H      -7.095302     -4.224082      8.881123
  N      -4.987705     -2.606446      5.136739
  H      -5.254961     -3.027137      6.045678
  H      -5.781824     -2.028035      4.847927
  H      -4.234627     -1.943516      5.332872
  N      -2.460000     -2.717505      4.143759
  N      -1.714657     -1.889998      4.232570
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5658515-4aaE/orca E -7240.513863700426
  N      -3.136082     -3.894056      2.093733
  C      -2.774626     -5.026329      1.262244
  C      -2.381994     -6.169717      2.184566
  N      -3.485925     -6.403946      3.151832
  C      -4.629934     -7.055658      2.471287
  C      -5.892088     -6.855930      3.283061
  N      -5.895034     -5.528034      3.900922
  Mo     -4.155865     -4.476174      3.908435
  N      -3.021086     -5.032478      5.498124
  C      -2.391449     -6.353432      5.408778
  C      -3.068566     -7.204596      4.339790
  H      -2.466642     -6.917400      6.358482
  H      -1.307068     -6.262150      5.197649
  H      -3.988737     -7.637407      4.755101
  H      -2.417382     -8.041936      4.028724
  H      -6.755714     -6.993347      2.608952
  H      -5.974620     -7.660857      4.041610
  H      -4.736458     -6.590498      1.484463
  H      -4.418028     -8.130953      2.319570
  H      -1.901259     -4.811456      0.613172
  H      -3.578005     -5.352954      0.562339
  H      -1.492311     -5.883628      2.763891
  H      -2.156031     -7.097771      1.627367
  C      -3.248002     -0.975684     -0.396749
  C      -3.039643     -2.422872      0.046853
  C      -3.739079     -2.769208      1.374097
  C      -5.278930     -3.027854      1.263736
  N      -6.175838     -2.003711      1.764087
  C      -6.541423     -0.870158      1.046347
  C      -6.872500     -0.924852     -0.323050
  C      -7.321180      0.222300     -0.973111
  C      -7.470253      1.436974     -0.300510
  C      -7.148291      1.492868      1.063765
  S      -7.313772      2.975175      2.025437
  C      -6.674729      0.356301      1.724208
  C      -9.355778     -6.061615      5.658162
  C      -8.211063     -6.350649      4.683639
  C      -7.100574     -5.280574      4.744830
  C      -7.697892     -3.877666      4.514915
  N      -7.880551     -3.201579      5.801439
  C      -7.962930     -1.818917      5.858863
  C      -8.473205     -1.052317      4.791971
  C      -8.532544      0.337611      4.909565
  C      -8.081271      0.994934      6.052880
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  N      -5.048967     -4.646401      7.275838
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  C      -7.749018     -6.269600      9.261457
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  H      -2.696004     -0.762412     -1.324033
  H      -2.890438     -0.277141      0.375435
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  H      -1.960608     -2.607439      0.173861
  H      -3.380713     -3.110015     -0.746463
  H      -3.635871     -1.889785      2.040224
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  H      -5.361332     -3.918407      1.916561
  H      -5.946732     -1.775177      2.730570
  H      -6.784182     -1.863919     -0.869312
  H      -7.573034      0.168700     -2.034340
  H      -7.831792      2.321767     -0.825225
  H      -7.735872      3.765287      1.011783
  H      -6.422599      0.406855      2.786474
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  H      -9.908740     -5.149526      5.394504
  H      -8.987194     -5.937002      6.688570
  H      -8.604217     -6.430685      3.656587
  H      -7.788124     -7.331304      4.943973
  H      -6.774597     -5.307534      5.797053
  H      -8.661376     -3.944591      3.981889
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  H      -7.237676     -3.570086      6.505209
  H      -8.816274     -1.539226      3.879617
  H      -8.927167      0.926346      4.078805
  H      -8.129477      2.082151      6.120355
  H      -7.187824      2.254235      8.247581
  H      -6.996029     -1.747878      7.795470
  H      -1.059447     -6.428976      7.805861
  H      -1.325746     -5.298480      9.145396
  H       0.257755     -5.383872      8.360667
  H      -0.985172     -3.346914      7.652490
  H      -0.577564     -4.373853      6.293179
  H      -2.800823     -3.190846      6.381807
  H      -3.427543     -5.269654      8.516694
  H      -3.719976     -3.505339      8.482916
  H      -4.709464     -4.978672      6.344893
  H      -4.780897     -7.313597      6.971198
  H      -6.273236     -9.049733      7.966593
  H      -8.183639     -8.389385      9.399177
  H      -9.599513     -6.925895     10.541846
  H      -7.074621     -4.236152      8.909542
  N      -4.993379     -2.614233      5.128365
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  H      -5.789118     -2.036723      4.841836
  H      -4.237129     -1.953251      5.318988
  N      -2.449257     -2.700349      4.136049
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107
Coordinates from ORCA-job /scratch/magstr/orcajob__5658515-4aaE/orca E -7240.517684568762
  N      -3.169242     -3.912201      2.101399
  C      -2.791018     -5.038159      1.267219
  C      -2.387551     -6.177395      2.189625
  N      -3.488482     -6.412741      3.158892
  C      -4.633545     -7.067993      2.483511
  C      -5.892978     -6.868919      3.299264
  N      -5.904143     -5.533948      3.901327
  Mo     -4.163087     -4.483266      3.909956
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  C      -2.390952     -6.352881      5.412023
  C      -3.066692     -7.209844      4.347262
  H      -2.460900     -6.914263      6.363750
  H      -1.307782     -6.255614      5.197534
  H      -3.984496     -7.644461      4.765764
  H      -2.413110     -8.045636      4.037060
  H      -6.758604     -7.020242      2.630773
  H      -5.964931     -7.665892      4.067566
  H      -4.746359     -6.604855      1.496366
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  H      -1.920762     -4.809909      0.619491
  H      -3.591287     -5.370897      0.566902
  H      -1.500316     -5.880291      2.767221
  H      -2.154562     -7.105779      1.636103
  C      -3.224935     -0.977142     -0.374395
  C      -3.023584     -2.426574      0.065162
  C      -3.749411     -2.779428      1.376265
  C      -5.290255     -3.018916      1.233198
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  C      -7.300529      0.254036     -0.996144
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  S      -7.339870      2.986796      2.019933
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  C      -8.221807     -6.352426      4.679353
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  H      -2.656122     -0.758615     -1.290168
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  H      -1.947040     -2.611572      0.211410
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  H      -3.653791     -1.905331      2.049912
  H      -5.630822     -3.322252      0.231365
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  H      -5.946484     -1.763341      2.708121
  H      -6.751204     -1.828617     -0.902914
  H      -7.539808      0.206033     -2.060568
  H      -7.826883      2.349052     -0.839687
  H      -7.757110      3.780645      1.007223
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  H     -10.079992     -6.900298      5.657457
  H      -9.905699     -5.149721      5.421352
  H      -8.980496     -5.965737      6.694943
  H      -8.620784     -6.416702      3.653332
  H      -7.802505     -7.338520      4.924248
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  H      -8.669376     -3.956261      3.980168
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  H      -7.273757     -3.586420      6.514841
  H      -8.809300     -1.538233      3.875077
  H      -8.908449      0.928391      4.074405
  H      -8.120645      2.078679      6.122940
  H      -7.190585      2.245121      8.254364
  H      -7.021356     -1.758027      7.805021
  H      -1.014869     -6.407806      7.777491
  H      -1.286004     -5.286039      9.123273
  H       0.290770     -5.343369      8.322728
  H      -0.990099     -3.324498      7.634139
  H      -0.582386     -4.340297      6.266264
  H      -2.821007     -3.191665      6.380776
  H      -3.402178     -5.283493      8.518468
  H      -3.707006     -3.522290      8.492562
  H      -4.709880     -5.006736      6.359537
  H      -4.787534     -7.335912      6.987540
  H      -6.296926     -9.061390      7.974420
  H      -8.202919     -8.389122      9.407209
  H      -9.605889     -6.917875     10.554389
  H      -7.054280     -4.244293      8.934662
  N      -4.998473     -2.625346      5.118774
  H      -5.260309     -3.026295      6.036838
  H      -5.795730     -2.049670      4.832362
  H      -4.240965     -1.964118      5.304367
  N      -2.436724     -2.679962      4.128977
  N      -1.677722     -1.862223      4.165300
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5658515-4aaE/orca E -7240.521261730456
  N      -3.202641     -3.927911      2.109029
  C      -2.806136     -5.047241      1.272284
  C      -2.392101     -6.183164      2.193786
  N      -3.489708     -6.421552      3.165060
  C      -4.635851     -7.079935      2.494925
  C      -5.892586     -6.881317      3.314592
  N      -5.913133     -5.539386      3.900434
  Mo     -4.169048     -4.490433      3.910720
  N      -3.033069     -5.038932      5.502573
  C      -2.388291     -6.352541      5.414262
  C      -3.062793     -7.215040      4.353511
  H      -2.452730     -6.912017      6.367600
  H      -1.306366     -6.249563      5.196104
  H      -3.977988     -7.651844      4.775330
  H      -2.406628     -8.049007      4.043747
  H      -6.759671     -7.048132      2.651660
  H      -5.953467     -7.669782      4.092916
  H      -4.754365     -6.618900      1.507397
  H      -4.421817     -8.155295      2.346294
  H      -1.938521     -4.805083      0.627015
  H      -3.602449     -5.385801      0.570661
  H      -1.507174     -5.876376      2.769947
  H      -2.152078     -7.110782      1.642121
  C      -3.201658     -0.979193     -0.354379
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  C      -3.760894     -2.787667      1.378439
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  N      -6.168491     -1.961974      1.713430
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  S      -7.363913      2.998822      2.012540
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  S      -9.124847     -5.681712     10.238619
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  H      -2.615162     -0.757796     -1.258207
  H      -2.874480     -0.286544      0.436467
  H      -4.254152     -0.751511     -0.575838
  H      -1.935091     -2.615451      0.250310
  H      -3.318875     -3.109106     -0.729085
  H      -3.672441     -1.918393      2.058629
  H      -5.634633     -3.283719      0.191505
  H      -5.449222     -3.911888      1.825323
  H      -5.949477     -1.751126      2.685653
  H      -6.725456     -1.795028     -0.935102
  H      -7.513486      0.241527     -2.085767
  H      -7.824562      2.375539     -0.854662
  H      -7.777299      3.796196      1.001057
  H      -6.457559      0.431467      2.757493
  H     -10.087140     -6.907692      5.657118
  H      -9.903101     -5.154812      5.445736
  H      -8.973658     -5.995612      6.700015
  H      -8.636041     -6.407308      3.650251
  H      -7.813835     -7.347103      4.905363
  H      -6.789917     -5.320173      5.800068
  H      -8.678178     -3.966366      3.977531
  H      -7.041303     -3.331015      3.843546
  H      -7.308365     -3.604244      6.522681
  H      -8.796104     -1.535695      3.869600
  H      -8.883401      0.931486      4.072764
  H      -8.109313      2.073038      6.131548
  H      -7.195021      2.230437      8.269067
  H      -7.048925     -1.772977      7.816796
  H      -0.973079     -6.387274      7.750994
  H      -1.250545     -5.274320      9.102671
  H       0.320294     -5.304493      8.289214
  H      -0.995738     -3.303563      7.618611
  H      -0.586813     -4.308121      6.242518
  H      -2.840275     -3.193328      6.380184
  H      -3.378998     -5.299209      8.517838
  H      -3.695178     -3.540856      8.502229
  H      -4.710163     -5.035387      6.371871
  H      -4.797782     -7.358262      7.004165
  H      -6.325107     -9.069817      7.985985
  H      -8.225387     -8.381538      9.418941
  H      -9.614088     -6.899173     10.567890
  H      -7.034223     -4.247459      8.956046
  N      -5.001774     -2.639023      5.108541
  H      -5.261749     -3.030580      6.030813
  H      -5.800290     -2.065788      4.820273
  H      -4.244517     -1.975912      5.289564
  N      -2.420006     -2.656282      4.123269
  N      -1.652260     -1.846815      4.125611
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5658515-4aaE/orca E -7240.524639129000
  N      -3.235722     -3.940844      2.115611
  C      -2.819755     -5.053367      1.276732
  C      -2.395525     -6.186726      2.196508
  N      -3.489521     -6.430373      3.169666
  C      -4.636596     -7.091597      2.504539
  C      -5.890652     -6.893602      3.328294
  N      -5.921168     -5.545036      3.898207
  Mo     -4.173894     -4.498022      3.910657
  N      -3.036095     -5.043113      5.503684
  C      -2.383517     -6.352499      5.414835
  C      -3.056697     -7.220320      4.357729
  H      -2.442029     -6.910705      6.369399
  H      -1.302873     -6.243773      5.192872
  H      -3.968960     -7.659922      4.782911
  H      -2.397604     -8.052047      4.047973
  H      -6.758868     -7.076807      2.671097
  H      -5.940186     -7.673372      4.116434
  H      -4.760329     -6.632368      1.516740
  H      -4.422430     -8.167143      2.356835
  H      -1.954301     -4.797237      0.634899
  H      -3.611236     -5.397650      0.572928
  H      -1.512716     -5.871706      2.771564
  H      -2.148504     -7.112501      1.644879
  C      -3.185741     -0.979071     -0.335514
  C      -2.997794     -2.430912      0.101637
  C      -3.774046     -2.793459      1.380488
  C      -5.313481     -2.998972      1.175471
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  C      -7.266483      0.312929     -1.044304
  C      -7.457225      1.512401     -0.355899
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  C      -6.706165      0.406153      1.672386
  C      -9.359345     -6.097892      5.679567
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  N      -5.018810     -4.708693      7.314477
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  C      -6.499317     -8.014741      8.222112
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  H      -2.583000     -0.754440     -1.227756
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  H      -6.477640      0.443949      2.740160
  H     -10.090917     -6.918643      5.659257
  H      -9.899091     -5.163926      5.470112
  H      -8.964654     -6.026496      6.705851
  H      -8.649869     -6.402070      3.649039
  H      -7.821314     -7.357060      4.888428
  H      -6.795767     -5.326172      5.799770
  H      -8.686231     -3.976166      3.975658
  H      -7.048439     -3.339952      3.841871
  H      -7.340233     -3.624359      6.530239
  H      -8.776602     -1.532848      3.865023
  H      -8.853667      0.934155      4.075612
  H      -8.098112      2.064558      6.147618
  H      -7.203946      2.210321      8.293286
  H      -7.078883     -1.792391      7.832540
  H      -0.934929     -6.368601      7.725514
  H      -1.219920     -5.264955      9.083148
  H       0.345875     -5.268968      8.259596
  H      -1.002277     -3.285208      7.605815
  H      -0.591120     -4.278247      6.221709
  H      -2.858589     -3.196208      6.379809
  H      -3.358279     -5.317523      8.514255
  H      -3.684809     -3.561702      8.511446
  H      -4.710822     -5.065003      6.381816
  H      -4.813074     -7.381363      7.021226
  H      -6.359482     -9.075047      8.002351
  H      -8.251892     -8.365780      9.435808
  H      -9.623802     -6.868355     10.584448
  H      -7.014216     -4.245347      8.973728
  N      -5.003572     -2.655096      5.098010
  H      -5.262223     -3.037925      6.023982
  H      -5.803092     -2.084751      4.806419
  H      -4.247514     -1.988980      5.274806
  N      -2.398479     -2.628774      4.118728
  N      -1.620806     -1.830494      4.081364
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5658515-4aaE/orca E -7240.527968659735
  N      -3.266484     -3.951023      2.121382
  C      -2.830584     -5.056553      1.280806
  C      -2.397519     -6.188456      2.198067
  N      -3.488003     -6.439322      3.172733
  C      -4.635961     -7.102654      2.512064
  C      -5.887417     -6.905374      3.339888
  N      -5.927728     -5.550690      3.894742
  Mo     -4.177096     -4.506118      3.910403
  N      -3.037462     -5.048668      5.504146
  C      -2.377102     -6.353709      5.413993
  C      -3.048915     -7.226278      4.359870
  H      -2.429587     -6.911278      6.369356
  H      -1.297702     -6.239388      5.188345
  H      -3.958121     -7.669104      4.788252
  H      -2.386751     -8.055497      4.049661
  H      -6.756427     -7.104724      2.688333
  H      -5.926192     -7.676678      4.137162
  H      -4.764191     -6.644453      1.524295
  H      -4.422318     -8.178428      2.364380
  H      -1.966488     -4.786903      0.643498
  H      -3.616376     -5.406024      0.573691
  H      -1.516602     -5.867202      2.772679
  H      -2.143861     -7.111403      1.644641
  C      -3.170557     -0.977106     -0.316717
  C      -2.987465     -2.429516      0.120170
  C      -3.786847     -2.796801      1.383155
  C      -5.324129     -2.987761      1.149347
  N      -6.170437     -1.923211      1.663975
  C      -6.536091     -0.789609      0.956255
  C      -6.806746     -0.814485     -0.428382
  C      -7.254624      0.338857     -1.068618
  C      -7.456629      1.534523     -0.376905
  C      -7.186456      1.563778      0.999672
  S      -7.410061      3.023244      1.985585
  C      -6.718871      0.421948      1.652883
  C      -9.357029     -6.114872      5.687043
  C      -8.243060     -6.372269      4.668963
  C      -7.128962     -5.308790      4.744115
  C      -7.730866     -3.907467      4.507311
  N      -7.920108     -3.225559      5.786534
  C      -7.974276     -1.846168      5.863202
  C      -8.430205     -1.057713      4.786862
  C      -8.467705      0.331726      4.916704
  C      -8.053215      0.968088      6.085529
  C      -7.577036      0.185069      7.151532
  S      -6.979453      0.900541      8.660888
  C      -7.532335     -1.205314      7.040807
  C      -0.716381     -5.338305      8.078552
  C      -1.204818     -4.247024      7.122105
  C      -2.689031     -4.240852      6.684872
  C      -3.663789     -4.487431      7.885869
  N      -5.009824     -4.729592      7.321625
  C      -5.815442     -5.714461      7.960894
  C      -5.643579     -7.083416      7.695212
  C      -6.526677     -8.014973      8.241360
  C      -7.584036     -7.607278      9.054605
  C      -7.753128     -6.242819      9.333054
  S      -9.113878     -5.620821     10.276982
  C      -6.858268     -5.305767      8.799447
  H      -2.551726     -0.749651     -1.197145
  H      -2.875160     -0.286647      0.488453
  H      -4.214610     -0.750690     -0.576246
  H      -1.920040     -2.610280      0.326429
  H      -3.264278     -3.104359     -0.707844
  H      -3.712729     -1.936781      2.075558
  H      -5.636871     -3.206340      0.117972
  H      -5.535486     -3.901578      1.733952
  H      -5.965458     -1.725205      2.641416
  H      -6.680037     -1.735114     -0.997407
  H      -7.461262      0.304374     -2.140419
  H      -7.815946      2.423787     -0.895340
  H      -7.814260      3.826456      0.975085
  H      -6.498067      0.456541      2.722251
  H     -10.091929     -6.932488      5.662167
  H      -9.894373     -5.176276      5.492345
  H      -8.955027     -6.057167      6.711497
  H      -8.661732     -6.400921      3.648838
  H      -7.825016     -7.367774      4.873577
  H      -6.800262     -5.332109      5.798310
  H      -8.693501     -3.986211      3.973341
  H      -7.054362     -3.350391      3.839269
  H      -7.368488     -3.644299      6.535479
  H      -8.753647     -1.529846      3.859444
  H      -8.821650      0.936385      4.078998
  H      -8.086447      2.055019      6.165024
  H      -7.213583      2.188232      8.319518
  H      -7.108198     -1.813147      7.847653
  H      -0.900361     -6.353257      7.701965
  H      -1.193693     -5.259289      9.065591
  H       0.367949     -5.238433      8.234486
  H      -1.009148     -3.270772      7.596242
  H      -0.594892     -4.252265      6.204472
  H      -2.875113     -3.201092      6.380194
  H      -3.339854     -5.339178      8.508205
  H      -3.675398     -3.585466      8.520716
  H      -4.711712     -5.095707      6.389892
  H      -4.833372     -7.405269      7.038616
  H      -6.400333     -9.077229      8.022855
  H      -8.282785     -8.342096      9.456808
  H      -9.635416     -6.825644     10.603062
  H      -6.993778     -4.238440      8.988159
  N      -5.002805     -2.672592      5.088108
  H      -5.260761     -3.047754      6.017347
  H      -5.802833     -2.104991      4.792262
  H      -4.248125     -2.003287      5.260935
  N      -2.370216     -2.597114      4.116445
  N      -1.581690     -1.814162      4.033584
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5658515-4aaE/orca E -7240.530282321472
  N      -3.286935     -3.957975      2.132096
  C      -2.843632     -5.056784      1.286656
  C      -2.405173     -6.190524      2.197559
  N      -3.491708     -6.446758      3.172638
  C      -4.644254     -7.102761      2.516340
  C      -5.889164     -6.906295      3.353643
  N      -5.932387     -5.549187      3.899538
  Mo     -4.174671     -4.515984      3.914829
  N      -3.030590     -5.064190      5.502965
  C      -2.370579     -6.366927      5.405454
  C      -3.049766     -7.236405      4.354613
  H      -2.416986     -6.926429      6.359989
  H      -1.292732     -6.252352      5.172561
  H      -3.957808     -7.677587      4.787079
  H      -2.390755     -8.066502      4.040045
  H      -6.761750     -7.114706      2.709535
  H      -5.917822     -7.672904      4.155998
  H      -4.778064     -6.639667      1.531556
  H      -4.436054     -8.178752      2.362314
  H      -1.981779     -4.778465      0.650747
  H      -3.629002     -5.405430      0.579136
  H      -1.524107     -5.868538      2.771509
  H      -2.149866     -7.110043      1.639265
  C      -3.160773     -0.970369     -0.289548
  C      -2.983083     -2.424565      0.143537
  C      -3.794808     -2.796204      1.397572
  C      -5.331452     -2.973633      1.150128
  N      -6.165761     -1.901751      1.671351
  C      -6.527769     -0.766750      0.963717
  C      -6.797029     -0.790287     -0.421403
  C      -7.240153      0.364388     -1.062544
  C      -7.437773      1.561227     -0.371908
  C      -7.167895      1.590045      1.004674
  S      -7.384224      3.051385      1.989256
  C      -6.706013      0.446591      1.659046
  C      -9.349578     -6.120669      5.707089
  C      -8.240171     -6.375649      4.683437
  C      -7.132153     -5.305800      4.749207
  C      -7.744666     -3.911404      4.498441
  N      -7.941005     -3.216549      5.769716
  C      -8.006493     -1.837648      5.834611
  C      -8.460909     -1.063248      4.747401
  C      -8.512324      0.326970      4.863488
  C      -8.113905      0.978126      6.029625
  C      -7.640387      0.209451      7.107191
  S      -7.066117      0.944495      8.615988
  C      -7.581577     -1.181408      7.009983
  C      -0.684070     -5.354399      8.051257
  C      -1.187370     -4.259412      7.106847
  C      -2.675141     -4.260157      6.681918
  C      -3.638454     -4.521037      7.887747
  N      -4.987557     -4.757341      7.330202
  C      -5.798125     -5.733922      7.975805
  C      -5.643761     -7.104372      7.706821
  C      -6.533583     -8.026974      8.257294
  C      -7.580329     -7.609120      9.078989
  C      -7.731780     -6.243437      9.361509
  S      -9.077433     -5.608501     10.318229
  C      -6.830604     -5.315373      8.822523
  H      -2.533291     -0.741023     -1.163229
  H      -2.872058     -0.282912      0.520524
  H      -4.201837     -0.741478     -0.558241
  H      -1.917855     -2.606429      0.359659
  H      -3.252540     -3.095710     -0.689780
  H      -3.720596     -1.941168      2.095732
  H      -5.641231     -3.169914      0.113500
  H      -5.564249     -3.891994      1.720838
  H      -5.958628     -1.708225      2.648991
  H      -6.674342     -1.711371     -0.990428
  H      -7.445979      0.329938     -2.134429
  H      -7.793216      2.451554     -0.891029
  H      -7.784056      3.855982      0.978275
  H      -6.484076      0.482286      2.727942
  H     -10.082927     -6.939672      5.686864
  H      -9.889592     -5.183138      5.514782
  H      -8.941705     -6.061437      6.728942
  H      -8.664730     -6.408208      3.665812
  H      -7.816150     -7.368717      4.887383
  H      -6.800558     -5.314724      5.802945
  H      -8.705962     -4.002980      3.963974
  H      -7.069612     -3.356859      3.826753
  H      -7.399078     -3.630801      6.527983
  H      -8.773574     -1.547143      3.822302
  H      -8.865647      0.920122      4.017417
  H      -8.158377      2.065286      6.098876
  H      -7.297784      2.227405      8.255889
  H      -7.162332     -1.777019      7.827662
  H      -0.863033     -6.367702      7.668186
  H      -1.155295     -5.286256      9.041964
  H       0.400443     -5.247376      8.200611
  H      -0.994451     -3.285672      7.587146
  H      -0.585267     -4.253500      6.184061
  H      -2.871199     -3.219926      6.384374
  H      -3.309041     -5.379537      8.498110
  H      -3.644437     -3.626763      8.533173
  H      -4.700375     -5.127487      6.396235
  H      -4.841330     -7.434589      7.044741
  H      -6.420603     -9.090048      8.035856
  H      -8.284375     -8.336772      9.484773
  H      -9.612923     -6.807763     10.641798
  H      -6.952983     -4.247032      9.014511
  N      -4.987645     -2.696106      5.094549
  H      -5.243289     -3.068038      6.026123
  H      -5.787765     -2.128290      4.799535
  H      -4.232181     -2.026218      5.264266
  N      -2.344679     -2.590995      4.120764
  N      -1.547168     -1.821164      4.007057
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5658515-4aaE/orca E -7240.536275207933
  N      -3.304963     -3.969591      2.126542
  C      -2.854533     -5.072638      1.279500
  C      -2.411887     -6.212282      2.187458
  N      -3.494200     -6.470524      3.173103
  C      -4.652644     -7.131113      2.526837
  C      -5.894436     -6.923669      3.371454
  N      -5.939577     -5.554971      3.902122
  Mo     -4.170712     -4.520153      3.916398
  N      -3.020317     -5.072427      5.504695
  C      -2.358318     -6.381131      5.407582
  C      -3.041815     -7.258396      4.358523
  H      -2.400958     -6.936851      6.364083
  H      -1.281726     -6.266511      5.170119
  H      -3.947745     -7.698778      4.796776
  H      -2.383034     -8.088304      4.044231
  H      -6.769670     -7.142343      2.734115
  H      -5.919036     -7.678736      4.185336
  H      -4.790518     -6.673721      1.539660
  H      -4.448699     -8.208307      2.378359
  H      -1.994111     -4.791263      0.644034
  H      -3.640655     -5.420532      0.573026
  H      -1.527581     -5.891228      2.756935
  H      -2.159501     -7.130019      1.625621
  C      -3.145004     -0.973484     -0.289617
  C      -2.974900     -2.428840      0.142299
  C      -3.798903     -2.799000      1.388593
  C      -5.336344     -2.956718      1.126806
  N      -6.159457     -1.880573      1.657485
  C      -6.517233     -0.735589      0.964304
  C      -6.769653     -0.733569     -0.424303
  C      -7.207964      0.432075     -1.048835
  C      -7.416765      1.615528     -0.338764
  C      -7.164319      1.619141      1.041384
  S      -7.395688      3.061525      2.050224
  C      -6.708180      0.464588      1.680054
  C      -9.350865     -6.161366      5.712752
  C      -8.241346     -6.404668      4.686137
  C      -7.146723     -5.322401      4.750695
  C      -7.781414     -3.938960      4.496149
  N      -7.971051     -3.232460      5.761603
  C      -8.043037     -1.854410      5.817378
  C      -8.513822     -1.089099      4.729953
  C      -8.571144      0.302087      4.837619
  C      -8.160917      0.962682      5.994041
  C      -7.667741      0.203384      7.069888
  S      -7.075403      0.951253      8.564926
  C      -7.603325     -1.187593      6.981552
  C      -0.661071     -5.352999      8.046101
  C      -1.169339     -4.259991      7.102167
  C      -2.658619     -4.264432      6.682105
  C      -3.617890     -4.524466      7.891444
  N      -4.968859     -4.757156      7.339481
  C      -5.787465     -5.722533      7.992764
  C      -5.648584     -7.095230      7.725013
  C      -6.548034     -8.007775      8.276225
  C      -7.590584     -7.578119      9.097134
  C      -7.726870     -6.210878      9.378873
  S      -9.067950     -5.560406     10.330587
  C      -6.814575     -5.292734      8.840815
  H      -2.509935     -0.744939     -1.157685
  H      -2.860692     -0.288162      0.523556
  H      -4.183152     -0.740944     -0.566183
  H      -1.912287     -2.614013      0.367628
  H      -3.239398     -3.097510     -0.694384
  H      -3.721657     -1.947566      2.090645
  H      -5.641962     -3.129341      0.084121
  H      -5.599579     -3.877457      1.678534
  H      -5.958196     -1.701460      2.638727
  H      -6.638288     -1.643201     -1.009473
  H      -7.400416      0.417300     -2.123440
  H      -7.767980      2.514303     -0.845587
  H      -7.788179      3.883630      1.050826
  H      -6.501558      0.479096      2.753103
  H     -10.077321     -6.986208      5.692556
  H      -9.898759     -5.228127      5.522395
  H      -8.942520     -6.099718      6.734328
  H      -8.668675     -6.440875      3.669419
  H      -7.804811     -7.392904      4.887591
  H      -6.813676     -5.322460      5.803715
  H      -8.745874     -4.046417      3.969352
  H      -7.116919     -3.384141      3.815446
  H      -7.424664     -3.641610      6.519608
  H      -8.839099     -1.580786      3.812987
  H      -8.941361      0.887350      3.993284
  H      -8.210900      2.049737      6.057486
  H      -7.313158      2.230994      8.198253
  H      -7.165763     -1.774791      7.795663
  H      -0.838630     -6.366865      7.664335
  H      -1.130253     -5.284879      9.037576
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  H      -0.976652     -3.285749      7.581240
  H      -0.570569     -4.253912      6.177300
  H      -2.858564     -3.225045      6.382024
  H      -3.287820     -5.384993      8.498730
  H      -3.622312     -3.631266      8.538421
  H      -4.693107     -5.139329      6.408102
  H      -4.850230     -7.435043      7.062638
  H      -6.446679     -9.071857      8.055171
  H      -8.303234     -8.297475      9.502057
  H      -9.618661     -6.752919     10.652903
  H      -6.926323     -4.223566      9.034079
  N      -4.967075     -2.687660      5.094913
  H      -5.222577     -3.053237      6.028938
  H      -5.763342     -2.116181      4.798544
  H      -4.206309     -2.020307      5.258201
  N      -2.269039     -2.537127      4.117599
  N      -1.456862     -1.794450      3.949238
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5658515-4aaE/orca E -7240.537756451586
  N      -3.321277     -3.969978      2.129559
  C      -2.848672     -5.068858      1.288688
  C      -2.399429     -6.200822      2.202494
  N      -3.486171     -6.467786      3.179892
  C      -4.637830     -7.134224      2.526927
  C      -5.884550     -6.934989      3.366600
  N      -5.943719     -5.564149      3.889483
  Mo     -4.180399     -4.520960      3.912509
  N      -3.035804     -5.060584      5.509926
  C      -2.363615     -6.363939      5.419288
  C      -3.037091     -7.248895      4.370358
  H      -2.406043     -6.917081      6.377357
  H      -1.286914     -6.242354      5.185365
  H      -3.943330     -7.691959      4.805317
  H      -2.372201     -8.076601      4.062903
  H      -6.755690     -7.166481      2.728189
  H      -5.903028     -7.686064      4.184378
  H      -4.773716     -6.676241      1.539675
  H      -4.427847     -8.210354      2.378020
  H      -1.987003     -4.777097      0.659894
  H      -3.625068     -5.427679      0.577189
  H      -1.523128     -5.868314      2.777946
  H      -2.132531     -7.116960      1.644631
  C      -3.147660     -0.973922     -0.287312
  C      -2.970261     -2.426587      0.150775
  C      -3.810544     -2.801661      1.384462
  C      -5.343796     -2.963776      1.098905
  N      -6.174964     -1.888519      1.621412
  C      -6.543150     -0.749949      0.924814
  C      -6.776161     -0.748670     -0.467309
  C      -7.226764      0.410787     -1.094804
  C      -7.467102      1.588417     -0.384777
  C      -7.234474      1.592474      0.998964
  S      -7.506960      3.027324      2.008608
  C      -6.766616      0.444550      1.640922
  C      -9.364588     -6.156686      5.686458
  C      -8.260089     -6.397282      4.653741
  C      -7.152071     -5.330123      4.734428
  C      -7.763148     -3.933814      4.489710
  N      -7.955159     -3.242443      5.763005
  C      -7.983443     -1.864636      5.844416
  C      -8.393831     -1.061675      4.759419
  C      -8.406315      0.328310      4.894966
  C      -8.010282      0.950697      6.077392
  C      -7.578789      0.152902      7.152098
  S      -7.012383      0.849206      8.681863
  C      -7.559234     -1.237388      7.036276
  C      -0.674519     -5.306005      8.050838
  C      -1.197190     -4.219751      7.106903
  C      -2.685527     -4.245439      6.685197
  C      -3.642810     -4.517838      7.892651
  N      -4.989388     -4.761599      7.337261
  C      -5.808680     -5.723808      7.993904
  C      -5.669654     -7.097665      7.731743
  C      -6.571766     -8.007640      8.282971
  C      -7.616975     -7.574362      9.098757
  C      -7.753236     -6.205991      9.375092
  S      -9.096351     -5.551214     10.321402
  C      -6.838876     -5.290199      8.836397
  H      -2.500926     -0.741286     -1.145797
  H      -2.882956     -0.283708      0.528486
  H      -4.183388     -0.751711     -0.581128
  H      -1.909579     -2.600736      0.393736
  H      -3.214779     -3.099648     -0.688550
  H      -3.747829     -1.950270      2.087753
  H      -5.635874     -3.128633      0.051476
  H      -5.620838     -3.885816      1.642215
  H      -5.984884     -1.705919      2.604208
  H      -6.620778     -1.653923     -1.053468
  H      -7.403813      0.395547     -2.172178
  H      -7.827786      2.482093     -0.894182
  H      -7.896094      3.846332      1.005185
  H      -6.576911      0.458783      2.717129
  H     -10.104545     -6.969102      5.651095
  H      -9.897391     -5.210858      5.515626
  H      -8.954115     -6.122266      6.708528
  H      -8.689346     -6.410134      3.637221
  H      -7.836388     -7.394517      4.837235
  H      -6.824589     -5.344338      5.789463
  H      -8.722107     -4.017277      3.949094
  H      -7.080350     -3.381381      3.825018
  H      -7.447213     -3.684280      6.529180
  H      -8.706866     -1.522973      3.822574
  H      -8.729025      0.943262      4.052087
  H      -8.024691      2.037451      6.162406
  H      -7.179414      2.144157      8.329278
  H      -7.172368     -1.856438      7.852915
  H      -0.835816     -6.322158      7.667650
  H      -1.147152     -5.246070      9.041346
  H       0.407832     -5.180169      8.200687
  H      -1.019099     -3.243164      7.587112
  H      -0.597441     -4.204297      6.182626
  H      -2.900161     -3.209633      6.383278
  H      -3.305232     -5.377064      8.497998
  H      -3.657400     -3.626621      8.542493
  H      -4.711873     -5.149575      6.408196
  H      -4.868800     -7.440702      7.073931
  H      -6.470271     -9.072693      8.066091
  H      -8.331704     -8.291800      9.503717
  H      -9.651495     -6.742180     10.642390
  H      -6.951329     -4.220226      9.024948
  N      -4.993904     -2.694574      5.076337
  H      -5.250894     -3.056846      6.012419
  H      -5.793123     -2.130870      4.772791
  H      -4.239466     -2.019526      5.238979
  N      -2.275379     -2.503459      4.115731
  N      -1.464019     -1.766488      3.925535
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5658515-4aaE/orca E -7240.538900578857
  N      -3.328387     -3.972467      2.119565
  C      -2.832774     -5.069286      1.288589
  C      -2.383743     -6.194346      2.211334
  N      -3.477717     -6.467195      3.178507
  C      -4.623010     -7.137949      2.516774
  C      -5.875212     -6.943565      3.350414
  N      -5.944620     -5.569982      3.865951
  Mo     -4.187086     -4.520261      3.897833
  N      -3.051383     -5.047254      5.505000
  C      -2.370308     -6.346884      5.423449
  C      -3.034653     -7.240774      4.375843
  H      -2.413288     -6.895588      6.384068
  H      -1.293460     -6.220008      5.193120
  H      -3.942360     -7.683796      4.807527
  H      -2.365134     -8.068206      4.077682
  H      -6.743172     -7.186023      2.711809
  H      -5.889298     -7.690297      4.172294
  H      -4.754898     -6.678636      1.529658
  H      -4.408941     -8.213346      2.367269
  H      -1.966347     -4.770179      0.670133
  H      -3.596656     -5.437760      0.568877
  H      -1.516171     -5.852737      2.794612
  H      -2.103345     -7.109927      1.659164
  C      -3.141771     -0.979517     -0.302339
  C      -2.953425     -2.427647      0.146099
  C      -3.811664     -2.807056      1.365847
  C      -5.340147     -2.972941      1.054821
  N      -6.176959     -1.896556      1.566318
  C      -6.551491     -0.766926      0.860106
  C      -6.775405     -0.774026     -0.533599
  C      -7.231446      0.379013     -1.169089
  C      -7.484936      1.558240     -0.466376
  C      -7.259961      1.570981      0.918653
  S      -7.548156      3.009092      1.919454
  C      -6.787949      0.429586      1.569075
  C      -9.351885     -6.149781      5.691839
  C      -8.267683     -6.385268      4.636238
  C      -7.142585     -5.336597      4.723270
  C      -7.733541     -3.926881      4.507539
  N      -7.923018     -3.266462      5.796958
  C      -7.933246     -1.891556      5.918256
  C      -8.322490     -1.050493      4.853613
  C      -8.326623      0.334522      5.034785
  C      -7.940487      0.915191      6.241351
  C      -7.530604      0.079568      7.295702
  S      -6.985070      0.721259      8.856615
  C      -7.522221     -1.306423      7.136083
  C      -0.693783     -5.260545      8.048985
  C      -1.227434     -4.180113      7.104525
  C      -2.713943     -4.224623      6.678508
  C      -3.672034     -4.508180      7.882168
  N      -5.015179     -4.756391      7.321467
  C      -5.841424     -5.709685      7.981621
  C      -5.712070     -7.085230      7.723105
  C      -6.620393     -7.987561      8.276436
  C      -7.661696     -7.545098      9.091992
  C      -7.788420     -6.175177      9.364807
  S      -9.122988     -5.510296     10.316052
  C      -6.869232     -5.266385      8.821922
  H      -2.482358     -0.742382     -1.149862
  H      -2.901449     -0.281897      0.514704
  H      -4.174721     -0.772479     -0.616321
  H      -1.895333     -2.586840      0.409757
  H      -3.173512     -3.107873     -0.694157
  H      -3.764170     -1.955270      2.069756
  H      -5.615059     -3.133093      0.002160
  H      -5.633520     -3.894810      1.590477
  H      -5.995307     -1.707540      2.549404
  H      -6.609750     -1.680526     -1.114909
  H      -7.401875      0.357296     -2.247413
  H      -7.849473      2.446590     -0.982286
  H      -7.945526      3.817786      0.910881
  H      -6.604473      0.449823      2.646711
  H     -10.108950     -6.945839      5.647085
  H      -9.867370     -5.189139      5.553467
  H      -8.926148     -6.150235      6.708525
  H      -8.713040     -6.368487      3.626728
  H      -7.856827     -7.392797      4.790308
  H      -6.806968     -5.373547      5.775757
  H      -8.690727     -3.987215      3.960702
  H      -7.040805     -3.365297      3.860019
  H      -7.436610     -3.740724      6.558156
  H      -8.629715     -1.478491      3.899215
  H      -8.636154      0.979021      4.209333
  H      -7.948420      1.998681      6.361603
  H      -7.118058      2.028727      8.537172
  H      -7.159828     -1.955211      7.940786
  H      -0.839363     -6.278158      7.663472
  H      -1.171709     -5.208808      9.037426
  H       0.386033     -5.120047      8.204000
  H      -1.063277     -3.201824      7.586290
  H      -0.625111     -4.156160      6.182021
  H      -2.940627     -3.191967      6.373599
  H      -3.330261     -5.369313      8.482710
  H      -3.694045     -3.621220      8.537612
  H      -4.736186     -5.152646      6.397338
  H      -4.913269     -7.435548      7.066555
  H      -6.526194     -9.053840      8.062347
  H      -8.380591     -8.256648      9.499939
  H      -9.687487     -6.696888     10.637073
  H      -6.974768     -4.195221      9.007708
  N      -5.014899     -2.694325      5.045207
  H      -5.275197     -3.051445      5.980950
  H      -5.815119     -2.135958      4.734176
  H      -4.263834     -2.014337      5.207011
  N      -2.269036     -2.463064      4.104083
  N      -1.454976     -1.736432      3.889447
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5658515-4aaE/orca E -7240.540189282543
  N      -3.325750     -3.967738      2.122057
  C      -2.815923     -5.060980      1.293735
  C      -2.372119     -6.188237      2.217700
  N      -3.470454     -6.469827      3.178835
  C      -4.613253     -7.141958      2.511485
  C      -5.868609     -6.951922      3.342159
  N      -5.943108     -5.576828      3.855374
  Mo     -4.187556     -4.522525      3.897867
  N      -3.055737     -5.048000      5.508545
  C      -2.367044     -6.344904      5.426294
  C      -3.027863     -7.241862      4.378162
  H      -2.406663     -6.894278      6.386748
  H      -1.291023     -6.212284      5.195248
  H      -3.935436     -7.685891      4.808802
  H      -2.356037     -8.068405      4.082354
  H      -6.734288     -7.199103      2.702307
  H      -5.881591     -7.697531      4.165107
  H      -4.743229     -6.677930      1.526447
  H      -4.397866     -8.216746      2.357387
  H      -1.943716     -4.756741      0.685865
  H      -3.570410     -5.430248      0.564881
  H      -1.509392     -5.846330      2.808010
  H      -2.084656     -7.100848      1.663991
  C      -3.153015     -0.961360     -0.286265
  C      -2.944258     -2.406284      0.163444
  C      -3.811077     -2.800553      1.371625
  C      -5.335002     -2.974360      1.043299
  N      -6.186098     -1.904874      1.547075
  C      -6.575097     -0.782200      0.838985
  C      -6.787969     -0.789727     -0.556399
  C      -7.259042      0.357242     -1.192128
  C      -7.538812      1.529823     -0.488037
  C      -7.326027      1.542184      0.899040
  S      -7.649223      2.971433      1.901994
  C      -6.839571      0.407136      1.549814
  C      -9.365656     -6.134572      5.661902
  C      -8.279169     -6.376266      4.610242
  C      -7.144629     -5.338485      4.705591
  C      -7.716015     -3.920693      4.487493
  N      -7.911028     -3.263308      5.777671
  C      -7.890734     -1.889841      5.910565
  C      -8.234510     -1.028506      4.846250
  C      -8.214873      0.354187      5.044920
  C      -7.846147      0.912592      6.267343
  C      -7.480353      0.056193      7.321366
  S      -6.964838      0.667561      8.904559
  C      -7.498676     -1.327633      7.145633
  C      -0.702861     -5.253691      8.054416
  C      -1.243251     -4.171428      7.115797
  C      -2.728039     -4.225950      6.686064
  C      -3.686426     -4.524298      7.885225
  N      -5.028956     -4.766117      7.320569
  C      -5.861669     -5.711851      7.983474
  C      -5.750117     -7.087734      7.718567
  C      -6.660083     -7.982508      8.281349
  C      -7.684167     -7.532203      9.114462
  C      -7.792989     -6.161934      9.393455
  S      -9.100379     -5.487772     10.375862
  C      -6.874128     -5.260311      8.837884
  H      -2.487027     -0.711126     -1.124971
  H      -2.936496     -0.260340      0.534604
  H      -4.185620     -0.773290     -0.613448
  H      -1.887018     -2.547262      0.440863
  H      -3.141565     -3.089794     -0.679809
  H      -3.776250     -1.953301      2.081785
  H      -5.592891     -3.131593     -0.013914
  H      -5.634133     -3.898028      1.569686
  H      -6.013730     -1.710710      2.530960
  H      -6.601783     -1.691510     -1.138965
  H      -7.420455      0.335907     -2.271964
  H      -7.914923      2.413231     -1.004373
  H      -8.058981      3.774089      0.893411
  H      -6.668851      0.424774      2.629606
  H     -10.133148     -6.920174      5.607339
  H      -9.867424     -5.165995      5.527690
  H      -8.945637     -6.148139      6.680715
  H      -8.720720     -6.351049      3.599242
  H      -7.877979     -7.388175      4.761244
  H      -6.815908     -5.380606      5.760276
  H      -8.665703     -3.965857      3.926646
  H      -7.006859     -3.365358      3.852551
  H      -7.452413     -3.754283      6.545071
  H      -8.529020     -1.438546      3.880032
  H      -8.492708      1.014748      4.220799
  H      -7.835417      1.994621      6.400925
  H      -7.044141      1.981206      8.592245
  H      -7.176477     -1.993961      7.953408
  H      -0.837127     -6.269786      7.660596
  H      -1.185356     -5.214050      9.041335
  H       0.375023     -5.104029      8.215017
  H      -1.088702     -3.194861      7.604404
  H      -0.638679     -4.136610      6.194963
  H      -2.962480     -3.194318      6.384627
  H      -3.343630     -5.394455      8.472299
  H      -3.710810     -3.647171      8.553922
  H      -4.750172     -5.165457      6.397833
  H      -4.963212     -7.443863      7.050799
  H      -6.579720     -9.049139      8.062786
  H      -8.403072     -8.238088      9.532426
  H      -9.673512     -6.669756     10.699069
  H      -6.965414     -4.189009      9.030023
  N      -5.020758     -2.697310      5.043926
  H      -5.282851     -3.057020      5.979074
  H      -5.820805     -2.139278      4.731394
  H      -4.270389     -2.016026      5.206780
  N      -2.252478     -2.429629      4.113890
  N      -1.435358     -1.714449      3.879717
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5658515-4aaE/orca E -7240.541943914960
  N      -3.313613     -3.956851      2.123274
  C      -2.789120     -5.045447      1.296918
  C      -2.356776     -6.179679      2.219889
  N      -3.462126     -6.473022      3.171464
  C      -4.602437     -7.141970      2.494004
  C      -5.860450     -6.958101      3.322848
  N      -5.937878     -5.583107      3.841728
  Mo     -4.183664     -4.523181      3.896141
  N      -3.055675     -5.052557      5.507538
  C      -2.361046     -6.348705      5.421476
  C      -3.021319     -7.246543      4.371825
  H      -2.396451     -6.900324      6.380719
  H      -1.286208     -6.211321      5.187970
  H      -3.929850     -7.689540      4.801185
  H      -2.349499     -8.073678      4.077443
  H      -6.724775     -7.205871      2.681565
  H      -5.872240     -7.706617      4.143076
  H      -4.729466     -6.666338      1.514071
  H      -4.387755     -8.215585      2.328721
  H      -1.907578     -4.736860      0.704465
  H      -3.532120     -5.411350      0.555004
  H      -1.499719     -5.842481      2.821085
  H      -2.062625     -7.087237      1.661179
  C      -3.162990     -0.933036     -0.264334
  C      -2.927081     -2.373005      0.187577
  C      -3.804017     -2.786880      1.380332
  C      -5.322095     -2.969211      1.031339
  N      -6.190516     -1.908612      1.525502
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  C      -6.806062     -0.807725     -0.581987
  C      -7.295536      0.330635     -1.219400
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  C      -7.394749      1.513283      0.872090
  S      -7.748871      2.936006      1.873732
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  C      -9.344497     -6.144345      5.686478
  C      -8.276731     -6.379871      4.613724
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  C      -7.698844     -3.924764      4.486346
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  C      -7.850522     -1.894391      5.913628
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  C      -8.136421      0.357708      5.056128
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  S      -6.926865      0.636443      8.931040
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  C      -0.713430     -5.260128      8.061927
  C      -1.259163     -4.173107      7.131760
  C      -2.741120     -4.236431      6.694562
  C      -3.702056     -4.555907      7.885137
  N      -5.045218     -4.778034      7.312148
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  C      -5.822468     -7.082654      7.690216
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  C      -7.741374     -7.496802      9.114735
  C      -7.812338     -6.127559      9.410181
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  H      -2.488304     -0.664816     -1.090500
  H      -2.979568     -0.228352      0.561463
  H      -4.194102     -0.771059     -0.609847
  H      -1.871687     -2.490271      0.482992
  H      -3.094537     -3.060504     -0.658817
  H      -3.783635     -1.946869      2.099892
  H      -5.556196     -3.123780     -0.031700
  H      -5.628293     -3.895304      1.545012
  H      -6.027093     -1.706218      2.509453
  H      -6.600333     -1.705930     -1.163644
  H      -7.451962      0.306809     -2.300006
  H      -7.989254      2.374434     -1.034141
  H      -8.165466      3.732447      0.862928
  H      -6.729580      0.404414      2.606004
  H     -10.121097     -6.921063      5.630992
  H      -9.837717     -5.168436      5.575040
  H      -8.910118     -6.179079      6.699678
  H      -8.735976     -6.344216      3.611049
  H      -7.876120     -7.394357      4.747940
  H      -6.800445     -5.394316      5.751823
  H      -8.645960     -3.962027      3.920863
  H      -6.982672     -3.372021      3.857124
  H      -7.449190     -3.767385      6.546685
  H      -8.462656     -1.425073      3.878919
  H      -8.399966      1.025722      4.233368
  H      -7.750343      1.987064      6.423771
  H      -6.958899      1.951633      8.616622
  H      -7.167032     -2.017038      7.965819
  H      -0.832977     -6.272897      7.655008
  H      -1.204082     -5.237727      9.045492
  H       0.361467     -5.100055      8.232762
  H      -1.116165     -3.200231      7.631301
  H      -0.650077     -4.123582      6.214448
  H      -2.982400     -3.204281      6.400642
  H      -3.362705     -5.443739      8.447606
  H      -3.725277     -3.696960      8.577035
  H      -4.768958     -5.181496      6.392931
  H      -5.054788     -7.448910      7.005696
  H      -6.693453     -9.027589      8.025716
  H      -8.468419     -8.190317      9.539554
  H      -9.678591     -6.605771     10.746820
  H      -6.947498     -4.170158      9.051410
  N      -5.015932     -2.695726      5.045556
  H      -5.280917     -3.061856      5.977454
  H      -5.813964     -2.134167      4.733452
  H      -4.263160     -2.016599      5.210916
  N      -2.213200     -2.375743      4.128900
  N      -1.388480     -1.682555      3.864220
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5658515-4aaE/orca E -7240.532262141824
  N      -3.350146     -3.968579      2.144713
  C      -2.821153     -5.038394      1.317511
  C      -2.383727     -6.168070      2.230238
  N      -3.474638     -6.466109      3.179835
  C      -4.611505     -7.128676      2.516475
  C      -5.856293     -6.945463      3.347974
  N      -5.939121     -5.578643      3.849863
  Mo     -4.183418     -4.536135      3.900677
  N      -3.055168     -5.067955      5.499801
  C      -2.363440     -6.348117      5.406067
  C      -3.026150     -7.235479      4.364944
  H      -2.392066     -6.903055      6.364058
  H      -1.290204     -6.208405      5.166304
  H      -3.929837     -7.682138      4.799397
  H      -2.353936     -8.059672      4.062274
  H      -6.722446     -7.203053      2.713420
  H      -5.859555     -7.687171      4.174614
  H      -4.745750     -6.654627      1.537349
  H      -4.399209     -8.203363      2.351937
  H      -1.942795     -4.718906      0.726758
  H      -3.562493     -5.402585      0.573817
  H      -1.524757     -5.831761      2.829165
  H      -2.089487     -7.071928      1.665387
  C      -3.144459     -0.934799     -0.215846
  C      -2.920200     -2.377462      0.232290
  C      -3.819621     -2.794662      1.405977
  C      -5.332129     -2.953854      1.026380
  N      -6.189727     -1.886394      1.528404
  C      -6.584002     -0.766921      0.821640
  C      -6.764054     -0.764309     -0.578354
  C      -7.240089      0.380541     -1.214346
  C      -7.556468      1.541422     -0.506846
  C      -7.378804      1.542589      0.885195
  S      -7.748526      2.956687      1.893603
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  C      -9.324775     -6.181294      5.705735
  C      -8.257553     -6.399679      4.628437
  C      -7.131983     -5.350635      4.709638
  C      -7.721996     -3.939237      4.493718
  N      -7.902201     -3.259370      5.774143
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  C      -8.246672     -1.041461      4.820605
  C      -8.234666      0.343603      5.000454
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  C      -7.459274      0.082101      7.266476
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  C      -1.249608     -4.189953      7.104367
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  N      -5.025278     -4.813468      7.316612
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  C      -5.821648     -7.107907      7.704711
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  C      -7.791145     -6.130005      9.433325
  S      -9.043892     -5.422169     10.461172
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  H      -2.454438     -0.664571     -1.028832
  H      -2.973486     -0.234538      0.616544
  H      -4.168741     -0.767331     -0.578530
  H      -1.870538     -2.498466      0.546406
  H      -3.073955     -3.059755     -0.620922
  H      -3.803787     -1.961469      2.132698
  H      -5.560858     -3.078438     -0.040948
  H      -5.667246     -3.885607      1.516054
  H      -6.036687     -1.699662      2.517202
  H      -6.548643     -1.656257     -1.166004
  H      -7.374874      0.366861     -2.298235
  H      -7.934672      2.423828     -1.023935
  H      -8.148939      3.762032      0.883258
  H      -6.751428      0.417308      2.619556
  H     -10.092264     -6.967215      5.650865
  H      -9.830480     -5.211087      5.600071
  H      -8.884948     -6.214110      6.717586
  H      -8.720283     -6.367957      3.627230
  H      -7.842949     -7.408785      4.759381
  H      -6.790174     -5.389709      5.762084
  H      -8.679373     -4.002643      3.948702
  H      -7.028380     -3.386213      3.840350
  H      -7.448088     -3.740644      6.546947
  H      -8.560664     -1.467045      3.867458
  H      -8.537069      0.990555      4.173932
  H      -7.845782      2.005642      6.328029
  H      -6.985418      2.025844      8.494024
  H      -7.134145     -1.956254      7.920502
  H      -0.806538     -6.290538      7.611039
  H      -1.170693     -5.265616      9.011004
  H       0.386837     -5.114259      8.184810
  H      -1.106706     -3.219151      7.608371
  H      -0.650357     -4.131844      6.180815
  H      -2.985382     -3.228648      6.393972
  H      -3.332780     -5.477073      8.438089
  H      -3.697814     -3.731422      8.574635
  H      -4.762142     -5.221918      6.398719
  H      -5.061857     -7.483662      7.016397
  H      -6.712439     -9.043274      8.044728
  H      -8.471515     -8.185094      9.566118
  H      -9.657260     -6.585891     10.777203
  H      -6.904671     -4.183653      9.072630
  N      -4.991876     -2.728549      5.035394
  H      -5.259875     -3.081675      5.969553
  H      -5.786793     -2.163205      4.720971
  H      -4.235402     -2.054621      5.196089
  N      -2.207929     -2.393955      4.124127
  N      -1.383745     -1.715614      3.831622
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5658515-4aaE/orca E -7240.546201175515
  N      -3.345865     -3.964038      2.150368
  C      -2.805856     -5.026810      1.324349
  C      -2.377269     -6.162325      2.233047
  N      -3.471014     -6.470059      3.174520
  C      -4.606435     -7.128274      2.505798
  C      -5.851986     -6.948291      3.335315
  N      -5.934628     -5.583497      3.841492
  Mo     -4.179342     -4.541078      3.900451
  N      -3.051566     -5.077230      5.495870
  C      -2.356717     -6.354419      5.397018
  C      -3.021679     -7.240242      4.357159
  H      -2.379679     -6.911510      6.353872
  H      -1.285055     -6.211231      5.152358
  H      -3.925013     -7.686118      4.792867
  H      -2.350413     -8.064826      4.053162
  H      -6.717392     -7.204098      2.698967
  H      -5.856285     -7.693229      4.159059
  H      -4.738565     -6.645165      1.530735
  H      -4.396688     -8.202470      2.332644
  H      -1.920853     -4.702652      0.745952
  H      -3.538638     -5.386613      0.570477
  H      -1.522055     -5.831448      2.840289
  H      -2.078603     -7.060918      1.661851
  C      -3.152418     -0.915957     -0.190730
  C      -2.908403     -2.354655      0.259753
  C      -3.818119     -2.787753      1.418425
  C      -5.324948     -2.949709      1.019385
  N      -6.192515     -1.886923      1.515426
  C      -6.596223     -0.773928      0.804408
  C      -6.773290     -0.776646     -0.595873
  C      -7.256445      0.363064     -1.235846
  C      -7.582624      1.523454     -0.532098
  C      -7.408851      1.529412      0.860504
  S      -7.789714      2.944058      1.863818
  C      -6.913900      0.401665      1.515877
  C      -9.326746     -6.173673      5.691833
  C      -8.260698     -6.396495      4.614500
  C      -7.130693     -5.351925      4.695107
  C      -7.711721     -3.937573      4.475486
  N      -7.899358     -3.260574      5.756490
  C      -7.874706     -1.888324      5.882362
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  C      -8.214132      0.349222      5.009665
  C      -7.836714      0.915892      6.225315
  C      -7.456270      0.066168      7.278856
  S      -6.933802      0.686560      8.856199
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  C      -0.687395     -5.289117      8.019293
  C      -1.254878     -4.197192      7.107871
  C      -2.739012     -4.274485      6.683891
  C      -3.681046     -4.618597      7.878455
  N      -5.027865     -4.829458      7.313506
  C      -5.891002     -5.733528      7.990621
  C      -5.867303     -7.108076      7.698643
  C      -6.799933     -7.962499      8.285509
  C      -7.757857     -7.472478      9.172690
  C      -7.777912     -6.103365      9.477207
  S      -8.987486     -5.379302     10.544886
  C      -6.840430     -5.242172      8.891479
  H      -2.453886     -0.631319     -0.991475
  H      -3.009974     -0.213742      0.645390
  H      -4.173559     -0.768526     -0.570700
  H      -1.861834     -2.457795      0.590526
  H      -3.037116     -3.039047     -0.595827
  H      -3.813918     -1.961018      2.152829
  H      -5.534968     -3.067417     -0.052396
  H      -5.669291     -3.884537      1.495216
  H      -6.045977     -1.695486      2.504420
  H      -6.549478     -1.668465     -1.180679
  H      -7.388629      0.345679     -2.320080
  H      -7.965421      2.402046     -1.052475
  H      -8.192303      3.744140      0.850108
  H      -6.780040      0.411520      2.599515
  H     -10.100962     -6.952907      5.633880
  H      -9.823991     -5.198730      5.588787
  H      -8.887825     -6.213523      6.703667
  H      -8.724474     -6.362792      3.613909
  H      -7.849657     -7.407165      4.744554
  H      -6.792240     -5.390052      5.748747
  H      -8.662803     -3.995319      3.919167
  H      -7.006900     -3.385984      3.832921
  H      -7.458634     -3.749795      6.531600
  H      -8.536062     -1.450611      3.857795
  H      -8.511684      1.004198      4.187755
  H      -7.832883      1.998807      6.355146
  H      -6.971732      1.996887      8.522617
  H      -7.145271     -1.979106      7.918714
  H      -0.793985     -6.297746      7.598593
  H      -1.173256     -5.288107      9.005816
  H       0.386140     -5.115216      8.187010
  H      -1.119873     -3.229004      7.619157
  H      -0.654757     -4.128431      6.185513
  H      -2.995798     -3.243456      6.401479
  H      -3.334698     -5.519692      8.416392
  H      -3.696341     -3.775045      8.589150
  H      -4.769976     -5.243253      6.396170
  H      -5.129253     -7.493449      6.992202
  H      -6.788175     -9.028037      8.046161
  H      -8.493612     -8.146190      9.614773
  H      -9.621454     -6.531889     10.861319
  H      -6.864352     -4.171767      9.106077
  N      -4.980696     -2.736722      5.037030
  H      -5.249631     -3.093020      5.970105
  H      -5.774792     -2.169072      4.724274
  H      -4.221589     -2.064346      5.197595
  N      -2.172772     -2.354293      4.136717
  N      -1.343003     -1.699502      3.812607
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5658515-4aaE/orca E -7240.548362064913
  N      -3.341683     -3.959846      2.156230
  C      -2.790186     -5.015769      1.331437
  C      -2.370153     -6.157147      2.236255
  N      -3.467072     -6.474655      3.169553
  C      -4.601173     -7.128630      2.495259
  C      -5.847632     -6.952064      3.323222
  N      -5.930007     -5.588959      3.833922
  Mo     -4.175195     -4.546145      3.900598
  N      -3.047616     -5.086332      5.492317
  C      -2.349493     -6.360837      5.388516
  C      -3.017089     -7.245632      4.350125
  H      -2.366464     -6.919849      6.344310
  H      -1.279497     -6.214169      5.138641
  H      -3.920188     -7.690421      4.787315
  H      -2.346996     -8.070862      4.044999
  H      -6.712425     -7.206209      2.685246
  H      -5.852711     -7.700381      4.143991
  H      -4.731290     -6.636338      1.524371
  H      -4.393898     -8.202176      2.313252
  H      -1.898635     -4.686861      0.765624
  H      -3.514132     -5.371393      0.567415
  H      -1.518873     -5.831551      2.851803
  H      -2.066713     -7.050358      1.658771
  C      -3.161582     -0.895874     -0.163571
  C      -2.897612     -2.330531      0.288598
  C      -3.817421     -2.781004      1.431411
  C      -5.318220     -2.946202      1.012378
  N      -6.196161     -1.888276      1.502025
  C      -6.609772     -0.781918      0.786874
  C      -6.783456     -0.789557     -0.613715
  C      -7.274226      0.344918     -1.257350
  C      -7.611262      1.504212     -0.556980
  C      -7.441844      1.514508      0.836221
  S      -7.835527      2.928775      1.834950
  C      -6.940296      0.391964      1.495356
  C      -9.326933     -6.168731      5.681163
  C      -8.263514     -6.393990      4.601879
  C      -7.129023     -5.353987      4.681955
  C      -7.700583     -3.936442      4.459260
  N      -7.894537     -3.261897      5.740786
  C      -7.863005     -1.891151      5.875207
  C      -8.202641     -1.027239      4.812900
  C      -8.188601      0.354320      5.018773
  C      -7.819179      0.909976      6.241925
  C      -7.449394      0.050446      7.291293
  S      -6.940742      0.655853      8.878921
  C      -7.470215     -1.332330      7.111289
  C      -0.686640     -5.298180      8.017120
  C      -1.260452     -4.203909      7.112301
  C      -2.743107     -4.288747      6.685749
  C      -3.682774     -4.648658      7.875418
  N      -5.030416     -4.844967      7.308352
  C      -5.904152     -5.733224      7.992070
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  H      -2.454694     -0.595742     -0.951250
  H      -3.048527     -0.192899      0.676415
  H      -4.178695     -0.768465     -0.561301
  H      -1.854836     -2.415775      0.636379
  H      -3.000631     -3.015974     -0.569514
  H      -3.825526     -1.961274      2.173797
  H      -5.508706     -3.056884     -0.063630
  H      -5.671522     -3.884365      1.473879
  H      -6.056367     -1.691846      2.491103
  H      -6.550559     -1.680830     -1.195918
  H      -7.403497      0.324198     -2.341949
  H      -7.999164      2.378860     -1.080386
  H      -8.240942      3.723582      0.818166
  H      -6.811166      0.403788      2.579614
  H     -10.108088     -6.940884      5.619465
  H      -9.815529     -5.188780      5.583499
  H      -8.887739     -6.218068      6.692391
  H      -8.729640     -6.356890      3.602547
  H      -7.855699     -7.406375      4.728876
  H      -6.793385     -5.391762      5.736532
  H      -8.645643     -3.987977      3.892388
  H      -6.984759     -3.386881      3.827139
  H      -7.467255     -3.758981      6.518105
  H      -8.507582     -1.434983      3.849139
  H      -8.480105      1.017046      4.200940
  H      -7.814272      1.991795      6.381167
  H      -6.955323      1.968170      8.551290
  H      -7.153823     -2.001383      7.917899
  H      -0.781551     -6.304107      7.587259
  H      -1.177175     -5.310216      9.001371
  H       0.384437     -5.115359      8.191383
  H      -1.133748     -3.238455      7.630932
  H      -0.659036     -4.124415      6.191569
  H      -3.006211     -3.257930      6.409065
  H      -3.337719     -5.562243      8.393181
  H      -3.695715     -3.819409      8.602827
  H      -4.779302     -5.264639      6.394667
  H      -5.200339     -7.499935      6.964643
  H      -6.869539     -9.008464      8.041495
  H      -8.519726     -8.103926      9.656029
  H      -9.588691     -6.475347     10.936097
  H      -6.822761     -4.159348      9.136987
  N      -4.968948     -2.744113      5.038186
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  H      -5.762106     -2.174160      4.726956
  H      -4.206958     -2.073351      5.198706
  N      -2.136345     -2.311355      4.149880
  N      -1.301468     -1.682486      3.792276
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5658515-4aaE/orca E -7240.550464749344
  N      -3.338891     -3.954133      2.165270
  C      -2.779127     -5.002275      1.337168
  C      -2.365573     -6.151797      2.234451
  N      -3.463987     -6.478457      3.162593
  C      -4.599043     -7.126607      2.484898
  C      -5.844695     -6.953809      3.315493
  N      -5.925296     -5.592253      3.830875
  Mo     -4.169757     -4.552458      3.903641
  N      -3.039618     -5.099731      5.488426
  C      -2.339480     -6.371999      5.376402
  C      -3.012334     -7.253466      4.338777
  H      -2.349542     -6.934655      6.330041
  H      -1.271261     -6.222563      5.120268
  H      -3.914843     -7.697536      4.778333
  H      -2.344817     -8.079339      4.029421
  H      -6.710580     -7.206175      2.678057
  H      -5.848578     -7.705865      4.133182
  H      -4.729499     -6.625074      1.518461
  H      -4.394751     -8.199132      2.293200
  H      -1.882779     -4.668185      0.781695
  H      -3.496685     -5.351921      0.564292
  H      -1.515596     -5.833622      2.855594
  H      -2.060546     -7.039129      1.648182
  C      -3.170128     -0.870623     -0.129321
  C      -2.891524     -2.303366      0.320402
  C      -3.818608     -2.771319      1.450011
  C      -5.313927     -2.939002      1.014518
  N      -6.200042     -1.885178      1.499099
  C      -6.621000     -0.785559      0.777505
  C      -6.795520     -0.803140     -0.622846
  C      -7.290883      0.325292     -1.273648
  C      -7.631816      1.487807     -0.580720
  C      -7.462186      1.507854      0.812411
  S      -7.859675      2.927699      1.801472
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  C      -9.326263     -6.161946      5.673640
  C      -8.262988     -6.391445      4.595442
  C      -7.126785     -5.352943      4.673269
  C      -7.693399     -3.934666      4.444012
  N      -7.895561     -3.259225      5.724015
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  C      -8.191398     -1.022900      4.796530
  C      -8.179504      0.358155      5.005978
  C      -7.823331      0.911322      6.234159
  C      -7.464705      0.049549      7.285566
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  C      -0.678891     -5.319366      8.011637
  C      -1.258297     -4.220672      7.115589
  C      -2.740458     -4.309620      6.688168
  C      -3.677321     -4.686068      7.873346
  N      -5.027471     -4.865791      7.306412
  C      -5.910937     -5.738770      7.996892
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  C      -6.901869     -7.931700      8.295417
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  C      -7.745467     -6.053812      9.559149
  S      -8.863540     -5.301268     10.704400
  C      -6.801397     -5.221729      8.942247
  H      -2.457146     -0.556746     -0.906014
  H      -3.079116     -0.169813      0.715131
  H      -4.183543     -0.756792     -0.540290
  H      -1.852087     -2.376261      0.680812
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  H      -3.836210     -1.959543      2.201040
  H      -5.486578     -3.041938     -0.065247
  H      -5.673314     -3.881666      1.462348
  H      -6.064696     -1.683198      2.487618
  H      -6.559414     -1.697414     -1.199177
  H      -7.420687      0.296967     -2.358011
  H      -8.022790      2.357725     -1.109706
  H      -8.272237      3.712686      0.779947
  H      -6.827329      0.410489      2.562882
  H     -10.110978     -6.930463      5.611485
  H      -9.810116     -5.179681      5.575287
  H      -8.887712     -6.213248      6.684780
  H      -8.729455     -6.356304      3.596218
  H      -7.856113     -7.404005      4.724506
  H      -6.793664     -5.386501      5.728791
  H      -8.632977     -3.984753      3.868089
  H      -6.969335     -3.386677      3.819769
  H      -7.478238     -3.759569      6.504854
  H      -8.486829     -1.428730      3.829003
  H      -8.463356      1.022733      4.186996
  H      -7.820643      1.992806      6.375985
  H      -6.975725      1.963697      8.553015
  H      -7.178380     -2.003794      7.911441
  H      -0.764029     -6.321658      7.571418
  H      -1.172827     -5.345070      8.993950
  H       0.390027     -5.129551      8.191511
  H      -1.137422     -3.259027      7.642548
  H      -0.656782     -4.130279      6.195961
  H      -3.008184     -3.277981      6.419922
  H      -3.334092     -5.612098      8.370082
  H      -3.685050     -3.872147      8.617570
  H      -4.784311     -5.289988      6.393390
  H      -5.267158     -7.510528      6.939853
  H      -6.946453     -8.992451      8.039018
  H      -8.538639     -8.067703      9.699803
  H      -9.548145     -6.426966     11.012310
  H      -6.771656     -4.154944      9.173164
  N      -4.951952     -2.754581      5.046727
  H      -5.222492     -3.118363      5.976907
  H      -5.743657     -2.180857      4.738695
  H      -4.186285     -2.086957      5.208344
  N      -2.104542     -2.276830      4.167013
  N      -1.265047     -1.670660      3.779239
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5658515-4aaE/orca E -7240.552424768803
  N      -3.336371     -3.948306      2.175209
  C      -2.770822     -4.988992      1.341414
  C      -2.361679     -6.147303      2.229842
  N      -3.460648     -6.482146      3.155092
  C      -4.597909     -7.124335      2.475003
  C      -5.842380     -6.955336      3.309700
  N      -5.920759     -5.594836      3.829581
  Mo     -4.164002     -4.559212      3.908008
  N      -3.029734     -5.114154      5.484945
  C      -2.328015     -6.384894      5.363934
  C      -3.006797     -7.262525      4.326532
  H      -2.331091     -6.951737      6.315002
  H      -1.261589     -6.233058      5.101491
  H      -3.908486     -7.706098      4.768691
  H      -2.342310     -8.088947      4.011902
  H      -6.709802     -7.206038      2.673518
  H      -5.844339     -7.710989      4.124392
  H      -4.729624     -6.614060      1.512979
  H      -4.396472     -8.195655      2.273833
  H      -1.871168     -4.649884      0.794103
  H      -3.483935     -5.332301      0.561413
  H      -1.511355     -5.837180      2.854470
  H      -2.057148     -7.028875      1.634208
  C      -3.178874     -0.844224     -0.093048
  C      -2.887886     -2.275890      0.352459
  C      -3.820556     -2.761207      1.470181
  C      -5.310563     -2.931921      1.019798
  N      -6.203873     -1.881473      1.498587
  C      -6.631263     -0.789298      0.769078
  C      -6.811249     -0.820104     -0.630321
  C      -7.310094      0.301847     -1.289667
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  C      -7.474597      1.503508      0.786074
  S      -7.867902      2.932815      1.762946
  C      -6.965651      0.393591      1.460790
  C      -9.328870     -6.152435      5.662134
  C      -8.262907     -6.387287      4.588100
  C      -7.125351     -5.350137      4.665203
  C      -7.686423     -3.931109      4.428173
  N      -7.897899     -3.255059      5.706365
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  C      -7.488715      0.050787      7.279025
  S      -7.021548      0.649570      8.881814
  C      -7.502936     -1.331056      7.092223
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  C      -2.734407     -4.331702      6.690819
  C      -3.668421     -4.723909      7.871506
  N      -5.021512     -4.887431      7.305896
  C      -5.913472     -5.745575      8.003343
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  C      -6.946095     -7.918733      8.303241
  C      -7.808810     -7.393819      9.265313
  C      -7.720342     -6.034891      9.602450
  S      -8.791876     -5.270822     10.784320
  C      -6.772797     -5.217414      8.971259
  H      -2.461343     -0.517760     -0.860226
  H      -3.105659     -0.146705      0.755846
  H      -4.189025     -0.740747     -0.514597
  H      -1.851487     -2.338955      0.723277
  H      -2.954834     -2.956043     -0.513279
  H      -3.846785     -1.957647      2.229825
  H      -5.465523     -3.027984     -0.063266
  H      -5.673939     -3.879064      1.455356
  H      -6.071593     -1.672326      2.485950
  H      -6.576750     -1.719677     -1.199021
  H      -7.444240      0.263281     -2.373163
  H      -8.042813      2.335132     -1.141741
  H      -8.290917      3.705608      0.736429
  H      -6.830661      0.423282      2.544009
  H     -10.115757     -6.918669      5.599568
  H      -9.809316     -5.168914      5.559723
  H      -8.893043     -6.202656      6.674268
  H      -8.726902     -6.355767      3.587614
  H      -7.857016     -7.399713      4.721923
  H      -6.796445     -5.378762      5.722104
  H      -8.620428     -3.979510      3.843106
  H      -6.954058     -3.385101      3.811793
  H      -7.489689     -3.757585      6.490694
  H      -8.468028     -1.421636      3.807194
  H      -8.453122      1.029291      4.171510
  H      -7.837926      1.995420      6.369788
  H      -7.016129      1.962500      8.556421
  H      -7.208862     -2.003738      7.904196
  H      -0.744022     -6.341751      7.555646
  H      -1.165377     -5.382202      8.986202
  H       0.398674     -5.147184      8.191553
  H      -1.136094     -3.282211      7.653411
  H      -0.651152     -4.139628      6.199879
  H      -3.005948     -3.299015      6.431448
  H      -3.327249     -5.661364      8.348084
  H      -3.670120     -3.924979      8.631428
  H      -4.787036     -5.315586      6.392561
  H      -5.330166     -7.520907      6.917840
  H      -7.019590     -8.975761      8.038428
  H      -8.553114     -8.032681      9.743485
  H      -9.505999     -6.380487     11.083167
  H      -6.715007     -4.153560      9.210418
  N      -4.934466     -2.765051      5.058337
  H      -5.204801     -3.133711      5.986824
  H      -5.725070     -2.187691      4.754324
  H      -4.165461     -2.100659      5.221220
  N      -2.076795     -2.244867      4.186782
  N      -1.234199     -1.660150      3.772173
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5658515-4aaE/orca E -7240.554256877876
  N      -3.334267     -3.941643      2.186210
  C      -2.765114     -4.974494      1.344535
  C      -2.358687     -6.142313      2.222457
  N      -3.456972     -6.485078      3.146588
  C      -4.597104     -7.121559      2.465167
  C      -5.839864     -6.956701      3.304961
  N      -5.916181     -5.597087      3.829248
  Mo     -4.158164     -4.566183      3.913266
  N      -3.018541     -5.129476      5.481342
  C      -2.314911     -6.398502      5.350080
  C      -2.999645     -7.271772      4.312390
  H      -2.310466     -6.970379      6.297983
  H      -1.250448     -6.243690      5.081231
  H      -3.899876     -7.715859      4.757304
  H      -2.337998     -8.098003      3.991191
  H      -6.709098     -7.206049      2.670600
  H      -5.839051     -7.715826      4.116712
  H      -4.731098     -6.602972      1.507614
  H      -4.398139     -8.191519      2.254716
  H      -1.863427     -4.630189      0.803674
  H      -3.475538     -5.310723      0.558848
  H      -1.506661     -5.840917      2.848891
  H      -2.056399     -7.017956      1.616677
  C      -3.188766     -0.814907     -0.052736
  C      -2.885629     -2.245901      0.386937
  C      -3.823188     -2.749832      1.492500
  C      -5.307652     -2.924078      1.027151
  N      -6.208001     -1.876824      1.499312
  C      -6.640835     -0.792255      0.761233
  C      -6.825589     -0.836911     -0.637145
  C      -7.327219      0.278300     -1.305769
  C      -7.665159      1.453090     -0.632546
  C      -7.485717      1.500014      0.758773
  S      -7.875260      2.939051      1.722655
  C      -6.973600      0.397068      1.442513
  C      -9.329141     -6.144959      5.654704
  C      -8.260925     -6.384700      4.584267
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  C      -7.680384     -3.928531      4.413939
  N      -7.901183     -3.250316      5.689280
  C      -7.873006     -1.880628      5.827614
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  C      -8.176843      0.367569      4.971742
  C      -7.852070      0.918893      6.209383
  C      -7.515229      0.055610      7.266784
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  C      -7.524407     -1.326102      7.079140
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  C      -1.244462     -4.262981      7.122102
  C      -2.726486     -4.355995      6.693978
  C      -3.658060     -4.763679      7.869711
  N      -5.014253     -4.910906      7.306026
  C      -5.914767     -5.753682      8.010332
  C      -6.040239     -7.111686      7.671820
  C      -6.993994     -7.903972      8.309201
  C      -7.821899     -7.369233      9.296133
  C      -7.693031     -6.016630      9.645675
  S      -8.715862     -5.242016     10.863600
  C      -6.740616     -5.214972      9.001503
  H      -2.467431     -0.475502     -0.810591
  H      -3.132047     -0.121738      0.800969
  H      -4.195718     -0.720565     -0.483950
  H      -1.852313     -2.299918      0.767602
  H      -2.936565     -2.921544     -0.483386
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  H      -5.444265     -3.013450     -0.058969
  H      -5.673674     -3.875830      1.451002
  H      -6.078711     -1.659878      2.485301
  H      -6.592779     -1.742094     -1.197570
  H      -7.465228      0.228971     -2.388309
  H      -8.060730      2.312416     -1.175151
  H      -8.307824      3.699400      0.690864
  H      -6.832922      0.438049      2.524653
  H     -10.116660     -6.910616      5.593565
  H      -9.808282     -5.161352      5.547293
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  H      -6.797843     -5.370395      5.717352
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  H      -6.940999     -3.384761      3.803862
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  H      -8.451412     -1.417423      3.783024
  H      -8.445275      1.033593      4.148813
  H      -7.857833      1.999880      6.354261
  H      -7.062881      1.967646      8.551093
  H      -7.240752     -1.998928      7.894725
  H      -0.723099     -6.365746      7.538769
  H      -1.157062     -5.424493      8.977798
  H       0.408437     -5.170075      8.191979
  H      -1.131911     -3.309483      7.665293
  H      -0.643630     -4.152527      6.204382
  H      -3.001051     -3.321911      6.444327
  H      -3.319439     -5.711830      8.326837
  H      -3.653404     -3.979661      8.644590
  H      -4.789041     -5.342359      6.391565
  H      -5.398034     -7.530322      6.893828
  H      -7.099286     -8.955786      8.034730
  H      -8.569840     -7.995604      9.784921
  H      -9.460802     -6.333532     11.153739
  H      -6.652136     -4.155247      9.249799
  N      -4.917241     -2.775819      5.072478
  H      -5.186887     -3.150193      5.998961
  H      -5.707098     -2.195001      4.773211
  H      -4.145254     -2.114638      5.237033
  N      -2.052317     -2.213986      4.209576
  N      -1.207344     -1.649658      3.770540
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5658515-4aaE/orca E -7240.555895318861
  N      -3.332387     -3.935564      2.197028
  C      -2.761729     -4.960822      1.346393
  C      -2.356686     -6.137952      2.213226
  N      -3.453252     -6.487775      3.137775
  C      -4.596641     -7.119206      2.456048
  C      -5.837512     -6.958230      3.301103
  N      -5.911911     -5.599272      3.829198
  Mo     -4.152641     -4.573516      3.918602
  N      -3.007025     -5.144897      5.477592
  C      -2.301000     -6.411860      5.335615
  C      -2.991405     -7.280874      4.297581
  H      -2.288533     -6.989016      6.280087
  H      -1.238662     -6.253441      5.060313
  H      -3.889641     -7.726291      4.745430
  H      -2.332195     -8.106264      3.969197
  H      -6.708570     -7.206512      2.668744
  H      -5.833698     -7.720366      4.110244
  H      -4.733393     -6.593325      1.502614
  H      -4.399782     -8.187836      2.237279
  H      -1.859065     -4.611628      0.810192
  H      -3.471118     -5.289785      0.556548
  H      -1.501930     -5.845266      2.839935
  H      -2.058030     -7.008003      1.597447
  C      -3.196847     -0.786329     -0.011951
  C      -2.883399     -2.217134      0.421167
  C      -3.825714     -2.739153      1.514591
  C      -5.304688     -2.917038      1.034789
  N      -6.211499     -1.872543      1.499886
  C      -6.648634     -0.795277      0.753239
  C      -6.838169     -0.853581     -0.643982
  C      -7.341807      0.255185     -1.321768
  C      -7.677526      1.436419     -0.658812
  C      -7.493253      1.496972      0.731361
  S      -7.877974      2.945828      1.682295
  C      -6.978639      0.400702      1.423975
  C      -9.333019     -6.134793      5.642262
  C      -8.259715     -6.381131      4.578717
  C      -7.121817     -5.344396      4.652960
  C      -7.674495     -3.925166      4.398909
  N      -7.905865     -3.245165      5.671288
  C      -7.881490     -1.875547      5.809653
  C      -8.178179     -1.007695      4.737198
  C      -8.182330      0.372504      4.952610
  C      -7.873552      0.923629      6.194429
  C      -7.546311      0.060339      7.254865
  S      -7.122131      0.658953      8.869633
  C      -7.548973     -1.321141      7.065677
  C      -0.643353     -5.400076      7.994150
  C      -1.235433     -4.286388      7.125013
  C      -2.717542     -4.380411      6.696674
  C      -3.646933     -4.802145      7.867601
  N      -5.006050     -4.934806      7.306452
  C      -5.914027     -5.762422      8.018218
  C      -6.081474     -7.112702      7.667298
  C      -7.040244     -7.888196      8.317724
  C      -7.831062     -7.344855      9.330026
  C      -7.660649     -5.999875      9.691285
  S      -8.632718     -5.216282     10.944915
  C      -6.704332     -5.214260      9.033214
  H      -2.471776     -0.434769     -0.760585
  H      -3.155033     -0.098128      0.846632
  H      -4.200445     -0.699155     -0.452347
  H      -1.853262     -2.263683      0.811283
  H      -2.919389     -2.887526     -0.453947
  H      -3.869652     -1.953632      2.292213
  H      -5.423357     -3.000409     -0.053942
  H      -5.672297     -3.872987      1.448273
  H      -6.084808     -1.647790      2.484398
  H      -6.607734     -1.764432     -1.196117
  H      -7.483720      0.195234     -2.403238
  H      -8.074747      2.290503     -1.208386
  H      -8.318560      3.694483      0.645379
  H      -6.831897      0.452957      2.504843
  H     -10.120663     -6.900355      5.582027
  H      -9.811030     -5.151575      5.526698
  H      -8.903098     -6.175999      6.657004
  H      -8.716891     -6.361214      3.574817
  H      -7.853646     -7.391820      4.726221
  H      -6.800905     -5.361283      5.712534
  H      -8.598130     -3.972782      3.797300
  H      -6.927812     -3.383673      3.795599
  H      -7.514120     -3.747963      6.463754
  H      -8.438806     -1.412169      3.759122
  H      -8.444077      1.038668      4.127676
  H      -7.884695      2.004400      6.340304
  H      -7.118118      1.972593      8.547148
  H      -7.274721     -1.994354      7.884276
  H      -0.701515     -6.389801      7.522370
  H      -1.147839     -5.466228      8.969159
  H       0.419051     -5.193263      8.192334
  H      -1.126089     -3.336972      7.675895
  H      -0.635173     -4.166666      6.208155
  H      -2.994786     -3.345004      6.456349
  H      -3.310841     -5.759378      8.307627
  H      -3.636401     -4.031571      8.655482
  H      -4.790170     -5.368902      6.390727
  H      -5.467671     -7.538062      6.870248
  H      -7.178381     -8.933683      8.033958
  H      -8.581935     -7.958619      9.830069
  H      -9.405155     -6.289464     11.231282
  H      -6.584524     -4.159547      9.289905
  N      -4.901717     -2.786644      5.087268
  H      -5.170163     -3.167011      6.011766
  H      -5.691353     -2.202943      4.793116
  H      -4.127365     -2.128266      5.253504
  N      -2.032012     -2.186793      4.233312
  N      -1.185312     -1.640695      3.773779
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5658515-4aaE/orca E -7240.557401355210
  N      -3.330632     -3.929116      2.208289
  C      -2.760418     -4.946638      1.347398
  C      -2.355669     -6.133248      2.202092
  N      -3.449388     -6.489951      3.128399
  C      -4.596358     -7.116922      2.447463
  C      -5.834833     -6.959945      3.298362
  N      -5.907551     -5.601567      3.829990
  Mo     -4.147098     -4.581107      3.924376
  N      -2.994753     -5.160698      5.473675
  C      -2.285313     -6.424787      5.319670
  C      -2.981491     -7.289623      4.281470
  H      -2.263340     -7.007747      6.260240
  H      -1.225540     -6.261513      5.037183
  H      -3.876966     -7.737341      4.732733
  H      -2.324363     -8.113399      3.944920
  H      -6.707911     -7.207546      2.668476
  H      -5.827312     -7.724804      4.105111
  H      -4.736658     -6.584376      1.498023
  H      -4.401267     -8.184192      2.220865
  H      -1.857665     -4.592696      0.814395
  H      -3.470310     -5.267787      0.554659
  H      -1.497255     -5.849524      2.827785
  H      -2.061878     -6.997683      1.576000
  C      -3.204806     -0.756520      0.031276
  C      -2.881468     -2.187351      0.457018
  C      -3.828352     -2.727976      1.537771
  C      -5.301629     -2.909617      1.043462
  N      -6.215043     -1.868082      1.501262
  C      -6.655849     -0.797866      0.746266
  C      -6.848024     -0.869041     -0.649973
  C      -7.353351      0.233296     -1.336923
  C      -7.688650      1.420246     -0.684048
  C      -7.501592      1.493672      0.705131
  S      -7.884187      2.951251      1.643433
  C      -6.984737      0.404075      1.406623
  C      -9.336245     -6.126641      5.631481
  C      -8.257444     -6.378820      4.575095
  C      -7.119762     -5.341992      4.648702
  C      -7.668829     -3.922827      4.386438
  N      -7.910475     -3.239691      5.655140
  C      -7.890526     -1.869815      5.791207
  C      -8.178698     -1.004092      4.714639
  C      -8.189762      0.376270      4.928659
  C      -7.896285      0.929815      6.173098
  C      -7.577584      0.068788      7.237968
  S      -7.173462      0.670558      8.856708
  C      -7.573364     -1.312834      7.050154
  C      -0.630055     -5.430581      7.988017
  C      -1.225725     -4.311435      7.128382
  C      -2.707875     -4.406081      6.699634
  C      -3.635529     -4.841615      7.865479
  N      -4.997460     -4.960316      7.306975
  C      -5.913118     -5.772169      8.025911
  C      -6.126608     -7.112160      7.660870
  C      -7.091272     -7.869712      8.323686
  C      -7.841932     -7.319240      9.362269
  C      -7.625977     -5.984413      9.736847
  S      -8.544132     -5.193486     11.026305
  C      -6.664878     -5.215927      9.065773
  H      -2.475954     -0.392558     -0.707651
  H      -3.177833     -0.074032      0.895001
  H      -4.204764     -0.675764     -0.418489
  H      -1.854678     -2.227077      0.856572
  H      -2.902617     -2.851651     -0.423209
  H      -3.881374     -1.952014      2.324452
  H      -5.402378     -2.987096     -0.047558
  H      -5.669897     -3.869614      1.447116
  H      -6.091363     -1.635936      2.484430
  H      -6.618590     -1.785014     -1.193975
  H      -7.497532      0.163307     -2.417462
  H      -8.087381      2.269072     -1.240574
  H      -8.330977      3.688848      0.601275
  H      -6.833700      0.466978      2.486324
  H     -10.123380     -6.892749      5.571951
  H      -9.813851     -5.144262      5.507640
  H      -8.910946     -6.161927      6.648281
  H      -8.709576     -6.365508      3.568816
  H      -7.851183     -7.388361      4.730672
  H      -6.802682     -5.353339      5.709549
  H      -8.587382     -3.970594      3.776947
  H      -6.915656     -3.383779      3.788935
  H      -7.526242     -3.740793      6.452319
  H      -8.428390     -1.410512      3.734519
  H      -8.445510      1.040778      4.100542
  H      -7.912954      2.010654      6.317648
  H      -7.174283      1.984083      8.533737
  H      -7.307331     -1.984505      7.872737
  H      -0.679371     -6.415456      7.505216
  H      -1.138259     -5.510669      8.960030
  H       0.430061     -5.218817      8.192960
  H      -1.119420     -3.366444      7.687357
  H      -0.626059     -4.182101      6.212508
  H      -2.987582     -3.369235      6.469028
  H      -3.302157     -5.807100      8.289542
  H      -3.619497     -4.084003      8.665466
  H      -4.791048     -5.396328      6.389689
  H      -5.544193     -7.542954      6.843516
  H      -7.265429     -8.906781      8.029202
  H      -8.596590     -7.919481      9.872818
  H      -9.343445     -6.247087     11.311385
  H      -6.511201     -4.167891      9.331758
  N      -4.886951     -2.797659      5.103380
  H      -5.153970     -3.184658      6.025608
  H      -5.676589     -2.211245      4.814691
  H      -4.110580     -2.141979      5.271706
  N      -2.014034     -2.161796      4.258853
  N      -1.166020     -1.632464      3.781429
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5658515-4aaE/orca E -7240.558722392491
  N      -3.329389     -3.924050      2.219065
  C      -2.761197     -4.934529      1.347883
  C      -2.356090     -6.129904      2.190719
  N      -3.446317     -6.492368      3.119808
  C      -4.597069     -7.115516      2.440542
  C      -5.833052     -6.961806      3.297124
  N      -5.904042     -5.603758      3.831459
  Mo     -4.142252     -4.589053      3.930188
  N      -2.982926     -5.175991      5.469980
  C      -2.270185     -6.437150      5.304323
  C      -2.971996     -7.298166      4.266273
  H      -2.238705     -7.025619      6.241052
  H      -1.213038     -6.269021      5.014695
  H      -3.864542     -7.748289      4.721127
  H      -2.316829     -8.120186      3.921666
  H      -6.708090     -7.208963      2.669780
  H      -5.821938     -7.728799      4.101993
  H      -4.741023     -6.577465      1.494554
  H      -4.403669     -8.181616      2.207325
  H      -1.858955     -4.576509      0.816690
  H      -3.472763     -5.248043      0.553456
  H      -1.493425     -5.854759      2.814278
  H      -2.068070     -6.989315      1.555017
  C      -3.210916     -0.729767      0.072543
  C      -2.879440     -2.160801      0.491297
  C      -3.830833     -2.718478      1.559816
  C      -5.298633     -2.903353      1.051940
  N      -6.217648     -1.864198      1.502828
  C      -6.660979     -0.800356      0.739983
  C      -6.856127     -0.883796     -0.655145
  C      -7.362153      0.212733     -1.350820
  C      -7.695576      1.405538     -0.707720
  C      -7.505361      1.491244      0.680318
  S      -7.883987      2.957632      1.606365
  C      -6.987331      0.407644      1.390250
  C      -9.345993     -6.114297      5.611867
  C      -8.258267     -6.373640      4.566697
  C      -7.119374     -5.338503      4.643627
  C      -7.662845     -3.918679      4.373582
  N      -7.915617     -3.233399      5.638917
  C      -7.901536     -1.863300      5.773278
  C      -8.182618     -0.999609      4.693201
  C      -8.202823      0.380763      4.906395
  C      -7.925167      0.936544      6.153460
  C      -7.613560      0.077741      7.222197
  S      -7.230017      0.682445      8.844853
  C      -7.600559     -1.303911      7.035222
  C      -0.616147     -5.458783      7.981643
  C      -1.215414     -4.335016      7.130574
  C      -2.697743     -4.430312      6.701900
  C      -3.623478     -4.877681      7.863455
  N      -4.987915     -4.985189      7.308190
  C      -5.909370     -5.782370      8.034808
  C      -6.166107     -7.111420      7.657908
  C      -7.134545     -7.852480      8.333869
  C      -7.845502     -7.297063      9.397390
  C      -7.586205     -5.973210      9.783600
  S      -8.450732     -5.177786     11.107234
  C      -6.622449     -5.220414      9.098926
  H      -2.478034     -0.354540     -0.656672
  H      -3.197906     -0.052988      0.941075
  H      -4.206987     -0.654122     -0.386598
  H      -1.856000     -2.195029      0.899839
  H      -2.886930     -2.818988     -0.393739
  H      -3.892441     -1.951651      2.354857
  H      -5.382759     -2.975480     -0.040895
  H      -5.667064     -3.866827      1.447050
  H      -6.096497     -1.625370      2.484782
  H      -6.628835     -1.804948     -1.191241
  H      -7.508860      0.133153     -2.430335
  H      -8.094999      2.249641     -1.270852
  H      -8.335831      3.685117      0.559299
  H      -6.831753      0.480751      2.468621
  H     -10.133356     -6.879967      5.550080
  H      -9.821451     -5.132209      5.478060
  H      -8.929226     -6.144247      6.632145
  H      -8.701781     -6.365761      3.556547
  H      -7.854227     -7.382760      4.731266
  H      -6.808051     -5.345741      5.706273
  H      -8.575535     -3.965225      3.755116
  H      -6.902240     -3.382262      3.783087
  H      -7.538517     -3.732723      6.440638
  H      -8.421226     -1.407843      3.711083
  H      -8.453915      1.043598      4.075550
  H      -7.948973      2.017339      6.297116
  H      -7.238244      1.995964      8.521967
  H      -7.341835     -1.973972      7.861437
  H      -0.657234     -6.439154      7.489015
  H      -1.127557     -5.551532      8.950834
  H       0.441814     -5.242375      8.192682
  H      -1.111615     -3.393927      7.696524
  H      -0.616670     -4.197248      6.215385
  H      -2.979743     -3.392283      6.479999
  H      -3.292267     -5.849725      8.274269
  H      -3.602661     -4.131007      8.673366
  H      -4.790779     -5.422677      6.389532
  H      -5.614029     -7.546277      6.821941
  H      -7.342469     -8.880685      8.030452
  H      -8.602176     -7.885046      9.919022
  H      -9.272286     -6.213266     11.395314
  H      -6.436204     -4.179880      9.373455
  N      -4.874130     -2.808480      5.118981
  H      -5.139244     -3.201859      6.039222
  H      -5.664201     -2.220029      4.835565
  H      -4.096298     -2.154951      5.288983
  N      -1.999372     -2.141506      4.283688
  N      -1.150261     -1.626647      3.791769
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5658515-4aaE/orca E -7240.559945247319
  N      -3.329212     -3.919650      2.230333
  C      -2.763692     -4.923281      1.348692
  C      -2.357768     -6.127137      2.179656
  N      -3.444287     -6.494820      3.111896
  C      -4.598786     -7.114362      2.434430
  C      -5.832332     -6.963701      3.296403
  N      -5.901684     -5.605950      3.833419
  Mo     -4.138404     -4.597292      3.936428
  N      -2.971756     -5.190938      5.466611
  C      -2.256472     -6.449561      5.289897
  C      -2.963949     -7.306705      4.251947
  H      -2.216353     -7.043291      6.222889
  H      -1.201789     -6.277232      4.993578
  H      -3.853888     -7.758830      4.710218
  H      -2.310998     -8.127188      3.899559
  H      -6.709130     -7.210372      2.671367
  H      -5.817892     -7.732786      4.099433
  H      -4.746282     -6.571288      1.491669
  H      -4.406994     -8.179350      2.195132
  H      -1.862318     -4.561302      0.818703
  H      -3.477493     -5.229180      0.553192
  H      -1.490562     -5.860439      2.800469
  H      -2.076057     -6.981750      1.534678
  C      -3.216577     -0.703524      0.115198
  C      -2.877357     -2.134720      0.527074
  C      -3.833836     -2.709520      1.582353
  C      -5.295816     -2.897067      1.060056
  N      -6.220082     -1.860005      1.503986
  C      -6.665354     -0.802124      0.733772
  C      -6.862060     -0.896812     -0.660389
  C      -7.368241      0.194277     -1.364441
  C      -7.700650      1.392327     -0.730602
  C      -7.508693      1.489264      0.656438
  S      -7.884716      2.963520      1.570925
  C      -6.989996      0.411305      1.374470
  C      -9.359199     -6.102540      5.587825
  C      -8.261250     -6.368083      4.555223
  C      -7.120429     -5.335735      4.638930
  C      -7.657291     -3.914667      4.362668
  N      -7.920192     -3.227045      5.624520
  C      -7.912565     -1.856604      5.755984
  C      -8.187665     -0.996251      4.671747
  C      -8.216811      0.384345      4.882199
  C      -7.953784      0.943886      6.130744
  C      -7.648202      0.088634      7.204019
  S      -7.283264      0.698255      8.829124
  C      -7.626526     -1.293244      7.019690
  C      -0.601801     -5.486001      7.974190
  C      -1.204810     -4.357777      7.131733
  C      -2.687515     -4.453575      6.703839
  C      -3.610908     -4.911577      7.861782
  N      -4.977788     -5.010056      7.310406
  C      -5.903842     -5.792744      8.045149
  C      -6.201309     -7.110330      7.658342
  C      -7.172727     -7.835786      8.346950
  C      -7.845350     -7.276966      9.433297
  C      -7.544300     -5.964967      9.829904
  S      -8.356595     -5.167060     11.184949
  C      -6.578848     -5.226848      9.132152
  H      -2.478847     -0.316765     -0.602990
  H      -3.218973     -0.032877      0.988560
  H      -4.207937     -0.632873     -0.354781
  H      -1.857699     -2.163757      0.945331
  H      -2.870606     -2.786415     -0.362758
  H      -3.904628     -1.952207      2.385763
  H      -5.363125     -2.963538     -0.034346
  H      -5.664537     -3.863793      1.446678
  H      -6.101798     -1.615086      2.484913
  H      -6.636298     -1.822684     -1.188962
  H      -7.516372      0.105895     -2.443053
  H      -8.100381      2.232000     -1.300054
  H      -8.340879      3.681528      0.519213
  H      -6.831052      0.493787      2.451639
  H     -10.147161     -6.867169      5.521300
  H      -9.831536     -5.120268      5.444944
  H      -8.952675     -6.128983      6.612201
  H      -8.694516     -6.363295      3.540617
  H      -7.860874     -7.377506      4.727308
  H      -6.815590     -5.341109      5.703603
  H      -8.564356     -3.958950      3.735663
  H      -6.889311     -3.381376      3.778906
  H      -7.549407     -3.723864      6.430722
  H      -8.415979     -1.407482      3.688435
  H      -8.463850      1.044433      4.047979
  H      -7.984473      2.024784      6.272057
  H      -7.300385      2.011313      8.504720
  H      -7.373941     -1.960533      7.849959
  H      -0.635155     -6.461825      7.472036
  H      -1.115911     -5.591065      8.940680
  H       0.454108     -5.265269      8.190840
  H      -1.102953     -3.420472      7.704238
  H      -0.607472     -4.212052      6.216913
  H      -2.971668     -3.414465      6.490078
  H      -3.281202     -5.889049      8.261017
  H      -3.585606     -4.174610      8.680235
  H      -4.790314     -5.449150      6.390363
  H      -5.676924     -7.548739      6.806580
  H      -7.412279     -8.854838      8.036174
  H      -8.603310     -7.853475      9.965701
  H      -9.197620     -6.185264     11.478314
  H      -6.361307     -4.194472      9.414489
  N      -4.863072     -2.819097      5.134386
  H      -5.125793     -3.218728      6.052768
  H      -5.653967     -2.229323      4.855983
  H      -4.084248     -2.167173      5.305715
  N      -1.986638     -2.122399      4.309621
  N      -1.136423     -1.621565      3.804498
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5658515-4aaE/orca E -7240.561074413496
  N      -3.329479     -3.916042      2.241130
  C      -2.766895     -4.913103      1.349309
  C      -2.359937     -6.124881      2.168862
  N      -3.442801     -6.497276      3.104312
  C      -4.600705     -7.113717      2.428591
  C      -5.831946     -6.966027      3.295549
  N      -5.900076     -5.608445      3.834864
  Mo     -4.135400     -4.605582      3.942267
  N      -2.961446     -5.205012      5.463110
  C      -2.244282     -6.461524      5.276403
  C      -2.956943     -7.314949      4.238322
  H      -2.196879     -7.060055      6.205927
  H      -1.191765     -6.285670      4.974302
  H      -3.844549     -7.768930      4.699522
  H      -2.306123     -8.133963      3.878680
  H      -6.710234     -7.212528      2.672618
  H      -5.814295     -7.736893      4.097008
  H      -4.751573     -6.566213      1.488762
  H      -4.410178     -8.177641      2.183869
  H      -1.866542     -4.547315      0.820227
  H      -3.483121     -5.211678      0.553133
  H      -1.488241     -5.866177      2.786656
  H      -2.084598     -6.975013      1.515255
  C      -3.220817     -0.678139      0.157942
  C      -2.874400     -2.109502      0.563127
  C      -3.836625     -2.701324      1.604140
  C      -5.292438     -2.890964      1.066504
  N      -6.221648     -1.855760      1.503496
  C      -6.668424     -0.803434      0.726457
  C      -6.865280     -0.908150     -0.666933
  C      -7.371390      0.177902     -1.378777
  C      -7.703923      1.380394     -0.753415
  C      -7.511697      1.487285      0.632839
  S      -7.886794      2.968226      1.536799
  C      -6.992558      0.414584      1.358418
  C      -9.373989     -6.091304      5.560937
  C      -8.265596     -6.362801      4.541370
  C      -7.122233     -5.334180      4.633942
  C      -7.651924     -3.911446      4.353314
  N      -7.923562     -3.222440      5.612248
  C      -7.923435     -1.851697      5.740899
  C      -8.194713     -0.994926      4.652849
  C      -8.233035      0.385864      4.860291
  C      -7.982950      0.949377      6.109712
  C      -7.681507      0.097935      7.187144
  S      -7.332808      0.712785      8.813843
  C      -7.650848     -1.284150      7.005721
  C      -0.587786     -5.511465      7.965585
  C      -1.194560     -4.378977      7.131637
  C      -2.677754     -4.475186      6.704936
  C      -3.598688     -4.942640      7.859791
  N      -4.967980     -5.033828      7.312846
  C      -5.897843     -5.801835      8.056372
  C      -6.236074     -7.106778      7.660574
  C      -7.210105     -7.816659      8.361746
  C      -7.844021     -7.255771      9.470022
  C      -7.500926     -5.956998      9.876246
  S      -8.259978     -5.158327     11.261520
  C      -6.534236     -5.233402      9.165542
  H      -2.477234     -0.279557     -0.547607
  H      -3.240390     -0.014117      1.036126
  H      -4.206430     -0.612309     -0.324624
  H      -1.859002     -2.133767      0.991861
  H      -2.852885     -2.754391     -0.331413
  H      -3.917230     -1.953873      2.415858
  H      -5.342736     -2.951610     -0.029175
  H      -5.661674     -3.860691      1.444674
  H      -6.106602     -1.605424      2.483590
  H      -6.640125     -1.838102     -1.188580
  H      -7.519807      0.081710     -2.456661
  H      -8.103748      2.215976     -1.328746
  H      -8.346188      3.677692      0.480716
  H      -6.831432      0.505424      2.434585
  H     -10.162974     -6.854318      5.488542
  H      -9.842351     -5.108432      5.409642
  H      -8.978411     -6.115239      6.589543
  H      -8.687902     -6.359292      3.522137
  H      -7.870131     -7.373153      4.719729
  H      -6.824158     -5.339701      5.700714
  H      -8.553956     -3.952628      3.718730
  H      -6.877137     -3.381129      3.775807
  H      -7.557638     -3.716700      6.422263
  H      -8.413801     -1.409327      3.668771
  H      -8.477349      1.042984      4.022951
  H      -8.020618      2.030354      6.248485
  H      -7.360084      2.025222      8.487641
  H      -7.402867     -1.948422      7.839731
  H      -0.614048     -6.482775      7.454335
  H      -1.104075     -5.628315      8.929548
  H       0.466224     -5.286821      8.187307
  H      -1.094205     -3.445305      7.710276
  H      -0.598925     -4.225780      6.216974
  H      -2.963900     -3.435154      6.498556
  H      -3.270005     -5.924583      8.249012
  H      -3.569203     -4.214168      8.685525
  H      -4.790396     -5.474907      6.391597
  H      -5.739472     -7.548048      6.793825
  H      -7.481224     -8.825649      8.044234
  H      -8.603061     -7.820823     10.013046
  H      -9.118784     -6.159375     11.562301
  H      -6.285026     -4.210310      9.455519
  N      -4.853878     -2.828954      5.148361
  H      -5.113981     -3.234383      6.065004
  H      -5.645829     -2.238530      4.874414
  H      -4.074466     -2.178159      5.320766
  N      -1.975588     -2.104030      4.335791
  N      -1.124129     -1.616795      3.818955
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5658515-4aaE/orca E -7240.562128772105
  N      -3.329790     -3.912675      2.251485
  C      -2.770390     -4.903272      1.349676
  C      -2.362248     -6.122524      2.158116
  N      -3.441469     -6.499483      3.096737
  C      -4.602391     -7.113407      2.422757
  C      -5.831362     -6.968820      3.294453
  N      -5.898780     -5.611348      3.835773
  Mo     -4.132905     -4.613736      3.947673
  N      -2.951711     -5.218276      5.459373
  C      -2.232934     -6.472832      5.263345
  C      -2.950138     -7.322673      4.224831
  H      -2.179302     -7.075896      6.189537
  H      -1.182358     -6.293720      4.956293
  H      -3.835384     -7.778860      4.688511
  H      -2.301080     -8.139956      3.858189
  H      -6.710960     -7.215537      2.673554
  H      -5.810392     -7.741172      4.094597
  H      -4.756638     -6.561926      1.485661
  H      -4.412691     -8.176270      2.173081
  H      -1.871171     -4.533769      0.821293
  H      -3.489194     -5.194723      0.553152
  H      -1.486225     -5.871375      2.772804
  H      -2.093128     -6.968332      1.496372
  C      -3.224010     -0.652755      0.201358
  C      -2.870603     -2.084290      0.599758
  C      -3.839002     -2.693319      1.625439
  C      -5.288229     -2.884591      1.071576
  N      -6.222568     -1.851402      1.501559
  C      -6.670913     -0.804456      0.718179
  C      -6.865785     -0.917949     -0.674767
  C      -7.372168      0.163163     -1.393899
  C      -7.707232      1.368943     -0.776190
  C      -7.516909      1.484492      0.609621
  S      -7.894485      2.970505      1.504131
  C      -6.997058      0.416965      1.342304
  C      -9.388046     -6.082385      5.534511
  C      -8.269935     -6.359000      4.527216
  C      -7.124007     -5.334280      4.629294
  C      -7.646727     -3.909686      4.346132
  N      -7.925130     -3.219725      5.602633
  C      -7.933034     -1.848665      5.727953
  C      -8.202189     -0.996145      4.635972
  C      -8.249239      0.384918      4.839465
  C      -8.010134      0.953127      6.088920
  C      -7.711317      0.106161      7.170573
  S      -7.376209      0.727212      8.797775
  C      -7.672045     -1.276213      6.992997
  C      -0.574518     -5.535697      7.956591
  C      -1.185032     -4.399063      7.131099
  C      -2.668682     -4.495722      6.705536
  C      -3.587288     -4.972140      7.857429
  N      -4.958963     -5.056861      7.315158
  C      -5.892524     -5.809703      8.067593
  C      -6.274636     -7.099316      7.661778
  C      -7.251904     -7.792739      8.374945
  C      -7.844947     -7.231710      9.505501
  C      -7.456761     -5.948964      9.922218
  S      -8.159456     -5.151806     11.337876
  C      -6.488090     -5.240698      9.199325
  H      -2.473708     -0.241724     -0.489754
  H      -3.262783      0.003898      1.084414
  H      -4.202768     -0.591684     -0.295550
  H      -1.859910     -2.104112      1.039610
  H      -2.833828     -2.721933     -0.299457
  H      -3.930079     -1.956274      2.445539
  H      -5.321259     -2.939197     -0.025091
  H      -5.658074     -3.857158      1.441147
  H      -6.111469     -1.596258      2.481009
  H      -6.639242     -1.851064     -1.190142
  H      -7.519167      0.060193     -2.471333
  H      -8.107375      2.200524     -1.357032
  H      -8.356007      3.672142      0.443765
  H      -6.835669      0.515070      2.417816
  H     -10.178069     -6.843697      5.456027
  H      -9.852365     -5.098796      5.375887
  H      -9.002963     -6.104519      6.567055
  H      -8.681689     -6.355550      3.503657
  H      -7.879615     -7.370563      4.710453
  H      -6.832241     -5.341467      5.697991
  H      -8.544714     -3.947403      3.705465
  H      -6.866152     -3.382145      3.773778
  H      -7.562375     -3.711130      6.415865
  H      -8.413159     -1.414268      3.651699
  H      -8.491814      1.038542      3.998904
  H      -8.054344      2.034244      6.224435
  H      -7.414107      2.038701      8.468841
  H      -7.427409     -1.936904      7.830769
  H      -0.594139     -6.502473      7.436530
  H      -1.092646     -5.663987      8.918104
  H       0.477688     -5.307460      8.183070
  H      -1.086092     -3.468994      7.715724
  H      -0.591135     -4.238533      6.216606
  H      -2.956788     -3.454860      6.506163
  H      -3.259425     -5.958032      8.237454
  H      -3.553865     -4.251537      8.689753
  H      -4.791450     -5.500112      6.392788
  H      -5.808303     -7.541993      6.779141
  H      -7.556989     -8.789481      8.049740
  H      -8.605859     -7.784495     10.058448
  H      -9.037747     -6.133646     11.645608
  H      -6.204703     -4.229073      9.498077
  N      -4.846013     -2.838049      5.161241
  H      -5.103535     -3.248951      6.076126
  H      -5.639093     -2.247387      4.891260
  H      -4.066279     -2.188134      5.334767
  N      -1.965572     -2.085971      4.362498
  N      -1.112674     -1.611972      3.835311
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5658515-4aaE/orca E -7240.563096636975
  N      -3.330051     -3.909553      2.261467
  C      -2.774176     -4.894021      1.350091
  C      -2.364900     -6.120218      2.147914
  N      -3.440552     -6.501437      3.089619
  C      -4.604234     -7.113215      2.417378
  C      -5.831051     -6.971552      3.293442
  N      -5.897894     -5.614204      3.836648
  Mo     -4.130872     -4.621571      3.952928
  N      -2.942589     -5.230706      5.455733
  C      -2.222497     -6.483453      5.250998
  C      -2.943834     -7.329839      4.211959
  H      -2.163405     -7.090729      6.174031
  H      -1.173691     -6.301372      4.939568
  H      -3.826696     -7.788445      4.677869
  H      -2.296268     -8.145233      3.838588
  H      -6.711810     -7.218479      2.674377
  H      -5.807004     -7.745232      4.092378
  H      -4.761698     -6.558194      1.482787
  H      -4.415168     -8.175078      2.163231
  H      -1.876131     -4.521148      0.822126
  H      -3.495718     -5.178604      0.553548
  H      -1.484774     -5.876138      2.759501
  H      -2.101780     -6.961953      1.478640
  C      -3.226026     -0.628350      0.244096
  C      -2.866253     -2.060118      0.635833
  C      -3.840856     -2.685679      1.645986
  C      -5.283357     -2.878075      1.075964
  N      -6.222802     -1.846903      1.498898
  C      -6.672710     -0.805328      0.709323
  C      -6.864476     -0.927067     -0.683328
  C      -7.371392      0.149040     -1.409563
  C      -7.710263      1.357526     -0.799200
  C      -7.522994      1.481190      0.586323
  S      -7.904819      2.971514      1.471768
  C      -7.002316      0.418884      1.325986
  C      -9.402194     -6.073725      5.507957
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  C      -3.576447     -4.999938      7.855069
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  C      -7.410509     -5.943915      9.968317
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  H      -2.468575     -0.204915     -0.431519
  H      -3.284883      0.020484      1.131786
  H      -4.197146     -0.571574     -0.268048
  H      -1.860426     -2.076144      1.086745
  H      -2.814662     -2.690401     -0.267814
  H      -3.942403     -1.959135      2.474184
  H      -5.299556     -2.926793     -0.021361
  H      -5.653823     -3.853182      1.437262
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  H      -6.635400     -1.862854     -1.192698
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  H      -8.110841      2.185080     -1.385437
  H      -8.367522      3.665687      0.407025
  H      -6.841814      0.523756      2.401016
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  H      -9.862255     -5.089316      5.342418
  H      -9.027625     -6.094456      6.544260
  H      -8.675833     -6.351420      3.485125
  H      -7.889607     -7.368091      4.700570
  H      -6.840566     -5.343970      5.695281
  H      -8.536077     -3.941963      3.693718
  H      -6.855759     -3.383186      3.771990
  H      -7.564855     -3.705830      6.410079
  H      -8.413573     -1.419890      3.636064
  H      -8.507875      1.033289      3.976114
  H      -8.087832      2.037548      6.201020
  H      -7.465610      2.051792      8.449862
  H      -7.449758     -1.925609      7.822368
  H      -0.575720     -6.521050      7.419347
  H      -1.081391     -5.697589      8.906935
  H       0.488695     -5.327332      8.178252
  H      -1.078278     -3.491477      7.720626
  H      -0.583879     -4.250585      6.215974
  H      -2.950109     -3.473507      6.513145
  H      -3.249228     -5.989316      8.226617
  H      -3.539282     -4.286557      8.693315
  H      -4.793002     -5.524192      6.394363
  H      -5.881516     -7.530329      6.762365
  H      -7.635534     -8.748307      8.053136
  H      -8.608084     -7.748567     10.102694
  H      -8.954669     -6.112173     11.727192
  H      -6.121103     -4.252692      9.542330
  N      -4.839164     -2.846462      5.173589
  H      -5.094177     -3.262463      6.086790
  H      -5.633397     -2.255802      4.907233
  H      -4.059283     -2.197275      5.348208
  N      -1.956586     -2.069551      4.389248
  N      -1.102037     -1.607848      3.853471
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5658515-4aaE/orca E -7240.563986856403
  N      -3.330652     -3.906421      2.271547
  C      -2.778384     -4.885051      1.351019
  C      -2.368034     -6.117765      2.138684
  N      -3.440345     -6.502981      3.083229
  C      -4.606535     -7.112710      2.412434
  C      -5.831474     -6.973818      3.292303
  N      -5.897711     -5.616733      3.837735
  Mo     -4.129546     -4.628937      3.958383
  N      -2.934296     -5.242222      5.452491
  C      -2.213269     -6.493399      5.239594
  C      -2.938659     -7.336412      4.200081
  H      -2.149283     -7.104555      6.159653
  H      -1.166099     -6.308753      4.924117
  H      -3.819334     -7.797250      4.668086
  H      -2.292599     -8.150029      3.820337
  H      -6.713175     -7.220584      2.674625
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  H      -4.766838     -6.554348      1.480205
  H      -4.418025     -8.173607      2.154093
  H      -1.881523     -4.509042      0.823321
  H      -3.502689     -5.163030      0.554649
  H      -1.484081     -5.880317      2.747285
  H      -2.110621     -6.955637      1.462425
  C      -3.227124     -0.604629      0.286607
  C      -2.861621     -2.036677      0.671891
  C      -3.842581     -2.678124      1.666214
  C      -5.278119     -2.871171      1.079833
  N      -6.222657     -1.841917      1.495411
  C      -6.674217     -0.805914      0.699578
  C      -6.861866     -0.935642     -0.692888
  C      -7.369573      0.135269     -1.426226
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  C      -7.530254      1.477522      0.562219
  S      -7.917946      2.971592      1.438710
  C      -7.008605      0.420622      1.308909
  C      -9.416597     -6.065907      5.481579
  C      -8.279423     -6.351842      4.499033
  C      -7.128633     -5.334904      4.620635
  C      -7.637292     -3.906355      4.334141
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  C      -7.950131     -1.843318      5.704623
  C      -8.218023     -0.999919      4.605078
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  C      -8.061537      0.959696      6.048316
  C      -7.765031      0.122274      7.137943
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  C      -1.167673     -4.435854      7.129576
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  C      -3.566186     -5.026232      7.853076
  N      -4.942547     -5.100308      7.321000
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  C      -7.362284     -5.943704     10.014523
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  C      -6.390567     -5.264496      9.269018
  H      -2.462197     -0.168988     -0.372579
  H      -3.306710      0.036058      1.178563
  H      -4.189855     -0.551634     -0.241506
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  H      -3.954702     -1.962146      2.502204
  H      -5.277630     -2.914114     -0.017852
  H      -5.649432     -3.848551      1.433094
  H      -6.120837     -1.577934      2.473712
  H      -6.629232     -1.873731     -1.196352
  H      -7.511103      0.019855     -2.503097
  H      -8.114611      2.169396     -1.414778
  H      -8.381313      3.658339      0.369463
  H      -6.849943      0.532008      2.383589
  H     -10.208567     -6.823674      5.389954
  H      -9.872460     -5.080744      5.309281
  H      -9.052839     -6.085447      6.521558
  H      -8.669925     -6.347925      3.467147
  H      -7.899333     -7.365795      4.691322
  H      -6.849172     -5.346774      5.692928
  H      -8.528624     -3.936587      3.683579
  H      -6.846503     -3.384436      3.770325
  H      -7.566117     -3.700199      6.404890
  H      -8.414737     -1.425833      3.621219
  H      -8.523528      1.027727      3.953327
  H      -8.118292      2.041053      6.176749
  H      -7.511766      2.065475      8.429225
  H      -7.469114     -1.913719      7.813835
  H      -0.558663     -6.538343      7.402889
  H      -1.070326     -5.729098      8.896223
  H       0.499207     -5.346126      8.173037
  H      -1.070985     -3.512637      7.725285
  H      -0.577392     -4.261689      6.215304
  H      -2.944161     -3.491052      6.519986
  H      -3.239339     -6.018721      8.216615
  H      -3.525319     -4.319636      8.696757
  H      -4.795275     -5.547253      6.396639
  H      -5.957959     -7.512647      6.743767
  H      -7.714906     -8.703305      8.054547
  H      -8.608238     -7.715735     10.145915
  H      -8.870871     -6.097596     11.805858
  H      -6.035899     -4.281977      9.588055
  N      -4.833411     -2.854173      5.185861
  H      -5.085961     -3.274928      6.097461
  H      -5.628823     -2.263723      4.922838
  H      -4.053522     -2.205571      5.361537
  N      -1.948592     -2.054039      4.416649
  N      -1.092140     -1.604006      3.873638
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5658515-4aaE/orca E -7240.564809033037
  N      -3.331954     -3.903535      2.281925
  C      -2.783535     -4.876626      1.352455
  C      -2.372187     -6.115617      2.130238
  N      -3.441265     -6.504450      3.077619
  C      -4.610018     -7.112015      2.408175
  C      -5.833262     -6.975518      3.291533
  N      -5.898545     -5.618757      3.839554
  Mo     -4.128978     -4.636184      3.964324
  N      -2.926551     -5.253303      5.449635
  C      -2.205274     -6.503366      5.229015
  C      -2.935036     -7.342908      4.189172
  H      -2.136931     -7.118097      6.146293
  H      -1.159606     -6.316828      4.909621
  H      -3.813781     -7.805516      4.659296
  H      -2.290795     -8.155052      3.803285
  H      -6.715795     -7.221584      2.674882
  H      -5.804838     -7.752390      4.087389
  H      -4.772844     -6.550494      1.478179
  H      -4.422239     -8.172017      2.145875
  H      -1.887895     -4.497732      0.824811
  H      -3.510732     -5.148085      0.556479
  H      -1.484477     -5.884574      2.735768
  H      -2.120496     -6.949839      1.447400
  C      -3.227343     -0.581492      0.329606
  C      -2.857045     -2.014069      0.708243
  C      -3.844479     -2.670752      1.686515
  C      -5.272836     -2.863810      1.083632
  N      -6.222044     -1.836073      1.491640
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  C      -6.857839     -0.943610     -0.703026
  C      -7.366055      0.121971     -1.443754
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  S      -7.930780      2.972227      1.404174
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  C      -9.432099     -6.057064      5.455401
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  C      -7.634054     -3.904008      4.328495
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  C      -7.790340      0.131984      7.119802
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  C      -3.555365     -5.051312      7.851611
  N      -4.934197     -5.121421      7.325508
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  C      -6.395957     -7.060793      7.661728
  C      -7.377963     -7.710021      8.409370
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  C      -7.311963     -5.949289     10.060493
  S      -7.836656     -5.181048     11.566974
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  H      -2.454863     -0.134123     -0.312646
  H      -3.327376      0.050720      1.225531
  H      -4.181224     -0.531269     -0.214561
  H      -1.861396     -2.024628      1.181080
  H      -2.777206     -2.629256     -0.203641
  H      -3.967127     -1.965450      2.530052
  H      -5.255733     -2.901004     -0.014130
  H      -5.645319     -3.843212      1.429048
  H      -6.125410     -1.567778      2.469357
  H      -6.621314     -1.883949     -1.200398
  H      -7.503897      0.000377     -2.520406
  H      -8.116723      2.154068     -1.445513
  H      -8.394094      3.651508      0.330163
  H      -6.858302      0.541045      2.365371
  H     -10.224888     -6.813054      5.356687
  H      -9.883458     -5.071146      5.275907
  H      -9.079756     -6.075295      6.499078
  H      -8.664351     -6.344725      3.450148
  H      -7.909622     -7.362530      4.684103
  H      -6.858917     -5.348056      5.691079
  H      -8.522504     -3.930811      3.673725
  H      -6.838590     -3.385201      3.768121
  H      -7.567676     -3.693177      6.399409
  H      -8.417858     -1.431362      3.605850
  H      -8.541202      1.022539      3.929247
  H      -8.149443      2.045611      6.150527
  H      -7.557254      2.080862      8.406142
  H      -7.487735     -1.900109      7.804148
  H      -0.542102     -6.554913      7.386430
  H      -1.058195     -5.759017      8.885392
  H       0.510341     -5.364413      8.166442
  H      -1.063042     -3.532957      7.729062
  H      -0.571017     -4.272433      6.213829
  H      -2.938139     -3.507887      6.526584
  H      -3.228418     -6.046476      8.207644
  H      -3.510568     -4.350991      8.700171
  H      -4.797602     -5.569798      6.400125
  H      -6.031757     -7.491652      6.726812
  H      -7.789061     -8.658243      8.057165
  H      -8.603407     -7.688837     10.189175
  H      -8.786317     -6.091725     11.881248
  H      -5.950684     -4.316676      9.634165
  N      -4.828370     -2.861543      5.198529
  H      -5.078271     -3.286723      6.108690
  H      -5.625068     -2.271534      4.938662
  H      -4.048589     -2.213341      5.375018
  N      -1.941349     -2.039824      4.445026
  N      -1.082697     -1.601010      3.895955
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5658515-4aaE/orca E -7240.565568385620
  N      -3.333943     -3.900920      2.292634
  C      -2.790003     -4.868583      1.354038
  C      -2.377685     -6.113857      2.121768
  N      -3.443308     -6.506049      3.072316
  C      -4.614941     -7.111397      2.404658
  C      -5.836286     -6.976911      3.291790
  N      -5.900229     -5.620379      3.842354
  Mo     -4.128918     -4.643667      3.970746
  N      -2.918831     -5.264610      5.446790
  C      -2.197857     -6.513874      5.218439
  C      -2.932367     -7.349695      4.178342
  H      -2.125422     -7.132120      6.132967
  H      -1.153643     -6.325872      4.895113
  H      -3.809110     -7.814022      4.650680
  H      -2.290176     -8.160385      3.786088
  H      -6.719789     -7.222096      2.676286
  H      -5.806092     -7.755397      4.086034
  H      -4.780411     -6.546970      1.476794
  H      -4.428153     -8.170589      2.138620
  H      -1.895709     -4.487025      0.826099
  H      -3.520465     -5.133304      0.558800
  H      -1.486053     -5.889242      2.723886
  H      -2.132056     -6.944502      1.432455
  C      -3.226284     -0.558390      0.374305
  C      -2.852597     -1.992101      0.745216
  C      -3.846521     -2.663428      1.707277
  C      -5.267526     -2.855625      1.087846
  N      -6.220741     -1.828846      1.488231
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  C      -7.714915      1.325018     -0.873989
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  S      -7.942163      2.974317      1.368479
  C      -7.019447      0.426890      1.272805
  C      -9.447693     -6.046830      5.431462
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  C      -7.631976     -3.900874      4.322471
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  C      -7.819077      0.144241      7.098352
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  C      -7.831606     -7.155578      9.643686
  C      -7.259665     -5.959791     10.106026
  S      -7.725509     -5.209126     11.640755
  C      -6.287516     -5.304654      9.340543
  H      -2.446523     -0.100096     -0.251172
  H      -3.345034      0.064879      1.274218
  H      -4.171417     -0.509115     -0.184960
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  H      -5.233891     -2.886943     -0.009718
  H      -5.641539     -3.836870      1.425448
  H      -6.129369     -1.556331      2.465331
  H      -6.611690     -1.893107     -1.204089
  H      -7.494076     -0.018234     -2.537992
  H      -8.116272      2.139797     -1.477241
  H      -8.404768      3.646044      0.289447
  H      -6.866128      0.551732      2.346816
  H     -10.241355     -6.800975      5.326145
  H      -9.894337     -5.060184      5.244537
  H      -9.106465     -6.063405      6.478616
  H      -8.659680     -6.341810      3.435560
  H      -7.920184     -7.358108      4.679918
  H      -6.869364     -5.346873      5.689951
  H      -8.517539     -3.925006      3.663575
  H      -6.832007     -3.385363      3.765160
  H      -7.570243     -3.683887      6.393332
  H      -8.423066     -1.437101      3.588415
  H      -8.562537      1.017135      3.901239
  H      -8.185149      2.051724      6.119617
  H      -7.608111      2.099662      8.378401
  H      -7.508334     -1.883191      7.792543
  H      -0.525487     -6.572081      7.368964
  H      -1.044380     -5.789119      8.873732
  H       0.522727     -5.383765      8.157813
  H      -1.053744     -3.553820      7.731932
  H      -0.564176     -4.283765      6.211267
  H      -2.931377     -3.524952      6.533007
  H      -3.215825     -6.073912      8.199237
  H      -3.494189     -4.382003      8.703454
  H      -4.799633     -5.592623      6.404663
  H      -6.101593     -7.469438      6.713228
  H      -7.858195     -8.613612      8.062370
  H      -8.594543     -7.666529     10.232722
  H      -8.698591     -6.094563     11.955344
  H      -5.864427     -4.356842      9.680123
  N      -4.823404     -2.869063      5.211931
  H      -5.070420     -3.298488      6.120743
  H      -5.621472     -2.279649      4.955151
  H      -4.043769     -2.221146      5.389031
  N      -1.934390     -2.027230      4.474818
  N      -1.073217     -1.599318      3.920720
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5658515-4aaE/orca E -7240.566272323566
  N      -3.336646     -3.898795      2.303369
  C      -2.797510     -4.861041      1.355520
  C      -2.384124     -6.112520      2.113078
  N      -3.446164     -6.507921      3.066971
  C      -4.620854     -7.111109      2.401394
  C      -5.840153     -6.978416      3.292527
  N      -5.902605     -5.621998      3.845452
  Mo     -4.129358     -4.651584      3.977211
  N      -2.911304     -5.276256      5.443671
  C      -2.191099     -6.525025      5.207746
  C      -2.930415     -7.356910      4.167276
  H      -2.115073     -7.146730      6.119570
  H      -1.148210     -6.335940      4.880746
  H      -3.805100     -7.823107      4.641705
  H      -2.290318     -8.166035      3.768484
  H      -6.724718     -7.222797      2.678326
  H      -5.808085     -7.758313      4.085334
  H      -4.789076     -6.544026      1.475550
  H      -4.435168     -8.169545      2.131854
  H      -1.904686     -4.476829      0.827089
  H      -3.531436     -5.118962      0.561262
  H      -1.488524     -5.894204      2.711564
  H      -2.144677     -6.939638      1.417453
  C      -3.223344     -0.535506      0.420686
  C      -2.847894     -1.971050      0.782599
  C      -3.848595     -2.656380      1.728034
  C      -5.261956     -2.846645      1.091595
  N      -6.218295     -1.820043      1.484269
  C      -6.672772     -0.801478      0.668155
  C      -6.844696     -0.955838     -0.723825
  C      -7.352684      0.098834     -1.480215
  C      -7.712683      1.316458     -0.900766
  C      -7.545193      1.472229      0.484062
  S      -7.952264      2.977692      1.331628
  C      -7.023036      0.432209      1.253700
  C      -9.463373     -6.035393      5.408683
  C      -8.298084     -6.337458      4.465681
  C      -7.141707     -5.330259      4.611643
  C      -7.630543     -3.897364      4.316239
  N      -7.931944     -3.200597      5.561186
  C      -7.982831     -1.828253      5.663895
  C      -8.253743     -1.002634      4.551526
  C      -8.345288      0.379519      4.729041
  C      -8.149265      0.976290      5.972779
  C      -7.850895      0.157239      7.075677
  S      -7.566730      0.816166      8.697612
  C      -7.768386     -1.226472      6.923763
  C      -0.510465     -5.643179      7.907524
  C      -1.139726     -4.488155      7.122882
  C      -2.626746     -4.586180      6.706922
  C      -3.530349     -5.101626      7.849160
  N      -4.914614     -5.165971      7.337615
  C      -5.856916     -5.852812      8.131240
  C      -6.465585     -7.032478      7.670043
  C      -7.446339     -7.657607      8.439552
  C      -7.821646     -7.142846      9.679896
  C      -7.206385     -5.972187     10.150993
  S      -7.614476     -5.240776     11.711582
  C      -6.234507     -5.328628      9.375755
  H      -2.436636     -0.067357     -0.188539
  H      -3.358436      0.078479      1.324709
  H      -4.160127     -0.485083     -0.152305
  H      -1.861976     -1.982055      1.275011
  H      -2.744613     -2.568948     -0.138302
  H      -3.991613     -1.973076      2.586296
  H      -5.211629     -2.871843     -0.005487
  H      -5.638242     -3.829583      1.421176
  H      -6.132091     -1.543325      2.460669
  H      -6.600320     -1.900787     -1.208371
  H      -7.482003     -0.035483     -2.556370
  H      -8.113765      2.126833     -1.510068
  H      -8.414091      3.641772      0.247570
  H      -6.872945      0.563980      2.327344
  H     -10.258144     -6.787444      5.297227
  H      -9.904905     -5.047928      5.214324
  H      -9.132805     -6.050110      6.459099
  H      -8.656087     -6.338623      3.422054
  H      -7.931607     -7.353028      4.676760
  H      -6.880421     -5.344645      5.688943
  H      -8.513341     -3.919072      3.653435
  H      -6.826236     -3.385248      3.761725
  H      -7.572879     -3.673575      6.386939
  H      -8.430735     -1.443233      3.570445
  H      -8.588387      1.011099      3.872061
  H      -8.225935      2.057935      6.087186
  H      -7.664736      2.119401      8.349085
  H      -7.529582     -1.864989      7.779987
  H      -0.508621     -6.589298      7.350585
  H      -1.029177     -5.818867      8.861188
  H       0.536066     -5.403209      8.147296
  H      -1.043795     -3.574794      7.733627
  H      -0.557240     -4.295260      6.207473
  H      -2.924425     -3.542346      6.538907
  H      -3.201742     -6.101168      8.191030
  H      -3.476501     -4.412812      8.706245
  H      -4.801804     -5.616180      6.409973
  H      -6.167303     -7.447300      6.705011
  H      -7.923261     -8.568633      8.072541
  H      -8.583475     -7.645152     10.277594
  H      -8.606028     -6.103994     12.030020
  H      -5.778008     -4.399868      9.724204
  N      -4.818755     -2.876827      5.225357
  H      -5.062658     -3.310257      6.132910
  H      -5.618357     -2.288326      4.971498
  H      -4.039410     -2.228974      5.402852
  N      -1.927724     -2.015462      4.506209
  N      -1.063626     -1.598507      3.947912
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5658515-4aaE/orca E -7240.566924501552
  N      -3.339689     -3.896881      2.314150
  C      -2.805761     -4.853648      1.356843
  C      -2.391373     -6.111406      2.103927
  N      -3.449737     -6.510016      3.061224
  C      -4.627709     -7.110842      2.397880
  C      -5.844775     -6.979878      3.293296
  N      -5.905312     -5.623724      3.849064
  Mo     -4.129973     -4.659943      3.983789
  N      -2.903591     -5.288737      5.440132
  C      -2.184753     -6.537306      5.196450
  C      -2.929127     -7.364758      4.155419
  H      -2.105569     -7.162608      6.105483
  H      -1.143090     -6.347515      4.865944
  H      -3.801744     -7.832944      4.631799
  H      -2.291278     -8.172190      3.749732
  H      -6.730569     -7.223064      2.680482
  H      -5.810834     -7.761386      4.084427
  H      -4.798750     -6.541072      1.474113
  H      -4.443339     -8.168526      2.124774
  H      -1.914462     -4.466817      0.827816
  H      -3.543343     -5.104528      0.563751
  H      -1.491790     -5.899424      2.698663
  H      -2.158238     -6.934919      1.401997
  C      -3.218996     -0.512760      0.468484
  C      -2.843161     -1.950783      0.820016
  C      -3.850539     -2.649318      1.748947
  C      -5.256278     -2.836469      1.095874
  N      -6.214666     -1.809225      1.481112
  C      -6.669455     -0.796569      0.657939
  C      -6.835433     -0.959275     -0.733837
  C      -7.342899      0.089829     -1.498312
  C      -7.708399      1.309766     -0.927249
  C      -7.546909      1.473789      0.457344
  S      -7.960942      2.982958      1.294818
  C      -7.025176      0.439589      1.235044
  C      -9.478230     -6.023403      5.388367
  C      -8.305153     -6.331715      4.457357
  C      -7.146856     -5.327686      4.609656
  C      -7.629474     -3.893823      4.309911
  N      -7.935653     -3.194261      5.551700
  C      -7.997750     -1.821817      5.647666
  C      -8.271240     -1.004120      4.530109
  C      -8.374825      0.378066      4.700006
  C      -8.188663      0.982819      5.941450
  C      -7.888018      0.171919      7.049709
  S      -7.614951      0.841500      8.669150
  C      -7.793401     -1.211877      6.905197
  C      -0.495400     -5.665951      7.894420
  C      -1.128857     -4.507246      7.118688
  C      -2.617021     -4.605216      6.706212
  C      -3.516064     -5.128080      7.847727
  N      -4.903231     -5.190094      7.344763
  C      -5.845386     -5.864281      8.147397
  C      -6.496600     -7.018526      7.679580
  C      -7.476499     -7.631051      8.460187
  C      -7.809820     -7.129966      9.718004
  C      -7.151718     -5.985585     10.195697
  S      -7.503356     -5.273978     11.779341
  C      -6.180242     -5.354091      9.410421
  H      -2.426082     -0.035953     -0.125770
  H      -3.367315      0.091772      1.376850
  H      -4.148389     -0.459211     -0.116087
  H      -1.861629     -1.964569      1.320827
  H      -2.730475     -2.539053     -0.105943
  H      -4.003142     -1.977074      2.614243
  H      -5.189664     -2.855371     -0.000474
  H      -5.635386     -3.820892      1.417357
  H      -6.133144     -1.528290      2.456679
  H      -6.587127     -1.906523     -1.211783
  H      -7.467544     -0.050950     -2.574169
  H      -8.109009      2.115654     -1.542745
  H      -8.421509      3.639379      0.205604
  H      -6.878770      0.578434      2.308299
  H     -10.274230     -6.773299      5.271610
  H      -9.914594     -5.035138      5.186809
  H      -9.157364     -6.035964      6.441690
  H      -8.653503     -6.335310      3.410481
  H      -7.943200     -7.347659      4.674879
  H      -6.891160     -5.341531      5.688474
  H      -8.509422     -3.913687      3.643158
  H      -6.820949     -3.385119      3.758044
  H      -7.575726     -3.661659      6.380267
  H      -8.440285     -1.451055      3.550509
  H      -8.619459      1.003162      3.838733
  H      -8.274306      2.064390      6.049840
  H      -7.730442      2.141752      8.314964
  H      -7.553249     -1.843947      7.765801
  H      -0.491441     -6.608037      7.330743
  H      -1.012350     -5.850037      8.847449
  H       0.550683     -5.424631      8.134673
  H      -1.032548     -3.597351      7.734495
  H      -0.549648     -4.308024      6.202596
  H      -2.916597     -3.560877      6.544638
  H      -3.186060     -6.129517      8.182619
  H      -3.457023     -4.444730      8.708661
  H      -4.803732     -5.640704      6.415962
  H      -6.229485     -7.425528      6.702232
  H      -7.985152     -8.522673      8.088182
  H      -8.570791     -7.622995     10.324322
  H      -8.508689     -6.118193     12.105198
  H      -5.690718     -4.445248      9.766094
  N      -4.813795     -2.885127      5.239547
  H      -5.054341     -3.322546      6.145825
  H      -5.615060     -2.297713      4.988771
  H      -4.034786     -2.237232      5.417291
  N      -1.921059     -2.005173      4.539472
  N      -1.053651     -1.598937      3.978029
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5658515-4aaE/orca E -7240.567524520764
  N      -3.342520     -3.894981      2.325109
  C      -2.814491     -4.846261      1.358200
  C      -2.399438     -6.110417      2.094445
  N      -3.453978     -6.512204      3.055181
  C      -4.635609     -7.110105      2.394296
  C      -5.850107     -6.980766      3.294409
  N      -5.907866     -5.625286      3.853969
  Mo     -4.130239     -4.668522      3.990761
  N      -2.895209     -5.302372      5.436301
  C      -2.178506     -6.550957      5.184333
  C      -2.928478     -7.373226      4.142685
  H      -2.096349     -7.180139      6.090363
  H      -1.138048     -6.360844      4.850228
  H      -3.799019     -7.843387      4.620993
  H      -2.293226     -8.178918      3.729608
  H      -6.737444     -7.221855      2.683082
  H      -5.814458     -7.764420      4.083298
  H      -4.809530     -6.537385      1.472813
  H      -4.453038     -8.167029      2.117313
  H      -1.924687     -4.457095      0.828419
  H      -3.556007     -5.089699      0.566490
  H      -1.495827     -5.905009      2.685333
  H      -2.172857     -6.930181      1.386098
  C      -3.213443     -0.490951      0.516157
  C      -2.838534     -1.931937      0.856414
  C      -3.852004     -2.642210      1.770075
  C      -5.250826     -2.825140      1.102293
  N      -6.210008     -1.796403      1.480829
  C      -6.664617     -0.789479      0.650546
  C      -6.825744     -0.960995     -0.740786
  C      -7.332260      0.082546     -1.513498
  C      -7.701786      1.305324     -0.951222
  C      -7.545244      1.478104      0.432872
  S      -7.964605      2.991559      1.259817
  C      -7.024344      0.449702      1.218766
  C      -9.491361     -6.010635      5.372453
  C      -8.311710     -6.325297      4.452095
  C      -7.151556     -5.324057      4.608940
  C      -7.628429     -3.889778      4.302838
  N      -7.941100     -3.186159      5.540374
  C      -8.016270     -1.813723      5.627840
  C      -8.292349     -1.005830      4.503879
  C      -8.410879      0.376200      4.664363
  C      -8.237388      0.990602      5.902957
  C      -7.934358      0.189769      7.017834
  S      -7.675990      0.872238      8.634265
  C      -7.824811     -1.193930      6.882488
  C      -0.478836     -5.691764      7.879829
  C      -1.116207     -4.528903      7.113637
  C      -2.605729     -4.626020      6.705248
  C      -3.499855     -5.156273      7.846313
  N      -4.890019     -5.215430      7.352670
  C      -5.831521     -5.877162      8.164579
  C      -6.524653     -7.004877      7.691837
  C      -7.503343     -7.604712      8.483675
  C      -7.795127     -7.118109      9.757427
  C      -7.094706     -6.001297     10.240048
  S      -7.391004     -5.310334     11.844328
  C      -6.123751     -5.382177      9.444640
  H      -2.415316     -0.007012     -0.065205
  H      -3.371380      0.104406      1.429006
  H      -4.136865     -0.432644     -0.077297
  H      -1.860684     -1.949926      1.364042
  H      -2.718590     -2.510489     -0.074731
  H      -4.012717     -1.980448      2.641954
  H      -5.169536     -2.838000      0.006840
  H      -5.632968     -3.810725      1.416225
  H      -6.131991     -1.511058      2.455338
  H      -6.574716     -1.910939     -1.211843
  H      -7.453054     -0.065121     -2.588849
  H      -8.101642      2.106720     -1.573011
  H      -8.423663      3.640314      0.165417
  H      -6.881191      0.596037      2.291414
  H     -10.288546     -6.758582      5.251654
  H      -9.922930     -5.021762      5.163936
  H      -9.178891     -6.020528      6.428215
  H      -8.651744     -6.331852      3.402524
  H      -7.953948     -7.341442      4.675934
  H      -6.900798     -5.335794      5.689156
  H      -8.504738     -3.909026      3.631218
  H      -6.815429     -3.384463      3.754049
  H      -7.580132     -3.646472      6.372460
  H      -8.451156     -1.460461      3.526132
  H      -8.657012      0.993283      3.797772
  H      -8.334243      2.071924      6.003949
  H      -7.810463      2.168591      8.272647
  H      -7.583474     -1.818083      7.748480
  H      -0.473917     -6.629710      7.309344
  H      -0.993434     -5.883928      8.832528
  H       0.567157     -5.449882      8.119806
  H      -1.018845     -3.622743      7.734740
  H      -0.540535     -4.323326      6.196759
  H      -2.906808     -3.581048      6.550608
  H      -3.168552     -6.159681      8.173941
  H      -3.435056     -4.478428      8.711016
  H      -4.804338     -5.665628      6.422635
  H      -6.288696     -7.403195      6.703053
  H      -8.043362     -8.476009      8.107758
  H      -8.555313     -7.601528     10.372291
  H      -8.408819     -6.135966     12.178742
  H      -5.601206     -4.494552      9.806480
  N      -4.807567     -2.894287      5.255441
  H      -5.044507     -3.335862      6.160423
  H      -5.610574     -2.307886      5.008328
  H      -4.028786     -2.246411      5.433267
  N      -1.914003     -1.998159      4.573615
  N      -1.043111     -1.601672      4.010253
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5658515-4aaE/orca E -7240.568074145108
  N      -3.345052     -3.893079      2.336473
  C      -2.823566     -4.838806      1.359828
  C      -2.408137     -6.109456      2.084861
  N      -3.458706     -6.514413      3.049049
  C      -4.644396     -7.108706      2.390848
  C      -5.855986     -6.980912      3.296062
  N      -5.910091     -5.626545      3.860326
  Mo     -4.129985     -4.677228      3.998258
  N      -2.886132     -5.317112      5.432384
  C      -2.172286     -6.565861      5.171588
  C      -2.928375     -7.382214      4.129304
  H      -2.087271     -7.199211      6.074385
  H      -1.133027     -6.375764      4.833749
  H      -3.796855     -7.854294      4.609519
  H      -2.296089     -8.186149      3.708394
  H      -6.745178     -7.219002      2.686329
  H      -5.818802     -7.767257      4.082143
  H      -4.821240     -6.532684      1.471910
  H      -4.464155     -8.164844      2.109594
  H      -1.935249     -4.447555      0.829122
  H      -3.569275     -5.074441      0.569716
  H      -1.500455     -5.910865      2.671793
  H      -2.188331     -6.925291      1.369956
  C      -3.206928     -0.470228      0.563463
  C      -2.833835     -1.914395      0.892101
  C      -3.852911     -2.635082      1.791631
  C      -5.245573     -2.812901      1.111000
  N      -6.204481     -1.781912      1.483458
  C      -6.658660     -0.780614      0.646088
  C      -6.816664     -0.961476     -0.744472
  C      -7.322098      0.076498     -1.525378
  C      -7.693887      1.302683     -0.972161
  C      -7.540600      1.484775      0.411095
  S      -7.963192      3.003160      1.227205
  C      -7.020598      0.462163      1.205102
  C      -9.502728     -5.996801      5.361136
  C      -8.317535     -6.318012      4.450305
  C      -7.155634     -5.319094      4.609605
  C      -7.627146     -3.884991      4.294931
  N      -7.948236     -3.175975      5.526944
  C      -8.038224     -1.803745      5.604148
  C      -8.316734     -1.007389      4.472678
  C      -8.452580      0.374210      4.622052
  C      -8.294196      0.999684      5.857186
  C      -7.988854      0.210672      6.979795
  S      -7.748268      0.907958      8.592608
  C      -7.862125     -1.172656      6.855306
  C      -0.460678     -5.720438      7.863870
  C      -1.101737     -4.553005      7.107830
  C      -2.592842     -4.648518      6.704215
  C      -3.481678     -5.186149      7.845102
  N      -4.874933     -5.241825      7.361385
  C      -5.815413     -5.891534      8.182466
  C      -6.549589     -6.991625      7.706071
  C      -7.526749     -7.578989      8.508976
  C      -7.777939     -7.107840      9.797157
  C      -7.036441     -6.019467     10.283235
  S      -7.278970     -5.349909     11.905805
  C      -6.065959     -5.412885      9.477946
  H      -2.404321      0.019649     -0.006655
  H      -3.371959      0.116314      1.480793
  H      -4.125462     -0.406218     -0.036888
  H      -1.859151     -1.937441      1.405403
  H      -2.708135     -2.483380     -0.044161
  H      -4.020413     -1.983198      2.669670
  H      -5.151274     -2.820102      0.016528
  H      -5.631006     -3.799335      1.418028
  H      -6.128709     -1.491751      2.456636
  H      -6.564427     -1.914562     -1.208422
  H      -7.440392     -0.078531     -2.599952
  H      -8.092972      2.099573     -1.600180
  H      -8.421383      3.644053      0.127852
  H      -6.879720      0.616419      2.276868
  H     -10.300997     -6.743093      5.237569
  H      -9.929948     -5.007587      5.145644
  H      -9.197534     -6.003349      6.418956
  H      -8.650522     -6.328346      3.398541
  H      -7.963539     -7.334108      4.680631
  H      -6.909190     -5.326856      5.691079
  H      -8.498895     -3.904913      3.617373
  H      -6.809295     -3.383137      3.749805
  H      -7.586384     -3.627643      6.363345
  H      -8.463270     -1.470885      3.497206
  H      -8.700038      0.981892      3.749241
  H      -8.404055      2.080525      5.949462
  H      -7.902606      2.199473      8.221814
  H      -7.619932     -1.787588      7.727582
  H      -0.455886     -6.654151      7.286527
  H      -0.972347     -5.920382      8.816534
  H       0.585564     -5.478706      8.102814
  H      -1.002633     -3.650828      7.734408
  H      -0.529901     -4.341075      6.190035
  H      -2.895050     -3.602788      6.557018
  H      -3.149230     -6.191644      8.165082
  H      -3.410533     -4.513924      8.713533
  H      -4.803385     -5.690816      6.430028
  H      -6.344838     -7.380024      6.706560
  H      -8.097424     -8.429154      8.130004
  H      -8.537254     -7.581716     10.420360
  H      -8.309156     -6.156309     12.249014
  H      -5.511207     -4.547340      9.844943
  N      -4.799939     -2.904448      5.273131
  H      -5.032999     -3.350389      6.176786
  H      -5.604819     -2.319012      5.030362
  H      -4.021303     -2.256624      5.450850
  N      -1.906324     -1.994458      4.608097
  N      -1.031941     -1.606796      4.043671
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5658515-4aaE/orca E -7240.568591372210
  N      -3.347617     -3.891027      2.348539
  C      -2.832966     -4.830927      1.361935
  C      -2.417201     -6.108179      2.075297
  N      -3.463707     -6.516497      3.042872
  C      -4.653751     -7.106606      2.387442
  C      -5.862241     -6.980448      3.298030
  N      -5.912083     -5.627572      3.867761
  Mo     -4.129412     -4.686077      4.006326
  N      -2.876638     -5.332781      5.428541
  C      -2.166161     -6.581775      5.158447
  C      -2.928679     -7.391566      4.115394
  H      -2.078450     -7.219573      6.057783
  H      -1.128076     -6.391907      4.816870
  H      -3.795144     -7.865600      4.597379
  H      -2.299622     -8.193660      3.686281
  H      -6.753481     -7.214880      2.689931
  H      -5.823644     -7.769920      4.080848
  H      -4.833528     -6.526912      1.471314
  H      -4.476208     -8.161882      2.101506
  H      -1.946202     -4.437526      0.830252
  H      -3.582987     -5.058530      0.573547
  H      -1.505465     -5.916534      2.658210
  H      -2.204227     -6.919834      1.353670
  C      -3.199722     -0.449974      0.611386
  C      -2.828840     -1.897321      0.928399
  C      -3.853508     -2.627741      1.813952
  C      -5.240269     -2.799721      1.121123
  N      -6.198104     -1.765790      1.487626
  C      -6.652193     -0.770438      0.643105
  C      -6.808494     -0.961224     -0.746368
  C      -7.313342      0.070886     -1.535407
  C      -7.686525      1.300760     -0.991471
  C      -7.535047      1.492746      0.390633
  S      -7.959774      3.016420      1.195627
  C      -7.015377      0.476234      1.192654
  C      -9.512820     -5.982116      5.353199
  C      -8.322770     -6.310082      4.451204
  C      -7.159218     -5.313163      4.611344
  C      -7.625442     -3.879615      4.286661
  N      -7.956024     -3.164166      5.512154
  C      -8.062060     -1.792409      5.577695
  C      -8.343163     -1.008899      4.438029
  C      -8.497402      0.371970      4.574958
  C      -8.355055      1.009475      5.805962
  C      -8.047153      0.233596      6.936952
  S      -7.825265      0.947057      8.545336
  C      -7.902165     -1.149054      6.824649
  C      -0.441126     -5.751071      7.846701
  C      -1.086040     -4.578854      7.101476
  C      -2.578922     -4.672505      6.703329
  C      -3.461928     -5.217851      7.844240
  N      -4.858331     -5.269679      7.371042
  C      -5.797707     -5.907413      8.201076
  C      -6.571962     -6.978849      7.722202
  C      -7.547825     -7.553509      8.535657
  C      -7.760000     -7.098354      9.836595
  C      -6.978839     -6.039127     10.324769
  S      -7.169639     -5.391185     11.963203
  C      -6.008393     -5.445553      9.510094
  H      -2.392950      0.045233      0.051847
  H      -3.370865      0.127946      1.533085
  H      -4.113794     -0.379913      0.004992
  H      -1.857275     -1.925755      1.447157
  H      -2.697671     -2.456796     -0.012831
  H      -4.027393     -1.985491      2.697871
  H      -5.133771     -2.801522      0.027725
  H      -5.629612     -3.786753      1.421534
  H      -6.123615     -1.470134      2.459140
  H      -6.555896     -1.917712     -1.203017
  H      -7.430282     -0.091987     -2.608949
  H      -8.085296      2.092897     -1.625648
  H      -8.418481      3.648843      0.091624
  H      -6.875860      0.638853      2.263314
  H     -10.312044     -6.727042      5.227840
  H      -9.936061     -4.992832      5.130536
  H      -9.214187     -5.984637      6.412842
  H      -8.649587     -6.324876      3.397601
  H      -7.972204     -7.325927      4.688204
  H      -6.916628     -5.315569      5.693932
  H      -8.492115     -3.901022      3.602623
  H      -6.802496     -3.381486      3.745466
  H      -7.593565     -3.605951      6.353489
  H      -8.476513     -1.482047      3.465333
  H      -8.746168      0.969242      3.695380
  H      -8.478707      2.089597      5.888493
  H      -7.999720      2.232898      8.163983
  H      -7.658851     -1.753788      7.703679
  H      -0.437126     -6.680408      7.262387
  H      -0.949293     -5.958784      8.799564
  H       0.605585     -5.509796      8.083958
  H      -0.984795     -3.680902      7.733735
  H      -0.518423     -4.360330      6.182645
  H      -2.882213     -3.625977      6.564138
  H      -3.128254     -6.225507      8.156044
  H      -3.383939     -4.551506      8.716460
  H      -4.801470     -5.716829      6.438312
  H      -6.397910     -7.356574      6.712955
  H      -8.148350     -8.381785      8.154388
  H      -8.518786     -7.562431     10.467664
  H      -8.209999     -6.179891     12.316595
  H      -5.422980     -4.602333      9.881108
  N      -4.791488     -2.915566      5.292399
  H      -5.020331     -3.366155      6.194623
  H      -5.598559     -2.331321      5.054601
  H      -4.013116     -2.267636      5.469893
  N      -1.898161     -1.992513      4.643692
  N      -1.020235     -1.613342      4.078631
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5658515-4aaE/orca E -7240.569078740396
  N      -3.350404     -3.888414      2.361372
  C      -2.842711     -4.822192      1.364639
  C      -2.426653     -6.106162      2.065891
  N      -3.469050     -6.518109      3.036736
  C      -4.663668     -7.103584      2.384102
  C      -5.868949     -6.979253      3.300253
  N      -5.914056     -5.628223      3.876162
  Mo     -4.128856     -4.694756      4.015032
  N      -2.867073     -5.348923      5.424909
  C      -2.160312     -6.598166      5.145076
  C      -2.929451     -7.400866      4.101100
  H      -2.070028     -7.240670      6.040732
  H      -1.123392     -6.408613      4.799787
  H      -3.793940     -7.876939      4.584678
  H      -2.303797     -8.200986      3.663477
  H      -6.762375     -7.209492      2.693809
  H      -5.829038     -7.772217      4.079411
  H      -4.846379     -6.519870      1.471043
  H      -4.489068     -8.157904      2.093097
  H      -1.957536     -4.426529      0.832018
  H      -3.597055     -5.041591      0.578033
  H      -1.510930     -5.921569      2.644778
  H      -2.220506     -6.913358      1.337386
  C      -3.192788     -0.429815      0.659701
  C      -2.823927     -1.880103      0.965499
  C      -3.854139     -2.619871      1.837055
  C      -5.235039     -2.785640      1.132388
  N      -6.191209     -1.748243      1.492816
  C      -6.645620     -0.759328      0.640941
  C      -6.801239     -0.960747     -0.747147
  C      -7.305968      0.065071     -1.544443
  C      -7.679975      1.298897     -1.010187
  C      -7.529200      1.501509      0.370465
  S      -7.955242      3.030903      1.163769
  C      -7.009373      0.491533      1.180612
  C      -9.521559     -5.967319      5.349037
  C      -8.327349     -6.301819      4.455035
  C      -7.162384     -5.306400      4.614336
  C      -7.623516     -3.873799      4.278567
  N      -7.964087     -3.150967      5.496693
  C      -8.086600     -1.779923      5.549169
  C      -8.369650     -1.010453      4.400548
  C      -8.542437      0.369442      4.523544
  C      -8.416845      1.019903      5.749661
  C      -8.106906      0.258370      6.889758
  S      -7.904453      0.989327      8.492826
  C      -7.943536     -1.123339      6.791130
  C      -0.420787     -5.782975      7.828713
  C      -1.069745     -4.605835      7.094907
  C      -2.564544     -4.697531      6.702797
  C      -3.441256     -5.251139      7.843811
  N      -4.840799     -5.298778      7.381618
  C      -5.779037     -5.924883      8.220146
  C      -6.592345     -6.966431      7.739436
  C      -7.567393     -7.528200      8.562630
  C      -7.742113     -7.090079      9.875008
  C      -6.922181     -6.061412     10.364745
  S      -7.062900     -5.436229     12.017280
  C      -5.951323     -5.481051      9.541350
  H      -2.382131      0.070477      0.110396
  H      -3.369877      0.139725      1.585497
  H      -4.102559     -0.353965      0.047628
  H      -1.855599     -1.913734      1.489818
  H      -2.687029     -2.430256      0.019606
  H      -4.034327     -1.987088      2.726586
  H      -5.116820     -2.782466      0.040155
  H      -5.628750     -3.772943      1.426489
  H      -6.117255     -1.446366      2.462328
  H      -6.548796     -1.920877     -1.196148
  H      -7.422393     -0.106204     -2.616711
  H      -8.078816      2.085938     -1.650607
  H      -8.415459      3.654137      0.055208
  H      -6.870544      0.663030      2.249970
  H     -10.321437     -6.711363      5.222861
  H      -9.941491     -4.978323      5.119172
  H      -9.228666     -5.965213      6.410194
  H      -8.649019     -6.321731      3.399976
  H      -7.979558     -7.317138      4.698770
  H      -6.922994     -5.302174      5.697827
  H      -8.484867     -3.897436      3.587857
  H      -6.795441     -3.379631      3.741273
  H      -7.601489     -3.581931      6.343510
  H      -8.488994     -1.493977      3.431170
  H      -8.791891      0.955378      3.636598
  H      -8.554369      2.099106      5.821302
  H      -8.097549      2.268769      8.099237
  H      -7.699367     -1.716908      7.677439
  H      -0.418088     -6.707786      7.237312
  H      -0.924976     -5.998507      8.781934
  H       0.626551     -5.542350      8.063750
  H      -0.966090     -3.712339      7.733045
  H      -0.506673     -4.380434      6.174979
  H      -2.868994     -3.650209      6.572189
  H      -3.106239     -6.261045      8.146781
  H      -3.356129     -4.591080      8.719997
  H      -4.799061     -5.743379      6.447481
  H      -6.448155     -7.332550      6.721361
  H      -8.197168     -8.333485      8.179355
  H      -8.500970     -7.544077     10.513198
  H      -8.111265     -6.209152     12.381674
  H      -5.336102     -4.661114      9.916010
  N      -4.782838     -2.927260      5.313245
  H      -5.007124     -3.382879      6.213865
  H      -5.592486     -2.344483      5.081005
  H      -4.004913     -2.279010      5.490539
  N      -1.890011     -1.991488      4.680701
  N      -1.008478     -1.620515      4.115437
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5658515-4aaE/orca E -7240.569537809296
  N      -3.353552     -3.885299      2.374951
  C      -2.852870     -4.812647      1.367934
  C      -2.436456     -6.103407      2.056658
  N      -3.474640     -6.519234      3.030718
  C      -4.674055     -7.099685      2.380954
  C      -5.875988     -6.977366      3.302887
  N      -5.915956     -5.628466      3.885533
  Mo     -4.128281     -4.703275      4.024378
  N      -2.857409     -5.365459      5.421535
  C      -2.154678     -6.614935      5.131559
  C      -2.930600     -7.410044      4.086540
  H      -2.061929     -7.262370      6.023336
  H      -1.118918     -6.425771      4.782575
  H      -3.793156     -7.888201      4.571566
  H      -2.308529     -8.208068      3.640137
  H      -6.771740     -7.203030      2.698188
  H      -5.834758     -7.774085      4.078070
  H      -4.859737     -6.511669      1.471192
  H      -4.502619     -8.152957      2.084554
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  H      -3.611533     -5.023762      0.583180
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  H      -2.237172     -6.905893      1.321149
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  C      -2.819037     -1.862624      1.003728
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  N      -6.183784     -1.729382      1.498608
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  C      -6.795307     -0.960488     -0.747181
  C      -7.300614      0.058474     -1.552878
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  H      -2.675665     -2.403690      0.053567
  H      -4.041568     -1.988175      2.755858
  H      -5.100155     -2.763049      0.053442
  H      -5.628529     -3.758091      1.432403
  H      -6.109655     -1.420596      2.465792
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  H      -7.417541     -0.121887     -2.623579
  H      -8.074345      2.078032     -1.675547
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  H      -6.863756      0.688817      2.236240
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  H      -9.946213     -4.963618      5.111452
  H      -9.241189     -5.944861      6.410926
  H      -8.648769     -6.318601      3.405586
  H      -7.985706     -7.307470      4.712323
  H      -6.928256     -5.286603      5.702779
  H      -8.477299     -3.893911      3.573569
  H      -6.788208     -3.377405      3.737155
  H      -7.609535     -3.555762      6.333578
  H      -8.500615     -1.506212      3.395593
  H      -8.836996      0.940609      3.574346
  H      -8.630325      2.108865      5.749424
  H      -8.194619      2.306484      8.028877
  H      -7.740701     -1.677411      7.649412
  H      -0.398558     -6.736026      7.211094
  H      -0.899009     -6.039247      8.763458
  H       0.648750     -5.576046      8.041801
  H      -0.946298     -3.744887      7.732062
  H      -0.494632     -4.401201      6.166748
  H      -2.855353     -3.675401      6.581164
  H      -3.082804     -6.298164      8.137253
  H      -3.326690     -4.632631      8.724184
  H      -4.796069     -5.770518      6.457746
  H      -6.494321     -7.308310      6.731496
  H      -8.243314     -8.284661      8.203908
  H      -8.484458     -7.526874     10.555987
  H      -8.018585     -6.240263     12.441481
  H      -5.250630     -4.724394      9.950397
  N      -4.774034     -2.939419      5.335445
  H      -4.993340     -3.400407      6.234349
  H      -5.586688     -2.358499      5.109240
  H      -3.996815     -2.290543      5.512501
  N      -1.881841     -1.990901      4.719267
  N      -0.996618     -1.628028      4.154128
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5658515-4aaE/orca E -7240.570374549862
  N      -3.367106     -3.872764      2.393768
  C      -2.869561     -4.789767      1.372343
  C      -2.446822     -6.088401      2.044237
  N      -3.479558     -6.513516      3.022043
  C      -4.683685     -7.092471      2.375067
  C      -5.882389     -6.978435      3.305893
  N      -5.922062     -5.630837      3.896180
  Mo     -4.134626     -4.710709      4.037787
  N      -2.853918     -5.384304      5.422936
  C      -2.148916     -6.630149      5.116891
  C      -2.927788     -7.415903      4.066073
  H      -2.052179     -7.286504      6.001583
  H      -1.114652     -6.435198      4.766550
  H      -3.786923     -7.901940      4.549581
  H      -2.306082     -8.207047      3.607178
  H      -6.780229     -7.203866      2.704146
  H      -5.834385     -7.778844      4.076814
  H      -4.875731     -6.499817      1.469503
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  H      -1.989886     -4.383524      0.838695
  H      -3.631933     -4.993553      0.589107
  H      -1.523482     -5.915634      2.614560
  H      -2.252139     -6.884032      1.300199
  C      -3.177812     -0.371650      0.777792
  C      -2.815412     -1.828577      1.059442
  C      -3.863384     -2.590093      1.891346
  C      -5.228706     -2.737770      1.151374
  N      -6.175953     -1.686840      1.494449
  C      -6.634539     -0.716378      0.624251
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  C      -7.294414      0.064965     -1.577269
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  S      -7.973012      3.072532      1.077393
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  H      -2.355634      0.139716      0.256520
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  H      -4.074347     -0.281679      0.148517
  H      -1.858169     -1.874644      1.602436
  H      -2.658861     -2.356441      0.103925
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  H      -5.081728     -2.727214      0.062507
  H      -5.637457     -3.725688      1.429924
  H      -6.103753     -1.368932      2.458528
  H      -6.526865     -1.910055     -1.191516
  H      -7.407129     -0.126194     -2.646510
  H      -8.081927      2.077807     -1.720819
  H      -8.440435      3.670928     -0.041727
  H      -6.873237      0.734227      2.207618
  H     -10.316341     -6.701031      5.291208
  H      -9.943760     -4.968583      5.152799
  H      -9.218416     -5.927962      6.457150
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  H      -6.920214     -5.266910      5.715937
  H      -8.495891     -3.910718      3.584580
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  H      -7.584432     -3.510349      6.323782
  H      -8.553510     -1.546557      3.350163
  H      -8.912927      0.900138      3.470497
  H      -8.674079      2.128458      5.609382
  H      -8.188084      2.392338      7.871078
  H      -7.698205     -1.595041      7.589175
  H      -0.371708     -6.758173      7.174173
  H      -0.865011     -6.088017      8.740398
  H       0.672620     -5.601281      8.012900
  H      -0.940295     -3.779614      7.742423
  H      -0.496475     -4.409487      6.164195
  H      -2.859754     -3.710595      6.607155
  H      -3.049461     -6.353065      8.136233
  H      -3.300405     -4.695537      8.740133
  H      -4.800485     -5.823445      6.489159
  H      -6.543016     -7.301785      6.749551
  H      -8.302825     -8.250631      8.222791
  H      -8.489279     -7.537798     10.594632
  H      -7.955336     -6.310487     12.500538
  H      -5.163988     -4.840909     10.011311
  N      -4.782358     -2.951077      5.366616
  H      -4.995351     -3.418704      6.262253
  H      -5.601555     -2.378128      5.144298
  H      -4.011079     -2.296723      5.548022
  N      -1.923508     -2.008405      4.787414
  N      -1.028708     -1.650512      4.233308
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5658515-4aaE/orca E -7240.571039002120
  N      -3.375386     -3.871837      2.395670
  C      -2.882665     -4.787573      1.367776
  C      -2.456200     -6.089403      2.033783
  N      -3.485406     -6.514577      3.016779
  C      -4.695473     -7.089572      2.373485
  C      -5.891510     -6.974050      3.309959
  N      -5.925539     -5.626182      3.902595
  Mo     -4.134875     -4.715018      4.042182
  N      -2.853298     -5.401829      5.425468
  C      -2.150392     -6.647566      5.110297
  C      -2.932295     -7.425050      4.055284
  H      -2.054100     -7.309114      5.991060
  H      -1.116311     -6.451937      4.760051
  H      -3.791408     -7.912672      4.537138
  H      -2.313065     -8.213831      3.589340
  H      -6.792134     -7.197030      2.710882
  H      -5.841701     -7.774905      4.079929
  H      -4.889326     -6.495830      1.469063
  H      -4.527032     -8.140484      2.068601
  H      -2.006112     -4.379075      0.831134
  H      -3.648840     -4.989269      0.587805
  H      -1.530088     -5.918260      2.600127
  H      -2.266493     -6.884218      1.287919
  C      -3.148099     -0.359480      0.804245
  C      -2.797034     -1.820058      1.081760
  C      -3.858801     -2.581091      1.896619
  C      -5.218638     -2.713354      1.140402
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  C      -7.540842      1.546734      0.265647
  S      -8.002711      3.084976      1.021173
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  C      -7.635262     -3.861474      4.267523
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  N      -4.781262     -5.433478      7.454970
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  S      -6.833041     -5.636687     12.174183
  C      -5.802681     -5.650514      9.663706
  H      -2.317774      0.149786      0.293891
  H      -3.348982      0.186932      1.739119
  H      -4.037852     -0.260754      0.166746
  H      -1.846625     -1.874683      1.635825
  H      -2.631784     -2.342599      0.124754
  H      -4.064803     -1.975252      2.799312
  H      -5.062817     -2.709587      0.052666
  H      -5.642632     -3.698133      1.416036
  H      -6.081165     -1.322677      2.435159
  H      -6.493584     -1.895096     -1.212794
  H      -7.389495     -0.130235     -2.681352
  H      -8.091996      2.071608     -1.771431
  H      -8.476616      3.669719     -0.102444
  H      -6.879564      0.766864      2.169237
  H     -10.309689     -6.690646      5.319541
  H      -9.939607     -4.958159      5.172025
  H      -9.204059     -5.911398      6.475010
  H      -8.663409     -6.328337      3.464009
  H      -7.971338     -7.297103      4.770510
  H      -6.921500     -5.249943      5.722499
  H      -8.499899     -3.907463      3.581762
  H      -6.812283     -3.377517      3.712435
  H      -7.623223     -3.495546      6.326611
  H      -8.567040     -1.541287      3.334911
  H      -8.944165      0.902240      3.447285
  H      -8.728210      2.137178      5.585216
  H      -8.242571      2.411855      7.844549
  H      -7.736930     -1.574330      7.579447
  H      -0.348729     -6.771749      7.144763
  H      -0.826123     -6.111682      8.720160
  H       0.699922     -5.613559      7.976346
  H      -0.927104     -3.799499      7.735714
  H      -0.497332     -4.417295      6.149001
  H      -2.861105     -3.736613      6.621102
  H      -3.011738     -6.383285      8.147073
  H      -3.269534     -4.727358      8.752090
  H      -4.798028     -5.860390      6.523514
  H      -6.554017     -7.300386      6.776397
  H      -8.326716     -8.228235      8.243519
  H      -8.492466     -7.537182     10.624154
  H      -7.922681     -6.348442     12.542538
  H      -5.107050     -4.911311     10.063893
  N      -4.780101     -2.949781      5.376768
  H      -4.989596     -3.414976      6.272719
  H      -5.603182     -2.384010      5.152357
  H      -4.012822     -2.290954      5.559014
  N      -1.928093     -2.013011      4.828407
  N      -1.020855     -1.660004      4.290380
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5658515-4aaE/orca E -7240.571549550542
  N      -3.395882     -3.863529      2.409718
  C      -2.904691     -4.771987      1.373686
  C      -2.469538     -6.076358      2.030155
  N      -3.491993     -6.509608      3.016771
  C      -4.704867     -7.084471      2.376279
  C      -5.897808     -6.975459      3.318105
  N      -5.931803     -5.629434      3.915014
  Mo     -4.143072     -4.719770      4.055889
  N      -2.859051     -5.417577      5.435387
  C      -2.151594     -6.657061      5.106964
  C      -2.932675     -7.427484      4.046249
  H      -2.051026     -7.325765      5.981890
  H      -1.119301     -6.453435      4.756304
  H      -3.788969     -7.922576      4.525184
  H      -2.311763     -8.208925      3.570690
  H      -6.799911     -7.198598      2.721329
  H      -5.842315     -7.778033      4.085442
  H      -4.903566     -6.488207      1.474756
  H      -4.535255     -8.133848      2.067270
  H      -2.032800     -4.356146      0.835701
  H      -3.673899     -4.972293      0.596700
  H      -1.541369     -5.904648      2.593058
  H      -2.281651     -6.867094      1.279881
  C      -3.142784     -0.332987      0.863255
  C      -2.796113     -1.796915      1.128761
  C      -3.868980     -2.565582      1.920890
  C      -5.219909     -2.683101      1.147500
  N      -6.142123     -1.607369      1.473364
  C      -6.620414     -0.664126      0.586922
  C      -6.764031     -0.914885     -0.794600
  C      -7.296283      0.069432     -1.626039
  C      -7.708177      1.308408     -1.133275
  C      -7.566467      1.560725      0.240326
  S      -8.042596      3.100615      0.983658
  C      -7.019240      0.594256      1.084494
  C      -9.510791     -5.931878      5.447913
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  N      -7.986792     -3.084472      5.436064
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  C      -8.536544      1.083887      5.446241
  C      -8.203401      0.398640      6.627086
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  C      -8.008572     -0.982869      6.609571
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  C      -1.033818     -4.686657      7.074637
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  C      -3.357210     -5.416375      7.884208
  N      -4.766519     -5.487470      7.484302
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  C      -6.643231     -6.991130      7.836994
  C      -7.634322     -7.511015      8.665562
  C      -7.708328     -7.156993     10.012828
  C      -6.759143     -6.262548     10.529490
  S      -6.764379     -5.750164     12.226325
  C      -5.762551     -5.727758      9.704712
  H      -2.306341      0.181011      0.367832
  H      -3.353453      0.203327      1.801835
  H      -4.025418     -0.226492      0.217112
  H      -1.853224     -1.859001      1.694877
  H      -2.618656     -2.308172      0.167894
  H      -4.084755     -1.970995      2.828594
  H      -5.051894     -2.681808      0.061613
  H      -5.656596     -3.663804      1.415273
  H      -6.071764     -1.274911      2.432312
  H      -6.486292     -1.882558     -1.211241
  H      -7.404584     -0.140129     -2.692300
  H      -8.129011      2.061528     -1.799827
  H      -8.525360      3.670436     -0.143855
  H      -6.891005      0.806092      2.148380
  H     -10.307605     -6.684956      5.364043
  H      -9.941416     -4.953818      5.192226
  H      -9.196078     -5.888881      6.502487
  H      -8.672218     -6.339535      3.493212
  H      -7.971668     -7.294193      4.804793
  H      -6.922965     -5.231912      5.733013
  H      -8.505790     -3.921382      3.574531
  H      -6.817636     -3.389336      3.690767
  H      -7.637481     -3.463700      6.312523
  H      -8.548971     -1.560806      3.278276
  H      -8.909370      0.886270      3.339738
  H      -8.697431      2.162166      5.454566
  H      -8.208969      2.480120      7.706840
  H      -7.735700     -1.514305      7.526230
  H      -0.329480     -6.775635      7.119838
  H      -0.794660     -6.131621      8.705575
  H       0.718207     -5.614139      7.948280
  H      -0.930121     -3.813839      7.740999
  H      -0.509684     -4.413714      6.144935
  H      -2.878622     -3.764023      6.643900
  H      -2.980527     -6.420822      8.154809
  H      -3.252467     -4.770698      8.769078
  H      -4.801113     -5.905383      6.549118
  H      -6.583668     -7.296087      6.790901
  H      -8.359948     -8.216468      8.255793
  H      -8.485092     -7.574855     10.653849
  H      -7.860224     -6.452934     12.593444
  H      -5.043781     -5.017549     10.116532
  N      -4.794784     -2.956731      5.399933
  H      -5.001146     -3.422723      6.294958
  H      -5.624083     -2.401393      5.172946
  H      -4.034720     -2.290513      5.585316
  N      -1.952979     -2.014338      4.882340
  N      -1.033616     -1.663837      4.363291
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5658515-4aaE/orca E -7240.572035682702
  N      -3.405667     -3.862165      2.411372
  C      -2.918040     -4.767957      1.372200
  C      -2.481519     -6.073936      2.024043
  N      -3.499883     -6.508566      3.013190
  C      -4.716938     -7.077748      2.375083
  C      -5.906084     -6.967680      3.320198
  N      -5.934045     -5.623659      3.920031
  Mo     -4.143661     -4.722424      4.059417
  N      -2.863007     -5.433730      5.437944
  C      -2.157023     -6.670228      5.100078
  C      -2.940123     -7.432939      4.036006
  H      -2.055092     -7.344016      5.971159
  H      -1.125558     -6.464348      4.748322
  H      -3.796390     -7.929921      4.512720
  H      -2.320704     -8.211244      3.553701
  H      -6.810504     -7.187287      2.725971
  H      -5.849143     -7.771440      4.085956
  H      -4.916524     -6.479164      1.475504
  H      -4.551264     -8.127052      2.063669
  H      -2.047760     -4.350564      0.833268
  H      -3.689716     -4.966166      0.597447
  H      -1.551510     -5.904147      2.584654
  H      -2.297553     -6.863267      1.271453
  C      -3.112233     -0.319298      0.904921
  C      -2.774937     -1.787284      1.160579
  C      -3.861814     -2.557709      1.930476
  C      -5.202346     -2.657503      1.140787
  N      -6.108917     -1.567655      1.455437
  C      -6.598143     -0.642084      0.558783
  C      -6.743108     -0.910069     -0.819435
  C      -7.284979      0.060804     -1.660650
  C      -7.703456      1.302847     -1.181735
  C      -7.558694      1.572767      0.188303
  S      -8.042003      3.118776      0.914210
  C      -7.003487      0.619978      1.042343
  C      -9.499624     -5.923978      5.484194
  C      -8.328724     -6.280260      4.567366
  C      -7.168888     -5.272190      4.661366
  C      -7.639947     -3.857478      4.256648
  N      -7.986591     -3.070157      5.431286
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  C      -8.605959      1.088466      5.428014
  C      -8.253263      0.414044      6.609126
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  C      -1.030218     -4.701139      7.064570
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  C      -3.342732     -5.448862      7.887859
  N      -4.752289     -5.524287      7.499017
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  C      -6.666841     -6.974138      7.850647
  C      -7.659630     -7.483508      8.683079
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  C      -6.716070     -6.306863     10.560306
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  C      -5.717600     -5.781149      9.731541
  H      -2.267928      0.195945      0.424385
  H      -3.331923      0.208503      1.846249
  H      -3.986972     -0.203193      0.249756
  H      -1.840525     -1.859413      1.739572
  H      -2.586204     -2.289463      0.197163
  H      -4.085878     -1.972151      2.842023
  H      -5.020539     -2.662377      0.057051
  H      -5.656329     -3.630069      1.402686
  H      -6.039476     -1.226407      2.411086
  H      -6.460045     -1.880464     -1.225904
  H      -7.394655     -0.161990     -2.724105
  H      -8.131223      2.045097     -1.856040
  H      -8.535440      3.670124     -0.217854
  H      -6.873934      0.844765      2.103093
  H     -10.295003     -6.679861      5.412830
  H      -9.935911     -4.948705      5.227637
  H      -9.174517     -5.874536      6.535046
  H      -8.679658     -6.337134      3.523393
  H      -7.963435     -7.284767      4.830689
  H      -6.912074     -5.212029      5.741077
  H      -8.509731     -3.924583      3.578466
  H      -6.823671     -3.382056      3.683750
  H      -7.642488     -3.443365      6.312042
  H      -8.578498     -1.563223      3.268662
  H      -8.989779      0.875125      3.325198
  H      -8.791259      2.162868      5.434142
  H      -8.290396      2.499110      7.680957
  H      -7.749484     -1.486384      7.513600
  H      -0.320118     -6.788293      7.094213
  H      -0.769880     -6.151429      8.687422
  H       0.733535     -5.627247      7.916032
  H      -0.924762     -3.831205      7.734536
  H      -0.515033     -4.421433      6.131973
  H      -2.887052     -3.787902      6.652975
  H      -2.957104     -6.452022      8.151254
  H      -3.233010     -4.806375      8.774723
  H      -4.803845     -5.933216      6.557924
  H      -6.632948     -7.256708      6.796946
  H      -8.412208     -8.157715      8.269201
  H      -8.478774     -7.569520     10.684501
  H      -7.779178     -6.525302     12.641482
  H      -4.968822     -5.106616     10.149931
  N      -4.793504     -2.956500      5.406036
  H      -5.001715     -3.418543      6.302363
  H      -5.625652     -2.407773      5.172866
  H      -4.037195     -2.286328      5.591994
  N      -1.959804     -2.028666      4.905466
  N      -1.026302     -1.687942      4.406147
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5658515-4aaE/orca E -7240.572534952319
  N      -3.413742     -3.862910      2.415625
  C      -2.928371     -4.766911      1.375402
  C      -2.491344     -6.073713      2.024238
  N      -3.505907     -6.510062      3.015469
  C      -4.726480     -7.074081      2.380000
  C      -5.912390     -6.961057      3.327197
  N      -5.933108     -5.618825      3.928694
  Mo     -4.140529     -4.724822      4.066537
  N      -2.865526     -5.449553      5.444554
  C      -2.160339     -6.682668      5.097954
  C      -2.945377     -7.439221      4.032219
  H      -2.055543     -7.361105      5.965326
  H      -1.129887     -6.474617      4.743999
  H      -3.801261     -7.937878      4.507900
  H      -2.327086     -8.215165      3.544590
  H      -6.819224     -7.175737      2.734773
  H      -5.856999     -7.766130      4.091974
  H      -4.926257     -6.473803      1.481613
  H      -4.565103     -8.123634      2.066719
  H      -2.058629     -4.349360      0.835548
  H      -3.701636     -4.963984      0.601762
  H      -1.559662     -5.905317      2.582633
  H      -2.310087     -6.861709      1.269190
  C      -3.083604     -0.308339      0.947512
  C      -2.757408     -1.781173      1.190715
  C      -3.855252     -2.552147      1.944164
  C      -5.189929     -2.634616      1.145592
  N      -6.083007     -1.533367      1.455419
  C      -6.590356     -0.625618      0.552682
  C      -6.746460     -0.912259     -0.820615
  C      -7.305819      0.043205     -1.668203
  C      -7.731225      1.287148     -1.200984
  C      -7.575394      1.575664      0.164187
  S      -8.066853      3.126146      0.874976
  C      -7.003211      0.639000      1.024390
  C      -9.503960     -5.897604      5.484895
  C      -8.331833     -6.262055      4.572872
  C      -7.169541     -5.255528      4.661721
  C      -7.639964     -3.844498      4.241803
  N      -8.000868     -3.049950      5.407407
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  C      -8.482706     -1.002167      4.171788
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  C      -8.631263      1.107037      5.385827
  C      -8.295540      0.435902      6.573679
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  N      -4.738497     -5.558322      7.513770
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  C      -7.681007     -7.180273     10.068651
  C      -6.674346     -6.353985     10.588419
  S      -6.601176     -5.914520     12.303921
  C      -5.677824     -5.831673      9.754770
  H      -2.232878      0.206790      0.478407
  H      -3.307287      0.210268      1.892925
  H      -3.953134     -0.180458      0.287816
  H      -1.828829     -1.865143      1.777354
  H      -2.563125     -2.274578      0.223946
  H      -4.082655     -1.974644      2.860461
  H      -4.999902     -2.642731      0.062872
  H      -5.660032     -3.601244      1.402430
  H      -6.011939     -1.185677      2.408254
  H      -6.458676     -1.884947     -1.218262
  H      -7.423992     -0.194020     -2.727639
  H      -8.173033      2.016588     -1.880164
  H      -8.576047      3.658177     -0.259350
  H      -6.866448      0.877358      2.081268
  H     -10.300812     -6.652208      5.416943
  H      -9.937910     -4.923238      5.220688
  H      -9.181433     -5.842602      6.536511
  H      -8.681302     -6.324560      3.528770
  H      -7.969437     -7.265970      4.842407
  H      -6.917028     -5.186301      5.741768
  H      -8.502273     -3.921425      3.554878
  H      -6.820272     -3.368779      3.674780
  H      -7.678856     -3.422628      6.296474
  H      -8.562195     -1.548806      3.232567
  H      -8.982499      0.887735      3.278150
  H      -8.820972      2.180688      5.386978
  H      -8.350537      2.523504      7.640049
  H      -7.803544     -1.460929      7.490752
  H      -0.312229     -6.799636      7.082481
  H      -0.747995     -6.164286      8.680272
  H       0.747476     -5.637631      7.895175
  H      -0.918928     -3.844907      7.731723
  H      -0.517047     -4.430579      6.125385
  H      -2.892360     -3.809206      6.665196
  H      -2.935801     -6.480943      8.150783
  H      -3.216270     -4.840495      8.784566
  H      -4.798678     -5.954583      6.567547
  H      -6.659230     -7.242890      6.810253
  H      -8.433438     -8.138057      8.292195
  H      -8.457182     -7.586941     10.717506
  H      -7.707211     -6.595002     12.681876
  H      -4.910247     -5.179775     10.174541
  N      -4.786601     -2.959469      5.413582
  H      -4.999114     -3.416019      6.312119
  H      -5.619688     -2.414805      5.174051
  H      -4.032151     -2.286615      5.597646
  N      -1.947345     -2.036755      4.908529
  N      -1.002322     -1.703987      4.426072
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5658515-4aaE/orca E -7240.573044538279
  N      -3.426808     -3.856969      2.425730
  C      -2.939261     -4.755886      1.383113
  C      -2.499391     -6.064057      2.026650
  N      -3.510451     -6.506609      3.018448
  C      -4.733378     -7.066976      2.383501
  C      -5.917608     -6.954882      3.332861
  N      -5.932908     -5.615504      3.939531
  Mo     -4.140608     -4.724974      4.077401
  N      -2.870121     -5.461288      5.452816
  C      -2.161712     -6.688918      5.096285
  C      -2.946857     -7.440914      4.027895
  H      -2.051788     -7.372743      5.958940
  H      -1.132747     -6.475722      4.740514
  H      -3.800929     -7.944439      4.501925
  H      -2.327443     -8.212494      3.534632
  H      -6.826448     -7.164954      2.741579
  H      -5.863118     -7.763040      4.094748
  H      -4.934031     -6.463752      1.487157
  H      -4.573971     -8.115640      2.066209
  H      -2.069927     -4.335421      0.844437
  H      -3.711990     -4.952032      0.608243
  H      -1.566609     -5.896267      2.583459
  H      -2.318119     -6.848312      1.267233
  C      -3.064331     -0.286862      1.002587
  C      -2.747277     -1.764200      1.231845
  C      -3.856000     -2.539032      1.965669
  C      -5.181522     -2.604291      1.153356
  N      -6.061021     -1.489606      1.452894
  C      -6.591240     -0.608785      0.538498
  C      -6.764821     -0.929478     -0.825267
  C      -7.345850      0.000444     -1.686716
  C      -7.776633      1.250955     -1.243112
  C      -7.603269      1.573617      0.112481
  S      -8.100585      3.135872      0.792736
  C      -7.009386      0.663572      0.985974
  C      -9.506339     -5.872261      5.493954
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  C      -7.635937     -3.832423      4.232952
  N      -7.999015     -3.028415      5.390793
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  C      -8.298701      0.462533      6.539365
  S      -8.160233      1.311865      8.090749
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  N      -4.731880     -5.599546      7.525765
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  C      -6.695834     -6.978530      7.876511
  C      -7.682021     -7.483775      8.718013
  C      -7.670578     -7.214381     10.088085
  C      -6.636918     -6.424968     10.610693
  S      -6.526569     -6.027970     12.334457
  C      -5.640454     -5.906570      9.774285
  H      -2.207072      0.229969      0.547612
  H      -3.294870      0.220677      1.952294
  H      -3.927443     -0.147526      0.336832
  H      -1.825416     -1.859542      1.826822
  H      -2.545511     -2.247405      0.261487
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  H      -5.669013     -3.565199      1.402850
  H      -5.987700     -1.128896      2.400318
  H      -6.474378     -1.908863     -1.204218
  H      -7.477706     -0.263461     -2.738219
  H      -8.236091      1.959461     -1.932603
  H      -8.631954      3.634560     -0.346551
  H      -6.859719      0.928220      2.034967
  H     -10.305419     -6.624763      5.429117
  H      -9.937627     -4.897886      5.225273
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  H      -7.976602     -7.248731      4.856529
  H      -6.918478     -5.164131      5.745253
  H      -8.494144     -3.914666      3.541476
  H      -6.813133     -3.360510      3.667509
  H      -7.693900     -3.401534      6.285378
  H      -8.529897     -1.535546      3.203937
  H      -8.937971      0.902905      3.232632
  H      -8.798718      2.204843      5.337795
  H      -8.352376      2.555622      7.595497
  H      -7.827723     -1.431965      7.471697
  H      -0.306800     -6.803590      7.077180
  H      -0.733568     -6.173691      8.679596
  H       0.754333     -5.639561      7.885127
  H      -0.924469     -3.854015      7.739218
  H      -0.524445     -4.431261      6.129252
  H      -2.905648     -3.828783      6.684294
  H      -2.920063     -6.513678      8.146647
  H      -3.210517     -4.882488      8.797582
  H      -4.796870     -5.977073      6.573702
  H      -6.703194     -7.218459      6.812505
  H      -8.473203     -8.110498      8.301575
  H      -8.445929     -7.618401     10.739554
  H      -7.636261     -6.700560     12.715722
  H      -4.850586     -5.284924     10.197827
  N      -4.788651     -2.965779      5.425756
  H      -5.007455     -3.416534      6.325349
  H      -5.623038     -2.426897      5.177757
  H      -4.037668     -2.288390      5.608949
  N      -1.951391     -2.040715      4.917187
  N      -0.992009     -1.716787      4.456698
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5658515-4aaE/orca E -7240.573525768062
  N      -3.436412     -3.848656      2.439494
  C      -2.947977     -4.742212      1.392786
  C      -2.506975     -6.053548      2.029573
  N      -3.515521     -6.501543      3.021987
  C      -4.741276     -7.056890      2.387278
  C      -5.923696     -6.945468      3.339854
  N      -5.932499     -5.608753      3.952215
  Mo     -4.139375     -4.722514      4.090919
  N      -2.872667     -5.471091      5.461386
  C      -2.162408     -6.694776      5.095245
  C      -2.949488     -7.441801      4.024314
  H      -2.047907     -7.383887      5.953116
  H      -1.134806     -6.477948      4.737650
  H      -3.802132     -7.948988      4.497185
  H      -2.330300     -8.210224      3.525878
  H      -6.834736     -7.150175      2.749950
  H      -5.870549     -7.757018      4.098312
  H      -4.942623     -6.449905      1.493549
  H      -4.584598     -8.104363      2.065202
  H      -2.078503     -4.319849      0.855558
  H      -3.720129     -4.935122      0.616273
  H      -1.572619     -5.888556      2.584532
  H      -2.326890     -6.833327      1.265052
  C      -3.042382     -0.265450      1.054515
  C      -2.736571     -1.747174      1.271538
  C      -3.854926     -2.523133      1.990368
  C      -5.172345     -2.571820      1.166055
  N      -6.036529     -1.442787      1.455161
  C      -6.593218     -0.591872      0.529829
  C      -6.793168     -0.952441     -0.820505
  C      -7.398754     -0.051128     -1.695381
  C      -7.829211      1.208517     -1.278281
  C      -7.629970      1.570668      0.063890
  S      -8.125582      3.148087      0.709466
  C      -7.011351      0.690046      0.949989
  C      -9.507375     -5.848289      5.503645
  C      -8.337308     -6.226152      4.594945
  C      -7.170040     -5.224322      4.670516
  C      -7.632599     -3.818642      4.222948
  N      -7.994500     -3.002345      5.371746
  C      -8.170572     -1.637623      5.317245
  C      -8.443482     -0.967538      4.105216
  C      -8.667853      0.410016      4.116225
  C      -8.604861      1.156264      5.291953
  C      -8.302126      0.495511      6.494719
  S      -8.178184      1.354032      8.042187
  C      -8.086346     -0.882770      6.507593
  C      -0.292295     -5.918093      7.704845
  C      -1.027906     -4.733095      7.071866
  C      -2.536917     -4.878664      6.756734
  C      -3.315994     -5.543606      7.910831
  N      -4.725005     -5.635640      7.539102
  C      -5.658229     -6.202057      8.404322
  C      -6.715319     -6.976531      7.882567
  C      -7.698569     -7.483344      8.726007
  C      -7.659747     -7.253715     10.102972
  C      -6.599915     -6.503648     10.630206
  S      -6.452800     -6.156949     12.362217
  C      -5.604105     -5.985748      9.792625
  H      -2.178527      0.250266      0.611004
  H      -3.276479      0.233298      2.008015
  H      -3.900047     -0.113824      0.384445
  H      -1.819447     -1.854380      1.871372
  H      -2.531780     -2.222608      0.297998
  H      -4.092960     -1.963816      2.915860
  H      -4.955081     -2.582867      0.087632
  H      -5.676978     -3.526392      1.408759
  H      -5.955433     -1.065111      2.395035
  H      -6.504682     -1.940664     -1.177472
  H      -7.551094     -0.346019     -2.735842
  H      -8.308406      1.894065     -1.977421
  H      -8.683877      3.609698     -0.432570
  H      -6.842395      0.985016      1.988104
  H     -10.307063     -6.600426      5.441535
  H      -9.937881     -4.874812      5.230564
  H      -9.186057     -5.787290      6.555576
  H      -8.688259     -6.297130      3.551822
  H      -7.979350     -7.229743      4.872730
  H      -6.919855     -5.137497      5.749542
  H      -8.488312     -3.906068      3.529078
  H      -6.807108     -3.353713      3.655451
  H      -7.702582     -3.373569      6.271425
  H      -8.503916     -1.523589      3.170256
  H      -8.906983      0.915645      3.178714
  H      -8.786138      2.231206      5.276928
  H      -8.363986      2.595144      7.538010
  H      -7.844842     -1.393758      7.444396
  H      -0.304247     -6.815130      7.072333
  H      -0.720836     -6.191263      8.679860
  H       0.761261     -5.652906      7.877245
  H      -0.924382     -3.869470      7.749889
  H      -0.527627     -4.438358      6.136012
  H      -2.911323     -3.846967      6.705800
  H      -2.906132     -6.545164      8.143599
  H      -3.202753     -4.922881      8.812429
  H      -4.793032     -5.992834      6.580264
  H      -6.745897     -7.184337      6.812397
  H      -8.510824     -8.079854      8.305682
  H      -8.434154     -7.658056     10.755345
  H      -7.566974     -6.821625     12.744346
  H      -4.792654     -5.396425     10.221001
  N      -4.786161     -2.971315      5.442499
  H      -5.011493     -3.415411      6.343148
  H      -5.619921     -2.434878      5.186943
  H      -4.036597     -2.291618      5.624528
  N      -1.960181     -2.049910      4.927141
  N      -0.985804     -1.736659      4.490411
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5658515-4aaE/orca E -7240.573975836787
  N      -3.442200     -3.841132      2.453359
  C      -2.953664     -4.729826      1.402038
  C      -2.513102     -6.045044      2.032278
  N      -3.520439     -6.496424      3.025024
  C      -4.749100     -7.045530      2.389797
  C      -5.930487     -6.933978      3.344915
  N      -5.932869     -5.599721      3.963522
  Mo     -4.137863     -4.719322      4.104104
  N      -2.874431     -5.479376      5.469495
  C      -2.164133     -6.700972      5.095179
  C      -2.953854     -7.442653      4.021606
  H      -2.047029     -7.394708      5.948844
  H      -1.137461     -6.482164      4.736465
  H      -3.806130     -7.951676      4.493190
  H      -2.335917     -8.209262      3.518996
  H      -6.842907     -7.132812      2.755334
  H      -5.879391     -7.748924      4.099652
  H      -4.949986     -6.434533      1.498697
  H      -4.595683     -8.091907      2.063231
  H      -2.083587     -4.306227      0.866822
  H      -3.725105     -4.918315      0.623753
  H      -1.577233     -5.884045      2.585782
  H      -2.335185     -6.820906      1.263303
  C      -3.013957     -0.248256      1.099833
  C      -2.721776     -1.734122      1.307550
  C      -3.850385     -2.508602      2.012899
  C      -5.159075     -2.542266      1.175936
  N      -6.006491     -1.398621      1.453604
  C      -6.592930     -0.579681      0.519225
  C      -6.822261     -0.981513     -0.814937
  C      -7.455708     -0.110700     -1.700914
  C      -7.886237      1.157433     -1.310237
  C      -7.658072      1.560256      0.015730
  S      -8.153008      3.151517      0.627006
  C      -7.011191      0.710857      0.911953
  C      -9.510085     -5.816413      5.510655
  C      -8.341990     -6.202000      4.602831
  C      -7.171255     -5.204412      4.673801
  C      -7.626599     -3.799562      4.214667
  N      -7.987182     -2.973214      5.356077
  C      -8.165566     -1.609427      5.292664
  C      -8.429430     -0.945929      4.074786
  C      -8.656304      0.431200      4.076830
  C      -8.604353      1.183625      5.249300
  C      -8.311287      0.529392      6.457992
  S      -8.202424      1.395487      8.002344
  C      -8.093533     -0.848481      6.479921
  C      -0.284598     -5.932183      7.703366
  C      -1.025536     -4.746387      7.077962
  C      -2.535293     -4.894382      6.768083
  C      -3.307207     -5.570958      7.920401
  N      -4.716725     -5.666908      7.554044
  C      -5.648646     -6.236755      8.415523
  C      -6.732543     -6.968544      7.886779
  C      -7.714385     -7.478680      8.729325
  C      -7.650634     -7.293892     10.112174
  C      -6.565206     -6.586377     10.645845
  S      -6.383652     -6.297441     12.385408
  C      -5.568999     -6.066882      9.809746
  H      -2.142376      0.263518      0.667012
  H      -3.250589      0.244565      2.055841
  H      -3.865413     -0.083963      0.424921
  H      -1.809155     -1.853141      1.911778
  H      -2.515152     -2.204055      0.331783
  H      -4.092395     -1.955712      2.941134
  H      -4.928334     -2.556304      0.099907
  H      -5.680545     -3.489534      1.412677
  H      -5.914020     -1.001574      2.384135
  H      -6.535135     -1.978060     -1.149245
  H      -7.630798     -0.437365     -2.728226
  H      -8.387649      1.818777     -2.017044
  H      -8.743275      3.574120     -0.514058
  H      -6.821301      1.036735      1.937194
  H     -10.312813     -6.565501      5.450366
  H      -9.936696     -4.841898      5.235152
  H      -9.188444     -5.754449      6.562384
  H      -8.693630     -6.275701      3.560176
  H      -7.987611     -7.206021      4.883852
  H      -6.922550     -5.109951      5.752617
  H      -8.480451     -3.887739      3.518511
  H      -6.797168     -3.342846      3.645777
  H      -7.707790     -3.343205      6.260160
  H      -8.480930     -1.506796      3.142261
  H      -8.888343      0.931388      3.134691
  H      -8.787154      2.258186      5.227375
  H      -8.387972      2.633821      7.491316
  H      -7.859835     -1.354383      7.421400
  H      -0.300272     -6.827631      7.068692
  H      -0.706225     -6.208083      8.680598
  H       0.769911     -5.666550      7.869031
  H      -0.921263     -3.885004      7.758670
  H      -0.529202     -4.447424      6.141392
  H      -2.913341     -3.863568      6.725919
  H      -2.891635     -6.572422      8.143410
  H      -3.192249     -4.957132      8.826499
  H      -4.788594     -6.004576      6.588677
  H      -6.785064     -7.139929      6.811065
  H      -8.546923     -8.042487      8.303398
  H      -8.425217     -7.699999     10.763205
  H      -7.502949     -6.954793     12.765297
  H      -4.736432     -5.513056     10.244647
  N      -4.783617     -2.975032      5.458710
  H      -5.014654     -3.411513      6.361042
  H      -5.616203     -2.440137      5.195448
  H      -4.035008     -2.293536      5.639554
  N      -1.965562     -2.054699      4.943346
  N      -0.975085     -1.755113      4.532992
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5658515-4aaE/orca E -7240.574399798547
  N      -3.442023     -3.836063      2.465861
  C      -2.955669     -4.721531      1.410210
  C      -2.519027     -6.041213      2.034845
  N      -3.526598     -6.492005      3.027939
  C      -4.758796     -7.032682      2.392223
  C      -5.939041     -6.918706      3.349142
  N      -5.933829     -5.586639      3.972924
  Mo     -4.134948     -4.715085      4.116285
  N      -2.874988     -5.486660      5.477081
  C      -2.168237     -6.708741      5.096022
  C      -2.962371     -7.444049      4.020533
  H      -2.050944     -7.406277      5.946456
  H      -1.141969     -6.490734      4.736177
  H      -3.815898     -7.951663      4.491304
  H      -2.347747     -8.211192      3.514824
  H      -6.852681     -7.110728      2.759377
  H      -5.891107     -7.736400      4.100767
  H      -4.957773     -6.417563      1.503598
  H      -4.610451     -8.078506      2.061972
  H      -2.084036     -4.298667      0.877229
  H      -3.726926     -4.903937      0.630505
  H      -1.581482     -5.886183      2.587142
  H      -2.345473     -6.814632      1.262558
  C      -2.974677     -0.237074      1.138038
  C      -2.699370     -1.727166      1.338403
  C      -3.839045     -2.497151      2.031814
  C      -5.139714     -2.516273      1.183300
  N      -5.968901     -1.358388      1.451922
  C      -6.588142     -0.569730      0.513838
  C      -6.848026     -1.008042     -0.803278
  C      -7.512192     -0.165658     -1.694264
  C      -7.944287      1.108345     -1.324387
  C      -7.685984      1.546938     -0.015404
  S      -8.181874      3.148048      0.569038
  C      -7.007812      0.726638      0.884806
  C      -9.512606     -5.786145      5.514422
  C      -8.346096     -6.176363      4.606549
  C      -7.173283     -5.181458      4.674625
  C      -7.621831     -3.777559      4.204288
  N      -7.983731     -2.942526      5.338452
  C      -8.169100     -1.580229      5.265248
  C      -8.427441     -0.925222      4.041507
  C      -8.662096      0.450493      4.033956
  C      -8.623461      1.209850      5.202598
  C      -8.336511      0.564189      6.417218
  S      -8.245173      1.439232      7.957697
  C      -8.111283     -0.812344      6.448835
  C      -0.275647     -5.951547      7.699203
  C      -1.019099     -4.763417      7.081331
  C      -2.530569     -4.909409      6.778187
  C      -3.295675     -5.592814      7.930391
  N      -4.705880     -5.689693      7.570144
  C      -5.636653     -6.263540      8.427608
  C      -6.745523     -6.952722      7.892844
  C      -7.726098     -7.467210      8.733817
  C      -7.638726     -7.328516     10.120915
  C      -6.529051     -6.663797     10.659861
  S      -6.314433     -6.435733     12.404996
  C      -5.532874     -6.141198      9.825676
  H      -2.094200      0.267721      0.715022
  H      -3.212224      0.252385      2.095610
  H      -3.819325     -0.059039      0.458180
  H      -1.791137     -1.858756      1.946591
  H      -2.492334     -2.193284      0.360990
  H      -4.083772     -1.948970      2.961944
  H      -4.897096     -2.534647      0.109409
  H      -5.677820     -3.455361      1.415134
  H      -5.861697     -0.943136      2.372613
  H      -6.559869     -2.010360     -1.119003
  H      -7.710701     -0.519948     -2.708068
  H      -8.469730      1.747339     -2.034313
  H      -8.808813      3.534944     -0.565119
  H      -6.795892      1.079325      1.896756
  H     -10.317583     -6.532905      5.455231
  H      -9.936411     -4.810564      5.238410
  H      -9.189840     -5.724228      6.565672
  H      -8.698383     -6.252198      3.564331
  H      -7.993624     -7.180520      4.889722
  H      -6.927367     -5.079556      5.753563
  H      -8.473790     -3.866294      3.505697
  H      -6.788515     -3.328554      3.634446
  H      -7.715909     -3.309516      6.247133
  H      -8.467771     -1.491477      3.111751
  H      -8.889626      0.943717      3.087104
  H      -8.812240      2.283214      5.173273
  H      -8.437835      2.673400      7.439260
  H      -7.882548     -1.311869      7.394870
  H      -0.297799     -6.845814      7.062971
  H      -0.690315     -6.228594      8.679084
  H       0.780553     -5.688033      7.857203
  H      -0.910864     -3.904021      7.763958
  H      -0.527021     -4.462145      6.143309
  H      -2.908654     -3.878218      6.743086
  H      -2.877073     -6.594535      8.146767
  H      -3.177246     -4.982990      8.838898
  H      -4.782789     -6.009461      6.598664
  H      -6.818791     -7.086656      6.813014
  H      -8.577638     -7.998081      8.302960
  H      -8.413374     -7.737195     10.770227
  H      -7.439134     -7.085540     12.781902
  H      -4.679983     -5.623854     10.266135
  N      -4.777225     -2.975032      5.473749
  H      -5.013023     -3.402916      6.378534
  H      -5.607382     -2.439470      5.203652
  H      -4.027974     -2.293521      5.653106
  N      -1.969753     -2.065881      4.959580
  N      -0.962973     -1.783909      4.576819
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5658515-4aaE/orca E -7240.574807314093
  N      -3.437693     -3.832297      2.477664
  C      -2.953720     -4.714973      1.418216
  C      -2.523666     -6.039345      2.037774
  N      -3.533176     -6.487232      3.030095
  C      -4.768848     -7.017796      2.392834
  C      -5.948768     -6.900678      3.350043
  N      -5.936136     -5.571115      3.979414
  Mo     -4.132406     -4.710690      4.127279
  N      -2.875511     -5.493192      5.483984
  C      -2.175001     -6.717445      5.097001
  C      -2.974146     -7.445222      4.019872
  H      -2.059719     -7.418377      5.944822
  H      -1.148616     -6.502091      4.736364
  H      -3.830353     -7.949179      4.489624
  H      -2.364050     -8.214381      3.511787
  H      -6.862831     -7.084961      2.758724
  H      -5.905224     -7.721337      4.098370
  H      -4.964246     -6.397902      1.506814
  H      -4.626488     -8.063227      2.058855
  H      -2.079547     -4.293352      0.888766
  H      -3.724527     -4.890189      0.636637
  H      -1.584880     -5.891526      2.589891
  H      -2.355290     -6.811210      1.262929
  C      -2.931839     -0.228693      1.174212
  C      -2.672327     -1.722368      1.368449
  C      -3.823480     -2.488019      2.048282
  C      -5.115217     -2.493717      1.187276
  N      -5.926530     -1.322505      1.447414
  C      -6.581343     -0.564987      0.508773
  C      -6.870539     -1.038996     -0.789749
  C      -7.568147     -0.226301     -1.682799
  C      -8.005517      1.051450     -1.332089
  C      -7.717934      1.525245     -0.041658
  S      -8.218881      3.133670      0.518141
  C      -7.005885      0.735353      0.859663
  C      -9.517834     -5.746081      5.514369
  C      -8.354141     -6.144146      4.606098
  C      -7.176497     -5.155115      4.672581
  C      -7.614752     -3.750424      4.193734
  N      -7.977797     -2.908898      5.322302
  C      -8.172872     -1.548436      5.240556
  C      -8.428055     -0.902166      4.011680
  C      -8.674118      0.471370      3.995195
  C      -8.650231      1.237124      5.160126
  C      -8.367081      0.600344      6.380124
  S      -8.294825      1.483886      7.916863
  C      -8.130692     -0.774144      6.420701
  C      -0.266455     -5.972268      7.693441
  C      -1.011471     -4.781423      7.082960
  C      -2.525155     -4.924075      6.787114
  C      -3.283422     -5.612616      7.939938
  N      -4.694282     -5.709288      7.586160
  C      -5.623325     -6.288630      8.439650
  C      -6.754808     -6.936765      7.900051
  C      -7.733637     -7.457557      8.738751
  C      -7.624121     -7.365145     10.128298
  C      -6.492524     -6.741742     10.671015
  S      -6.248167     -6.574196     12.419207
  C      -5.496759     -6.214295      9.839305
  H      -2.042187      0.269476      0.762506
  H      -3.172646      0.258182      2.132345
  H      -3.768255     -0.038306      0.487598
  H      -1.769675     -1.865259      1.982382
  H      -2.462529     -2.184767      0.389953
  H      -4.072356     -1.944216      2.979737
  H      -4.860463     -2.517227      0.115722
  H      -5.669198     -3.424534      1.414367
  H      -5.803208     -0.888984      2.357256
  H      -6.577396     -2.045192     -1.088051
  H      -7.789072     -0.607316     -2.682156
  H      -8.556962      1.667010     -2.043040
  H      -8.885733      3.483962     -0.605115
  H      -6.772202      1.114426      1.857104
  H     -10.327728     -6.487530      5.456251
  H      -9.935348     -4.767747      5.238441
  H      -9.193091     -5.685538      6.565176
  H      -8.707261     -6.220529      3.564315
  H      -8.006573     -7.149517      4.891098
  H      -6.934291     -5.047648      5.751940
  H      -8.464919     -3.836552      3.492388
  H      -6.776512     -3.309327      3.624547
  H      -7.720412     -3.272701      6.235091
  H      -8.455282     -1.473135      3.084391
  H      -8.898446      0.957479      3.043947
  H      -8.847790      2.308719      5.123843
  H      -8.498810      2.713304      7.391461
  H      -7.905486     -1.267178      7.370871
  H      -0.295605     -6.865477      7.055974
  H      -0.674302     -6.250078      8.675973
  H       0.791521     -5.711451      7.843772
  H      -0.898242     -3.923957      7.767249
  H      -0.523920     -4.478291      6.143263
  H      -2.902179     -3.892096      6.758421
  H      -2.862691     -6.614496      8.151763
  H      -3.160891     -5.004983      8.849628
  H      -4.777327     -6.012096      6.609421
  H      -6.847316     -7.032997      6.817739
  H      -8.602432     -7.956194      8.303743
  H      -8.398473     -7.777361     10.775685
  H      -7.378687     -7.215932     12.792436
  H      -4.625558     -5.732249     10.284061
  N      -4.772389     -2.973945      5.488451
  H      -5.011696     -3.394021      6.395752
  H      -5.600311     -2.437504      5.212812
  H      -4.022390     -2.292685      5.666741
  N      -1.965128     -2.071827      4.981098
  N      -0.942033     -1.811492      4.626756
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5658515-4aaE/orca E -7240.575219866620
  N      -3.425670     -3.828512      2.488297
  C      -2.945157     -4.709696      1.426022
  C      -2.526325     -6.039383      2.041282
  N      -3.540177     -6.480928      3.031597
  C      -4.779738     -6.998336      2.391672
  C      -5.959632     -6.875973      3.347871
  N      -5.937823     -5.549322      3.982621
  Mo     -4.127439     -4.703778      4.136704
  N      -2.875055     -5.498537      5.490367
  C      -2.184732     -6.727273      5.098193
  C      -2.990314     -7.445581      4.019751
  H      -2.074167     -7.431408      5.943970
  H      -1.157426     -6.517721      4.737052
  H      -3.851158     -7.942613      4.488361
  H      -2.386856     -8.219085      3.510230
  H      -6.874076     -7.050648      2.754265
  H      -5.922748     -7.699670      4.093003
  H      -4.969230     -6.372770      1.508436
  H      -4.645615     -8.043624      2.053709
  H      -2.066788     -4.291283      0.901249
  H      -3.715297     -4.875839      0.641934
  H      -1.586655     -5.901135      2.594335
  H      -2.364565     -6.810696      1.264541
  C      -2.879210     -0.222256      1.207218
  C      -2.635624     -1.719199      1.396373
  C      -3.798832     -2.479407      2.062259
  C      -5.081953     -2.471601      1.189665
  N      -5.875522     -1.287864      1.443206
  C      -6.572777     -0.564815      0.508763
  C      -6.894561     -1.077269     -0.767240
  C      -7.632749     -0.298708     -1.658114
  C      -8.079529      0.980732     -1.325845
  C      -7.759808      1.492386     -0.057647
  S      -8.270704      3.105929      0.478087
  C      -7.007047      0.737423      0.840577
  C      -9.521842     -5.703917      5.510551
  C      -8.360506     -6.107156      4.601312
  C      -7.178637     -5.123214      4.667790
  C      -7.606970     -3.717612      4.181742
  N      -7.972908     -2.871387      5.305403
  C      -8.180302     -1.513254      5.216388
  C      -8.430809     -0.874882      3.982699
  C      -8.688953      0.496226      3.957941
  C      -8.682627      1.267102      5.119736
  C      -8.404961      0.638257      6.344976
  S      -8.354594      1.528882      7.878616
  C      -8.156166     -0.733810      6.393675
  C      -0.259618     -5.999173      7.688391
  C      -1.001951     -4.803259      7.084897
  C      -2.518070     -4.938315      6.795274
  C      -3.272326     -5.629784      7.948387
  N      -4.683548     -5.722102      7.599405
  C      -5.611391     -6.308428      8.448059
  C      -6.763017     -6.917625      7.904710
  C      -7.739855     -7.446066      8.740602
  C      -7.609508     -7.399498     10.130932
  C      -6.458542     -6.815145     10.676126
  S      -6.186904     -6.707480     12.425073
  C      -5.463824     -6.280981      9.847183
  H      -1.979931      0.269144      0.808285
  H      -3.125404      0.262678      2.165035
  H      -3.705904     -0.020375      0.512212
  H      -1.739562     -1.872970      2.017269
  H      -2.421732     -2.178313      0.417305
  H      -4.051647     -1.939054      2.994636
  H      -4.816827     -2.501035      0.120170
  H      -5.651572     -3.394059      1.412582
  H      -5.732310     -0.835088      2.340265
  H      -6.592598     -2.085785     -1.048268
  H      -7.878498     -0.708288     -2.640213
  H      -8.662657      1.569128     -2.034542
  H      -8.982046      3.415967     -0.629641
  H      -6.749364      1.144889      1.820705
  H     -10.335954     -6.440640      5.452600
  H      -9.933981     -4.722848      5.236217
  H      -9.195052     -5.645942      6.560932
  H      -8.714395     -6.183019      3.559825
  H      -8.016874     -7.113753      4.886934
  H      -6.940882     -5.011749      5.747808
  H      -8.454517     -3.801035      3.476711
  H      -6.763655     -3.282839      3.614986
  H      -7.726218     -3.231944      6.222219
  H      -8.442294     -1.449328      3.057288
  H      -8.908037      0.976133      3.002307
  H      -8.889394      2.336743      5.076983
  H      -8.570419      2.753584      7.346897
  H      -7.935129     -1.221081      7.347794
  H      -0.297792     -6.891098      7.049571
  H      -0.662400     -6.276805      8.673071
  H       0.800687     -5.744205      7.832184
  H      -0.881691     -3.948229      7.771066
  H      -0.517439     -4.499503      6.143938
  H      -2.891397     -3.904594      6.772610
  H      -2.852440     -6.632748      8.157086
  H      -3.145238     -5.023805      8.858909
  H      -4.772146     -6.007321      6.617590
  H      -6.873154     -6.976429      6.821414
  H      -8.624260     -7.913521      8.302421
  H      -8.383097     -7.816312     10.776247
  H      -7.321170     -7.344779     12.794383
  H      -4.576627     -5.831636     10.294607
  N      -4.762782     -2.969343      5.502793
  H      -5.005928     -3.382213      6.412237
  H      -5.587267     -2.429518      5.223240
  H      -4.010188     -2.290652      5.680666
  N      -1.957386     -2.085422      5.000830
  N      -0.918029     -1.851958      4.676208
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5658515-4aaE/orca E -7240.575655751410
  N      -3.405072     -3.823932      2.497600
  C      -2.928099     -4.704890      1.433787
  C      -2.525146     -6.040244      2.045911
  N      -3.546338     -6.471978      3.032394
  C      -4.789700     -6.973432      2.387882
  C      -5.970753     -6.843857      3.341012
  N      -5.938698     -5.520506      3.981340
  Mo     -4.120277     -4.693555      4.144067
  N      -2.874247     -5.501344      5.496663
  C      -2.197394     -6.736570      5.100346
  C      -3.009950     -7.443774      4.020520
  H      -2.094474     -7.443595      5.944712
  H      -1.168290     -6.535591      4.739634
  H      -3.877417     -7.930807      4.487386
  H      -2.414776     -8.223759      3.510914
  H      -6.884884     -7.007139      2.743662
  H      -5.943307     -7.670760      4.082850
  H      -4.970275     -6.341390      1.507483
  H      -4.665665     -8.018720      2.045738
  H      -2.043781     -4.291362      0.915390
  H      -3.696712     -4.860401      0.646067
  H      -1.585443     -5.913599      2.601645
  H      -2.370723     -6.812061      1.268217
  C      -2.815664     -0.217587      1.235694
  C      -2.588078     -1.717380      1.421495
  C      -3.764194     -2.470728      2.072799
  C      -5.038572     -2.449925      1.188796
  N      -5.814791     -1.254379      1.436458
  C      -6.564734     -0.573343      0.511963
  C      -6.924539     -1.132050     -0.734077
  C      -7.713432     -0.396652     -1.618146
  C      -8.174428      0.882840     -1.306629
  C      -7.817315      1.440154     -0.067966
  S      -8.343862      3.057629      0.440113
  C      -7.014252      0.729143      0.822577
  C      -9.525596     -5.649266      5.502013
  C      -8.367381     -6.059623      4.591644
  C      -7.179105     -5.083354      4.659372
  C      -7.594933     -3.675280      4.169101
  N      -7.962616     -2.826668      5.289887
  C      -8.184330     -1.471192      5.196570
  C      -8.432005     -0.838605      3.959703
  C      -8.703796      0.529683      3.929469
  C      -8.715166      1.303153      5.089468
  C      -8.441228      0.680096      6.318424
  S      -8.412714      1.574654      7.850482
  C      -8.178258     -0.689120      6.372380
  C      -0.257043     -6.030389      7.686163
  C      -0.992583     -4.827303      7.089016
  C      -2.511078     -4.951111      6.803649
  C      -3.264431     -5.644318      7.956219
  N      -4.675550     -5.728869      7.609637
  C      -5.602780     -6.325910      8.450929
  C      -6.770254     -6.900027      7.902193
  C      -7.745567     -7.439613      8.732375
  C      -7.598377     -7.438699     10.122096
  C      -6.432148     -6.889861     10.671214
  S      -6.139231     -6.841598     12.419252
  C      -5.438182     -6.345123      9.847789
  H      -1.906306      0.266853      0.851149
  H      -3.069766      0.266503      2.191953
  H      -3.630871     -0.005601      0.530273
  H      -1.699970     -1.881310      2.051108
  H      -2.368209     -2.174020      0.442681
  H      -4.021228     -1.932390      3.005239
  H      -4.764574     -2.486568      0.121077
  H      -5.623518     -3.363898      1.408348
  H      -5.646560     -0.778992      2.316876
  H      -6.609292     -2.141733     -0.995337
  H      -7.988213     -0.840589     -2.577339
  H      -8.797208      1.436804     -2.009333
  H      -9.107024      3.318424     -0.645646
  H      -6.728515      1.171177      1.779610
  H     -10.345556     -6.379335      5.444050
  H      -9.930167     -4.664468      5.229698
  H      -9.196531     -5.594916      6.552105
  H      -8.722094     -6.133436      3.550367
  H      -8.029976     -7.068301      4.877423
  H      -6.945967     -4.970511      5.740290
  H      -8.439889     -3.753371      3.460204
  H      -6.745902     -3.246401      3.606231
  H      -7.726191     -3.185117      6.209994
  H      -8.427748     -1.414257      3.035023
  H      -8.918652      1.005200      2.970635
  H      -8.932402      2.370561      5.042408
  H      -8.642362      2.795160      7.314843
  H      -7.959644     -1.172254      7.329208
  H      -0.305475     -6.920649      7.045698
  H      -0.657021     -6.307254      8.672214
  H       0.805922     -5.784021      7.825266
  H      -0.864088     -3.975374      7.777563
  H      -0.509157     -4.523721      6.147583
  H      -2.878661     -3.914959      6.787023
  H      -2.847794     -6.649119      8.162811
  H      -3.133152     -5.039927      8.867676
  H      -4.768199     -5.994953      6.622812
  H      -6.894239     -6.921837      6.819086
  H      -8.642414     -7.878286      8.289825
  H      -8.371483     -7.862503     10.763409
  H      -7.275444     -7.479384     12.781535
  H      -4.538462     -5.924944     10.298505
  N      -4.750814     -2.961229      5.516641
  H      -4.998439     -3.368036      6.427530
  H      -5.570922     -2.415893      5.234690
  H      -3.994242     -2.287076      5.695340
  N      -1.938636     -2.096081      5.022618
  N      -0.882696     -1.896129      4.730696
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5658515-4aaE/orca E -7240.576091446035
  N      -3.375561     -3.817962      2.504036
  C      -2.902834     -4.700634      1.440481
  C      -2.520455     -6.041615      2.050962
  N      -3.551664     -6.459848      3.031980
  C      -4.798582     -6.943071      2.381096
  C      -5.981776     -6.804123      3.328949
  N      -5.938147     -5.484456      3.974605
  Mo     -4.110807     -4.680044      4.147756
  N      -2.872629     -5.501152      5.501935
  C      -2.212578     -6.744470      5.102357
  C      -3.032594     -7.439082      4.021396
  H      -2.119930     -7.453963      5.945990
  H      -1.180862     -6.554934      4.742785
  H      -3.908292     -7.913302      4.486093
  H      -2.447332     -8.227370      3.512735
  H      -6.895051     -6.954367      2.726660
  H      -5.966779     -7.634204      4.067614
  H      -4.967120     -6.304083      1.503426
  H      -4.686474     -7.988520      2.034725
  H      -2.011137     -4.293933      0.929481
  H      -3.669522     -4.844403      0.648526
  H      -1.581625     -5.928388      2.611038
  H      -2.374216     -6.815260      1.273473
  C      -2.742821     -0.214090      1.259009
  C      -2.529640     -1.716254      1.442431
  C      -3.719003     -2.461946      2.078321
  C      -4.985181     -2.428876      1.183690
  N      -5.747199     -1.223708      1.426434
  C      -6.558060     -0.592642      0.518622
  C      -6.958403     -1.205514     -0.689108
  C      -7.806885     -0.523565     -1.560705
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  C      -7.890215      1.365080     -0.072367
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  C      -8.184226     -1.422549      5.184330
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  C      -7.589824     -7.479939     10.102769
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  H      -1.824084      0.264666      0.889844
  H      -3.007386      0.269449      2.212768
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  H      -1.651028     -1.889340      2.082741
  H      -2.301148     -2.170453      0.464537
  H      -3.980532     -1.924244      3.010104
  H      -4.704332     -2.473320      0.117316
  H      -5.583759     -3.334870      1.401103
  H      -5.551101     -0.723044      2.286359
  H      -6.624704     -2.214642     -0.928108
  H      -8.112974     -1.008090     -2.490307
  H      -8.956944      1.265177     -1.965010
  H      -9.259298      3.185995     -0.653437
  H      -6.712584      1.191886      1.731792
  H     -10.357783     -6.303425      5.422420
  H      -9.924802     -4.592302      5.213663
  H      -9.201611     -5.533866      6.533959
  H      -8.728218     -6.068415      3.531462
  H      -8.046706     -7.012566      4.857579
  H      -6.949338     -4.926171      5.729426
  H      -8.415892     -3.692121      3.440751
  H      -6.719101     -3.197245      3.603055
  H      -7.725910     -3.134772      6.199764
  H      -8.400174     -1.362249      3.019665
  H      -8.915670      1.051069      2.954622
  H      -8.971132      2.411202      5.028963
  H      -8.718867      2.833054      7.306196
  H      -7.988902     -1.126354      7.320268
  H      -0.318822     -6.952762      7.044270
  H      -0.660129     -6.340384      8.673128
  H       0.806064     -5.829682      7.824384
  H      -0.846587     -4.004440      7.786777
  H      -0.498975     -4.549648      6.154296
  H      -2.865053     -3.922911      6.800885
  H      -2.850395     -6.663838      8.166082
  H      -3.125804     -5.054458      8.874691
  H      -4.767324     -5.975597      6.623163
  H      -6.909300     -6.877019      6.809887
  H      -8.654688     -7.856642      8.267146
  H      -8.361837     -7.913197     10.739099
  H      -7.242901     -7.604178     12.755892
  H      -4.512751     -6.002188     10.294189
  N      -4.736132     -2.949090      5.529663
  H      -4.988357     -3.353574      6.440371
  H      -5.551468     -2.396094      5.248598
  H      -3.974194     -2.281908      5.711113
  N      -1.916659     -2.112667      5.043331
  N      -0.845593     -1.953988      4.783381
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5658515-4aaE/orca E -7240.576512217903
  N      -3.350660     -3.810661      2.510775
  C      -2.881975     -4.694940      1.447005
  C      -2.516769     -6.041194      2.055353
  N      -3.556111     -6.448639      3.032190
  C      -4.806175     -6.915575      2.375689
  C      -5.990564     -6.768316      3.320259
  N      -5.935136     -5.451966      3.971224
  Mo     -4.100583     -4.667366      4.152025
  N      -2.870049     -5.501876      5.506492
  C      -2.224492     -6.751907      5.103726
  C      -3.051523     -7.435240      4.021610
  H      -2.139994     -7.463946      5.946138
  H      -1.190633     -6.572838      4.744897
  H      -3.933882     -7.898729      4.484597
  H      -2.475260     -8.230454      3.513305
  H      -6.903576     -6.906605      2.714633
  H      -5.986628     -7.601407      4.055675
  H      -4.964485     -6.270194      1.500833
  H      -4.704555     -7.960610      2.024762
  H      -1.984159     -4.294890      0.941544
  H      -3.646813     -4.828551      0.651344
  H      -1.578420     -5.940046      2.618462
  H      -2.377650     -6.815350      1.277073
  C      -2.677751     -0.209082      1.280434
  C      -2.478766     -1.713547      1.461768
  C      -3.679753     -2.451422      2.085405
  C      -4.937661     -2.407041      1.180538
  N      -5.687426     -1.192702      1.414330
  C      -6.554529     -0.611224      0.526598
  C      -6.996113     -1.277839     -0.637782
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  C      -7.956059      1.294029     -0.072887
  S      -8.518881      2.919385      0.366437
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  C      -9.534002     -5.518673      5.464499
  C      -8.378150     -5.944164      4.557861
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  C      -7.554526     -3.573607      4.144720
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  C      -8.515325      0.764373      6.291330
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  N      -4.668358     -5.731337      7.618581
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  H      -1.751380      0.263481      0.922592
  H      -2.948697      0.274189      2.232569
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  H      -1.607916     -1.895712      2.109994
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  H      -3.944828     -1.914060      3.016585
  H      -4.648408     -2.458646      0.116034
  H      -5.549092     -3.305451      1.395920
  H      -5.466609     -0.666603      2.252291
  H      -6.648600     -2.287254     -0.854621
  H      -8.238205     -1.173337     -2.388270
  H      -9.107586      1.099532     -1.907713
  H      -9.399829      3.057451     -0.650587
  H      -6.692855      1.214616      1.679479
  H     -10.366961     -6.233055      5.399295
  H      -9.919343     -4.525157      5.195943
  H      -9.208396     -5.475657      6.516419
  H      -8.729128     -6.007221      3.514682
  H      -8.059860     -6.959741      4.841112
  H      -6.949211     -4.883532      5.721258
  H      -8.387383     -3.636507      3.420106
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  H      -7.727067     -3.086898      6.187976
  H      -8.358466     -1.310976      3.000108
  H      -8.898064      1.096222      2.932075
  H      -9.003396      2.450611      5.008184
  H      -8.801029      2.868263      7.290812
  H      -8.025359     -1.082415      7.308191
  H      -0.331460     -6.984151      7.044931
  H      -0.663808     -6.372205      8.675739
  H       0.805805     -5.873953      7.825676
  H      -0.830522     -4.033082      7.796322
  H      -0.488380     -4.576047      6.161969
  H      -2.851470     -3.931824      6.815310
  H      -2.853107     -6.680692      8.165466
  H      -3.118301     -5.073385      8.881751
  H      -4.766038     -5.958720      6.622717
  H      -6.928525     -6.827382      6.802757
  H      -8.672070     -7.827291      8.247832
  H      -8.356749     -7.957956     10.714954
  H      -7.214137     -7.722873     12.728611
  H      -4.487866     -6.083381     10.286906
  N      -4.721083     -2.939907      5.542579
  H      -4.978191     -3.342947      6.452562
  H      -5.532400     -2.380646      5.261825
  H      -3.954757     -2.278396      5.725853
  N      -1.891882     -2.120763      5.059620
  N      -0.809165     -2.000026      4.828586
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5658515-4aaE/orca E -7240.576936263129
  N      -3.322272     -3.794046      2.515261
  C      -2.857292     -4.681619      1.452957
  C      -2.510624     -6.033131      2.059739
  N      -3.559935     -6.429959      3.030546
  C      -4.812102     -6.879982      2.365374
  C      -5.998430     -6.724949      3.305726
  N      -5.929774     -5.412698      3.963469
  Mo     -4.089614     -4.649009      4.152189
  N      -2.869404     -5.499556      5.510027
  C      -2.238689     -6.755615      5.103592
  C      -3.071482     -7.425924      4.018780
  H      -2.163453     -7.471377      5.943920
  H      -1.201818     -6.588333      4.747210
  H      -3.960986     -7.878998      4.478460
  H      -2.504247     -8.227504      3.510226
  H      -6.911180     -6.850145      2.696716
  H      -6.007574     -7.561920      4.036886
  H      -4.958139     -6.226869      1.494143
  H      -4.720789     -7.923749      2.007950
  H      -1.953019     -4.289233      0.952821
  H      -3.619665     -4.805809      0.653064
  H      -1.573780     -5.944642      2.627384
  H      -2.377494     -6.807379      1.280438
  C      -2.609103     -0.196158      1.299649
  C      -2.422644     -1.702830      1.478577
  C      -3.635495     -2.432380      2.089535
  C      -4.885719     -2.378167      1.174513
  N      -5.632261     -1.158710      1.394442
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  C      -8.002254     -0.819434     -1.415368
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  C      -8.043728      1.190635     -0.093834
  S      -8.630895      2.822110      0.286798
  C      -7.070667      0.655978      0.749064
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  C      -7.520439     -3.513601      4.139850
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  C      -8.354903     -0.674782      3.929249
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  C      -8.534588      0.808319      6.302883
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  C      -7.586143     -7.566960     10.052038
  C      -6.395229     -7.093334     10.615110
  S      -6.061976     -7.194291     12.353165
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  H      -1.677052      0.272322      0.951821
  H      -2.886822      0.285587      2.250623
  H      -3.394702      0.036488      0.567547
  H      -1.560661     -1.893981      2.135832
  H      -2.180994     -2.153850      0.502466
  H      -3.904751     -1.894432      3.019537
  H      -4.588962     -2.437488      0.111727
  H      -5.506739     -3.270637      1.389615
  H      -5.390843     -0.600756      2.205258
  H      -6.668650     -2.386876     -0.763453
  H      -8.368451     -1.398518     -2.265810
  H      -9.279333      0.871400     -1.855333
  H      -9.576843      2.872670     -0.678651
  H      -6.695189      1.236153      1.595007
  H     -10.377926     -6.141623      5.367090
  H      -9.910869     -4.438497      5.170283
  H      -9.220535     -5.399568      6.494354
  H      -8.726730     -5.926324      3.494440
  H      -8.078237     -6.893917      4.820428
  H      -6.940911     -4.840145      5.714634
  H      -8.343475     -3.565533      3.403363
  H      -6.642785     -3.099027      3.610901
  H      -7.723606     -3.037023      6.184464
  H      -8.282067     -1.233199      2.996800
  H      -8.834425      1.170636      2.938578
  H      -9.000735      2.504187      5.023675
  H      -8.865109      2.899619      7.313918
  H      -8.060628     -1.044279      7.315015
  H      -0.351537     -7.015932      7.048270
  H      -0.681144     -6.407593      8.681136
  H       0.795664     -5.921591      7.836845
  H      -0.822463     -4.063902      7.813584
  H      -0.480497     -4.601225      6.177148
  H      -2.844208     -3.940812      6.833859
  H      -2.866884     -6.701981      8.156491
  H      -3.121050     -5.101214      8.888824
  H      -4.773144     -5.940836      6.616741
  H      -6.942555     -6.804135      6.785013
  H      -8.682826     -7.832117      8.214331
  H      -8.355501     -8.021811     10.676575
  H      -7.203820     -7.836069     12.689776
  H      -4.483440     -6.148419     10.273378
  N      -4.708046     -2.928043      5.557897
  H      -4.969730     -3.339411      6.462826
  H      -5.516967     -2.362251      5.282782
  H      -3.937815     -2.273300      5.746655
  N      -1.869851     -2.129740      5.075531
  N      -0.778487     -2.053756      4.866778
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5658515-4aaE/orca E -7240.577297924002
  N      -3.304696     -3.783302      2.522976
  C      -2.845197     -4.672183      1.458166
  C      -2.509505     -6.029621      2.060564
  N      -3.563260     -6.421845      3.029785
  C      -4.818507     -6.857763      2.360777
  C      -6.003092     -6.696040      3.303251
  N      -5.920612     -5.386366      3.966590
  Mo     -4.074905     -4.637898      4.157469
  N      -2.866270     -5.507390      5.512674
  C      -2.245568     -6.767735      5.102483
  C      -3.084309     -7.427165      4.014076
  H      -2.175718     -7.487712      5.939498
  H      -1.206984     -6.609289      4.747418
  H      -3.978039     -7.873948      4.471638
  H      -2.524504     -8.232458      3.503550
  H      -6.917355     -6.810518      2.694839
  H      -6.020016     -7.535719      4.030777
  H      -4.958557     -6.198679      1.493077
  H      -4.735372     -7.899897      1.997689
  H      -1.936976     -4.287412      0.959389
  H      -3.606193     -4.788041      0.655898
  H      -1.571917     -5.952011      2.628385
  H      -2.381952     -6.800598      1.277260
  C      -2.547512     -0.189599      1.316021
  C      -2.380794     -1.698724      1.493898
  C      -3.603719     -2.415779      2.101176
  C      -4.846420     -2.350210      1.178803
  N      -5.580863     -1.121150      1.382639
  C      -6.553157     -0.648422      0.542427
  C      -7.064323     -1.427801     -0.519594
  C      -8.072347     -0.911308     -1.332844
  C      -8.603914      0.361631     -1.127682
  C      -8.094654      1.138724     -0.073720
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  C      -7.078035      0.647203      0.743559
  C      -9.530350     -5.388048      5.436927
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  C      -7.505573     -3.478811      4.125764
  N      -7.887318     -2.623134      5.234102
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  C      -8.355746     -0.643120      3.892658
  C      -8.680183      0.713468      3.856226
  C      -8.797726      1.473378      5.019238
  C      -8.578914      0.847438      6.257996
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  C      -8.263817     -0.510030      6.317428
  C      -0.274560     -6.171114      7.700004
  C      -0.965504     -4.933749      7.119213
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  C      -3.259847     -5.706874      7.968751
  N      -4.670974     -5.743792      7.621673
  C      -5.600842     -6.384987      8.425995
  C      -6.810512     -6.846072      7.861804
  C      -7.781375     -7.432466      8.664495
  C      -7.589569     -7.587722     10.040838
  C      -6.383799     -7.151143     10.602973
  S      -6.030668     -7.305876     12.333958
  C      -5.392310     -6.562139      9.806206
  H      -1.609259      0.267388      0.969821
  H      -2.819784      0.293857      2.267813
  H      -3.329498      0.053968      0.583521
  H      -1.521931     -1.901366      2.151766
  H      -2.143867     -2.152458      0.517932
  H      -3.871540     -1.877086      3.030823
  H      -4.541407     -2.418119      0.118280
  H      -5.480047     -3.234149      1.393095
  H      -5.319825     -0.539514      2.170383
  H      -6.684939     -2.434628     -0.690699
  H      -8.462700     -1.523450     -2.148696
  H      -9.395118      0.745581     -1.771861
  H      -9.691281      2.767128     -0.635579
  H      -6.681582      1.258337      1.557671
  H     -10.369800     -6.094520      5.366169
  H      -9.903705     -4.392436      5.159423
  H      -9.217400     -5.344416      6.492033
  H      -8.715852     -5.890430      3.497345
  H      -8.071760     -6.851701      4.829903
  H      -6.928267     -4.794250      5.712013
  H      -8.325828     -3.535031      3.386337
  H      -6.625003     -3.072222      3.594934
  H      -7.721296     -2.991387      6.165226
  H      -8.269333     -1.205291      2.963674
  H      -8.853322      1.190507      2.889586
  H      -9.055060      2.531595      4.967290
  H      -8.953797      2.936932      7.257298
  H      -8.092261     -0.994240      7.283114
  H      -0.360487     -7.052098      7.050712
  H      -0.680855     -6.442085      8.685046
  H       0.797772     -5.967970      7.837022
  H      -0.806888     -4.097456      7.820313
  H      -0.469584     -4.635373      6.183037
  H      -2.828411     -3.956737      6.848015
  H      -2.868764     -6.726677      8.149518
  H      -3.109870     -5.130942      8.896034
  H      -4.770423     -5.931237      6.617407
  H      -6.969294     -6.745596      6.787735
  H      -8.710741     -7.782581      8.210308
  H      -8.360321     -8.045986     10.661150
  H      -7.180067     -7.935722     12.667673
  H      -4.459037     -6.233612     10.264103
  N      -4.684636     -2.924248      5.570122
  H      -4.952147     -3.335213      6.473292
  H      -5.489401     -2.353150      5.292907
  H      -3.911004     -2.273781      5.759836
  N      -1.849428     -2.139696      5.079210
  N      -0.752114     -2.092129      4.892560
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5658515-4aaE/orca E -7240.577601198526
  N      -3.289125     -3.763922      2.528422
  C      -2.834317     -4.653892      1.461461
  C      -2.508361     -6.017456      2.057934
  N      -3.567202     -6.408960      3.023041
  C      -4.824447     -6.830752      2.347129
  C      -6.008717     -6.665154      3.290298
  N      -5.912182     -5.360484      3.964118
  Mo     -4.063247     -4.626248      4.156758
  N      -2.867496     -5.517789      5.509884
  C      -2.255091     -6.780195      5.094476
  C      -3.097041     -7.426593      3.999716
  H      -2.191330     -7.506212      5.926775
  H      -1.214127     -6.629557      4.742794
  H      -3.994537     -7.870326      4.452649
  H      -2.543010     -8.232327      3.484081
  H      -6.923866     -6.766685      2.681334
  H      -6.034855     -7.509809      4.011371
  H      -4.957586     -6.163649      1.484525
  H      -4.747779     -7.870091      1.975632
  H      -1.922585     -4.275857      0.963902
  H      -3.593828     -4.762443      0.656926
  H      -1.571113     -5.950583      2.627583
  H      -2.384154     -6.783178      1.268988
  C      -2.494441     -0.174102      1.333274
  C      -2.341546     -1.684638      1.510974
  C      -3.574644     -2.391669      2.109982
  C      -4.808480     -2.319800      1.178010
  N      -5.543985     -1.087541      1.358653
  C      -6.552931     -0.664809      0.534477
  C      -7.072988     -1.486807     -0.490680
  C      -8.113197     -1.018272     -1.292595
  C      -8.667852      0.248889     -1.113474
  C      -8.149913      1.068029     -0.096231
  S      -8.775314      2.699884      0.216495
  C      -7.104040      0.623307      0.710395
  C      -9.528259     -5.326300      5.424899
  C      -8.367779     -5.782066      4.541469
  C      -7.136281     -4.862277      4.628169
  C      -7.477100     -3.438116      4.126843
  N      -7.861429     -2.582267      5.233348
  C      -8.151726     -1.242035      5.138331
  C      -8.328188     -0.600388      3.893673
  C      -8.667978      0.752356      3.859051
  C      -8.819963      1.503353      5.023990
  C      -8.621828      0.871364      6.263139
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  C      -8.291991     -0.482594      6.320787
  C      -0.279530     -6.211415      7.695321
  C      -0.963617     -4.967272      7.120227
  C      -2.484652     -5.025001      6.833334
  C      -3.261002     -5.736027      7.963650
  N      -4.674415     -5.758878      7.623095
  C      -5.604650     -6.398863      8.426402
  C      -6.826181     -6.836202      7.869799
  C      -7.795138     -7.422072      8.675354
  C      -7.591216     -7.600488     10.046867
  C      -6.373823     -7.187020     10.602251
  S      -6.001470     -7.371923     12.326962
  C      -5.384729     -6.598718      9.802820
  H      -1.552079      0.275949      0.989690
  H      -2.765585      0.309851      2.285278
  H      -3.272607      0.075827      0.598789
  H      -1.488110     -1.895472      2.173337
  H      -2.103243     -2.140538      0.536358
  H      -3.845406     -1.852726      3.038233
  H      -4.494167     -2.398848      0.120584
  H      -5.448390     -3.197191      1.394010
  H      -5.274157     -0.478634      2.122599
  H      -6.673467     -2.488137     -0.647066
  H      -8.508667     -1.664112     -2.079490
  H      -9.481725      0.597539     -1.749362
  H      -9.807633      2.632497     -0.654747
  H      -6.706248      1.266266      1.498971
  H     -10.369702     -6.030454      5.352317
  H      -9.896628     -4.331650      5.137588
  H      -9.224795     -5.277358      6.482208
  H      -8.705584     -5.838673      3.493587
  H      -8.078260     -6.804543      4.830548
  H      -6.909874     -4.761451      5.711972
  H      -8.289683     -3.487707      3.378329
  H      -6.588159     -3.037971      3.604831
  H      -7.721148     -2.960558      6.164555
  H      -8.217882     -1.156185      2.963267
  H      -8.827257      1.233567      2.892092
  H      -9.088694      2.558785      4.973327
  H      -9.050429      2.948025      7.267158
  H      -8.139412     -0.970762      7.287489
  H      -0.371246     -7.089050      7.042179
  H      -0.687025     -6.483514      8.679547
  H       0.794111     -6.015519      7.832337
  H      -0.799190     -4.135263      7.825056
  H      -0.465348     -4.668425      6.185351
  H      -2.821394     -3.978319      6.860643
  H      -2.877337     -6.761471      8.128441
  H      -3.101816     -5.175371      8.898562
  H      -4.781604     -5.932811      6.616953
  H      -6.995444     -6.719048      6.799053
  H      -8.734003     -7.754459      8.227224
  H      -8.360842     -8.059183     10.668228
  H      -7.157893     -7.985798     12.666440
  H      -4.442608     -6.288028     10.255214
  N      -4.668587     -2.923231      5.584289
  H      -4.937092     -3.348242      6.480604
  H      -5.474219     -2.350382      5.312531
  H      -3.894967     -2.275252      5.780489
  N      -1.838346     -2.153034      5.089041
  N      -0.739178     -2.135600      4.907254
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5658515-4aaE/orca E -7240.577839633432
  N      -3.262829     -3.754616      2.530680
  C      -2.814590     -4.646495      1.462308
  C      -2.504283     -6.015426      2.054219
  N      -3.569299     -6.400177      3.014951
  C      -4.829633     -6.804141      2.334528
  C      -6.013188     -6.630573      3.276613
  N      -5.902225     -5.331475      3.958868
  Mo     -4.046217     -4.615723      4.154844
  N      -2.865767     -5.529497      5.506868
  C      -2.265887     -6.796204      5.086633
  C      -3.112035     -7.427964      3.986764
  H      -2.211688     -7.526839      5.915644
  H      -1.222577     -6.654788      4.738039
  H      -4.015115     -7.864369      4.435618
  H      -2.565824     -8.236538      3.467285
  H      -6.928287     -6.717102      2.665418
  H      -6.050312     -7.478982      3.992514
  H      -4.953894     -6.130068      1.476152
  H      -4.763117     -7.842053      1.957125
  H      -1.897705     -4.276840      0.967974
  H      -3.573011     -4.745225      0.655692
  H      -1.567732     -5.961198      2.626334
  H      -2.386447     -6.778525      1.261627
  C      -2.426481     -0.173367      1.338988
  C      -2.290389     -1.685050      1.518649
  C      -3.533848     -2.378896      2.111482
  C      -4.761550     -2.301499      1.173623
  N      -5.488344     -1.062369      1.339452
  C      -6.537800     -0.678041      0.547204
  C      -7.080207     -1.533253     -0.438040
  C      -8.160688     -1.103771     -1.208252
  C      -8.732537      0.156664     -1.036891
  C      -8.192076      1.009055     -0.059325
  S      -8.835166      2.636948      0.238859
  C      -7.108649      0.602348      0.716993
  C      -9.519244     -5.267313      5.418869
  C      -8.360060     -5.735603      4.539948
  C      -7.123056     -4.822884      4.621944
  C      -7.455484     -3.397548      4.117496
  N      -7.842146     -2.540201      5.221443
  C      -8.162936     -1.207662      5.121050
  C      -8.336388     -0.572094      3.873207
  C      -8.706203      0.772415      3.831643
  C      -8.892572      1.521132      4.992952
  C      -8.699377      0.895171      6.235809
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  C      -8.339718     -0.450869      6.300398
  C      -0.280745     -6.256777      7.687974
  C      -0.954236     -5.005281      7.116481
  C      -2.476820     -5.047860      6.832821
  C      -3.255144     -5.758438      7.960336
  N      -4.669817     -5.762021      7.625825
  C      -5.603329     -6.400879      8.425992
  C      -6.834214     -6.814555      7.871462
  C      -7.805439     -7.398992      8.675251
  C      -7.595231     -7.599315     10.042617
  C      -6.368881     -7.208763     10.595448
  S      -5.987934     -7.422459     12.314908
  C      -5.377592     -6.622128      9.797817
  H      -1.477973      0.266209      0.998690
  H      -2.695694      0.314805      2.289491
  H      -3.198622      0.083940      0.600672
  H      -1.442296     -1.903752      2.185261
  H      -2.052420     -2.144720      0.545798
  H      -3.804546     -1.837079      3.037768
  H      -4.444085     -2.396189      0.117847
  H      -5.411515     -3.170411      1.394926
  H      -5.199755     -0.431999      2.078408
  H      -6.665570     -2.528899     -0.590207
  H      -8.573171     -1.775588     -1.964007
  H      -9.576084      0.475675     -1.649239
  H      -9.915917      2.519519     -0.565748
  H      -6.696661      1.269627      1.477532
  H     -10.362192     -5.970390      5.354053
  H      -9.885897     -4.275236      5.120757
  H      -9.215678     -5.207194      6.476017
  H      -8.697085     -5.797015      3.492189
  H      -8.076576     -6.757753      4.835955
  H      -6.893814     -4.719840      5.704827
  H      -8.265104     -3.444334      3.365273
  H      -6.562662     -3.002280      3.598283
  H      -7.720274     -2.921209      6.153827
  H      -8.200010     -1.126318      2.945251
  H      -8.862028      1.248839      2.861657
  H      -9.184031      2.570243      4.936647
  H      -9.200614      2.960209      7.230844
  H      -8.192642     -0.934623      7.270059
  H      -0.382300     -7.132612      7.033784
  H      -0.688386     -6.526541      8.672816
  H       0.795007     -6.071068      7.822471
  H      -0.779906     -4.176074      7.822266
  H      -0.455247     -4.709553      6.181049
  H      -2.803995     -3.998102      6.866685
  H      -2.882802     -6.789674      8.115728
  H      -3.085689     -5.207284      8.899443
  H      -4.783890     -5.923155      6.618579
  H      -7.009745     -6.679453      6.803808
  H      -8.751882     -7.711993      8.229076
  H      -8.367015     -8.056239     10.662525
  H      -7.152836     -8.019774     12.654844
  H      -4.428853     -6.328944     10.248297
  N      -4.643892     -2.918897      5.593270
  H      -4.913461     -3.351274      6.485491
  H      -5.447776     -2.341533      5.325733
  H      -3.868166     -2.275472      5.795512
  N      -1.810413     -2.172462      5.095097
  N      -0.709322     -2.185677      4.925179
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5658515-4aaE/orca E -7240.578078356231
  N      -3.247233     -3.743828      2.534075
  C      -2.801477     -4.634856      1.463665
  C      -2.501380     -6.008380      2.049183
  N      -3.570859     -6.392609      3.004210
  C      -4.833028     -6.780903      2.318811
  C      -6.017229     -6.603837      3.258883
  N      -5.895072     -5.312914      3.953978
  Mo     -4.034239     -4.609067      4.152993
  N      -2.868198     -5.544286      5.501425
  C      -2.276037     -6.812446      5.075489
  C      -3.123010     -7.430602      3.968800
  H      -2.230071     -7.548237      5.900462
  H      -1.230687     -6.676103      4.730938
  H      -4.030087     -7.864457      4.412138
  H      -2.580945     -8.238168      3.443490
  H      -6.931108     -6.674534      2.643854
  H      -6.064797     -7.458230      3.966965
  H      -4.950288     -6.099370      1.465295
  H      -4.773644     -7.816711      1.934424
  H      -1.880655     -4.269852      0.973165
  H      -3.558256     -4.726079      0.654822
  H      -1.566084     -5.963964      2.624202
  H      -2.386237     -6.766741      1.251343
  C      -2.385940     -0.166240      1.346566
  C      -2.259186     -1.678328      1.528850
  C      -3.509969     -2.365337      2.113640
  C      -4.730715     -2.289528      1.168056
  N      -5.453387     -1.045409      1.313035
  C      -6.527458     -0.689404      0.539651
  C      -7.082957     -1.569365     -0.415410
  C      -8.186195     -1.166373     -1.168040
  C      -8.765718      0.092057     -1.010392
  C      -8.212108      0.969520     -0.062691
  S      -8.857678      2.601096      0.210661
  C      -7.109819      0.587396      0.699358
  C      -9.516222     -5.229254      5.405706
  C      -8.356246     -5.702997      4.530185
  C      -7.113860     -4.798073      4.615919
  C      -7.433001     -3.367696      4.116773
  N      -7.820119     -2.515025      5.223337
  C      -8.169841     -1.189990      5.124469
  C      -8.322818     -0.548972      3.876992
  C      -8.714074      0.789284      3.835157
  C      -8.945243      1.525530      4.996289
  C      -8.775707      0.893472      6.239409
  S      -9.033317      1.740863      7.777550
  C      -8.393405     -0.446368      6.304200
  C      -0.280837     -6.296426      7.674047
  C      -0.948008     -5.039717      7.107067
  C      -2.472686     -5.071797      6.829027
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  N      -4.666113     -5.768129      7.631000
  C      -5.601880     -6.397760      8.436078
  C      -6.845844     -6.786475      7.892301
  C      -7.817437     -7.361211      8.702769
  C      -7.595411     -7.576504     10.066065
  C      -6.356595     -7.209493     10.607852
  S      -5.959534     -7.444356     12.321146
  C      -5.365247     -6.632704      9.803551
  H      -1.432939      0.267066      1.010556
  H      -2.656223      0.325552      2.294927
  H      -3.151883      0.095083      0.603122
  H      -1.416113     -1.900126      2.200606
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  H      -3.784769     -1.821868      3.037569
  H      -4.407157     -2.403497      0.115743
  H      -5.387723     -3.150570      1.397782
  H      -5.153463     -0.395696      2.030212
  H      -6.660710     -2.562745     -0.560276
  H      -8.608411     -1.857985     -1.900179
  H      -9.624116      0.391443     -1.611994
  H      -9.965360      2.453904     -0.551193
  H      -6.691035      1.272228      1.440343
  H     -10.359488     -5.932096      5.343399
  H      -9.882214     -4.238612      5.102234
  H      -9.214164     -5.163599      6.462938
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  H      -8.078838     -6.726799      4.826435
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  H      -8.237977     -3.402647      3.358505
  H      -6.533620     -2.977422      3.605386
  H      -7.726944     -2.908117      6.153708
  H      -8.148438     -1.092713      2.949237
  H      -8.849418      1.271262      2.864754
  H      -9.251806      2.570338      4.939498
  H      -9.349235      2.939398      7.236408
  H      -8.265115     -0.935219      7.273968
  H      -0.389405     -7.170395      7.018381
  H      -0.687327     -6.566044      8.659449
  H       0.796366     -6.117197      7.805675
  H      -0.765295     -4.212669      7.813284
  H      -0.450992     -4.745492      6.170166
  H      -2.792129     -4.019707      6.868459
  H      -2.887493     -6.820543      8.098017
  H      -3.066911     -5.243515      8.897548
  H      -4.792498     -5.922669      6.624210
  H      -7.032503     -6.638383      6.828229
  H      -8.774240     -7.654299      8.265188
  H      -8.367747     -8.025682     10.690820
  H      -7.131100     -8.022960     12.670197
  H      -4.407464     -6.357267     10.245969
  N      -4.628709     -2.921531      5.602315
  H      -4.894805     -3.366070      6.489802
  H      -5.435438     -2.345219      5.341030
  H      -3.855316     -2.277696      5.812074
  N      -1.791421     -2.186735      5.104333
  N      -0.690670     -2.218974      4.934456
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5658515-4aaE/orca E -7240.578303557487
  N      -3.232473     -3.735334      2.540357
  C      -2.790048     -4.623917      1.466344
  C      -2.498776     -6.002185      2.043604
  N      -3.570923     -6.386964      2.994083
  C      -4.835908     -6.760046      2.306674
  C      -6.018786     -6.581792      3.247628
  N      -5.886109     -5.299694      3.955314
  Mo     -4.020498     -4.606597      4.154866
  N      -2.865874     -5.563314      5.497014
  C      -2.281651     -6.831904      5.062488
  C      -3.130922     -7.435384      3.950124
  H      -2.242641     -7.573497      5.882657
  H      -1.234937     -6.699520      4.720427
  H      -4.041194     -7.867219      4.389065
  H      -2.593417     -8.241275      3.417563
  H      -6.932372     -6.637099      2.630467
  H      -6.075042     -7.442935      3.947177
  H      -4.948741     -6.071021      1.458467
  H      -4.784245     -7.793511      1.914624
  H      -1.866463     -4.261663      0.978899
  H      -3.546889     -4.707043      0.656776
  H      -1.564039     -5.967341      2.620241
  H      -2.387018     -6.755498      1.240153
  C      -2.358934     -0.157688      1.359095
  C      -2.237439     -1.670597      1.539592
  C      -3.491214     -2.354842      2.120420
  C      -4.710900     -2.281460      1.173455
  N      -5.430477     -1.033903      1.305503
  C      -6.519557     -0.691556      0.546654
  C      -7.089398     -1.585087     -0.386593
  C      -8.207670     -1.194447     -1.123879
  C      -8.786322      0.064847     -0.973493
  C      -8.217520      0.956606     -0.048201
  S      -8.856459      2.593314      0.209815
  C      -7.102633      0.585804      0.700998
  C      -9.503845     -5.191402      5.416905
  C      -8.346683     -5.678273      4.544319
  C      -7.100548     -4.778174      4.619836
  C      -7.414435     -3.347791      4.116474
  N      -7.791732     -2.487153      5.219782
  C      -8.179896     -1.173756      5.108443
  C      -8.329591     -0.543640      3.854772
  C      -8.752610      0.784435      3.799059
  C      -9.020987      1.520446      4.952154
  C      -8.857227      0.898987      6.201413
  S      -9.162402      1.746886      7.730661
  C      -8.443260     -0.430687      6.280225
  C      -0.275063     -6.343245      7.656456
  C      -0.934342     -5.079633      7.096256
  C      -2.461244     -5.099961      6.825128
  C      -3.236767     -5.813309      7.948422
  N      -4.656585     -5.775643      7.636822
  C      -5.595401     -6.396271      8.446719
  C      -6.846941     -6.767830      7.908080
  C      -7.820913     -7.334125      8.721611
  C      -7.593375     -7.557759     10.082730
  C      -6.347562     -7.206859     10.618889
  S      -5.944535     -7.454709     12.328638
  C      -5.353948     -6.638066      9.811569
  H      -1.403529      0.272625      1.025865
  H      -2.628977      0.334738      2.307175
  H      -3.121217      0.107740      0.613291
  H      -1.396759     -1.895336      2.213146
  H      -1.995364     -2.132375      0.568832
  H      -3.767281     -1.811347      3.044072
  H      -4.387436     -2.413450      0.123206
  H      -5.372092     -3.135227      1.415004
  H      -5.119606     -0.371800      2.006451
  H      -6.666668     -2.578834     -0.527482
  H      -8.641422     -1.897168     -1.838516
  H      -9.655077      0.354524     -1.564942
  H      -9.987833      2.430248     -0.513007
  H      -6.673621      1.280285      1.427219
  H     -10.347178     -5.895165      5.368977
  H      -9.871557     -4.205760      5.099280
  H      -9.197815     -5.108592      6.471994
  H      -8.683924     -5.746551      3.497237
  H      -8.072443     -6.700081      4.850257
  H      -6.865633     -4.675432      5.701337
  H      -8.222514     -3.380362      3.361094
  H      -6.514594     -2.965324      3.600636
  H      -7.721085     -2.880968      6.151609
  H      -8.123741     -1.086287      2.932972
  H      -8.882269      1.258595      2.823967
  H      -9.351238      2.557385      4.884433
  H      -9.502639      2.933688      7.178405
  H      -8.320315     -0.911608      7.254613
  H      -0.391150     -7.213930      6.997625
  H      -0.681253     -6.614326      8.641595
  H       0.803681     -6.171981      7.786381
  H      -0.742340     -4.256144      7.804126
  H      -0.439890     -4.785737      6.157944
  H      -2.772378     -4.045729      6.870680
  H      -2.887996     -6.856182      8.079893
  H      -3.041154     -5.285361      8.895797
  H      -4.796654     -5.926215      6.631667
  H      -7.038340     -6.612549      6.845774
  H      -8.783496     -7.613968      8.288084
  H      -8.367308     -8.000652     10.709974
  H      -7.122583     -8.017131     12.682070
  H      -4.391106     -6.374320     10.249868
  N      -4.609997     -2.930600      5.619291
  H      -4.868991     -3.391822      6.500643
  H      -5.421862     -2.355793      5.370547
  H      -3.839418     -2.286061      5.837144
  N      -1.772208     -2.213147      5.115258
  N      -0.673737     -2.257271      4.933770
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5658515-4aaE/orca E -7240.578551528657
  N      -3.219164     -3.729791      2.543595
  C      -2.775464     -4.615453      1.467261
  C      -2.493003     -5.997559      2.038146
  N      -3.569318     -6.381768      2.982778
  C      -4.836218     -6.739103      2.292222
  C      -6.019774     -6.559620      3.231860
  N      -5.878278     -5.287832      3.953745
  Mo     -4.007598     -4.604031      4.155704
  N      -2.864578     -5.579251      5.492880
  C      -2.288690     -6.849259      5.051084
  C      -3.139760     -7.438959      3.933201
  H      -2.257893     -7.595457      5.867419
  H      -1.240469     -6.721333      4.712152
  H      -4.054247     -7.866865      4.367374
  H      -2.606690     -8.244886      3.396122
  H      -6.931476     -6.598304      2.610301
  H      -6.087131     -7.428339      3.921317
  H      -4.943102     -6.043336      1.448663
  H      -4.792794     -7.770375      1.893023
  H      -1.848556     -4.254109      0.985464
  H      -3.530337     -4.691546      0.655281
  H      -1.559875     -5.970813      2.617865
  H      -2.382616     -6.747104      1.230685
  C      -2.344466     -0.149388      1.367544
  C      -2.224596     -1.663000      1.545480
  C      -3.478926     -2.348980      2.122350
  C      -4.697136     -2.282177      1.172648
  N      -5.410857     -1.029764      1.287655
  C      -6.509460     -0.698495      0.538243
  C      -7.089056     -1.606242     -0.374714
  C      -8.216948     -1.227463     -1.103676
  C      -8.795027      0.032943     -0.964147
  C      -8.216938      0.938810     -0.058424
  S      -8.855064      2.577877      0.184795
  C      -7.092932      0.580179      0.683245
  C      -9.495548     -5.162887      5.411706
  C      -8.340621     -5.654521      4.538452
  C      -7.090651     -4.760749      4.616382
  C      -7.396534     -3.326835      4.117916
  N      -7.759567     -2.466093      5.225939
  C      -8.185865     -1.164466      5.114087
  C      -8.321480     -0.529222      3.861494
  C      -8.770673      0.790361      3.804857
  C      -9.081617      1.511631      4.956484
  C      -8.935026      0.884122      6.204829
  S      -9.295276      1.712863      7.732611
  C      -8.494783     -0.437021      6.284386
  C      -0.272543     -6.386273      7.641109
  C      -0.921213     -5.115655      7.085199
  C      -2.450096     -5.122501      6.820624
  C      -3.226396     -5.833940      7.943766
  N      -4.647989     -5.772934      7.643157
  C      -5.590302     -6.382328      8.459211
  C      -6.851021     -6.732240      7.927494
  C      -7.827662     -7.287525      8.745387
  C      -7.592747     -7.520976     10.103982
  C      -6.338307     -7.191209     10.632569
  S      -5.927645     -7.453927     12.338042
  C      -5.341943     -6.632965      9.820661
  H      -1.386700      0.280377      1.040091
  H      -2.617889      0.342558      2.314886
  H      -3.101665      0.118912      0.617655
  H      -1.386066     -1.888650      2.221217
  H      -1.979379     -2.122107      0.574242
  H      -3.759042     -1.805831      3.045254
  H      -4.371856     -2.435518      0.125911
  H      -5.363257     -3.127950      1.428823
  H      -5.089218     -0.355619      1.971899
  H      -6.665026     -2.600879     -0.506329
  H      -8.658738     -1.941039     -1.802486
  H      -9.671447      0.312240     -1.549245
  H      -9.999957      2.401902     -0.513495
  H      -6.658409      1.283471      1.397650
  H     -10.340846     -5.864371      5.367976
  H      -9.861556     -4.177157      5.091783
  H      -9.186860     -5.077135      6.465730
  H      -8.679238     -5.720891      3.491768
  H      -8.070575     -6.677676      4.844017
  H      -6.857310     -4.661402      5.698536
  H      -8.207994     -3.348521      3.365483
  H      -6.495371     -2.950161      3.601036
  H      -7.725941     -2.872995      6.154083
  H      -8.078541     -1.058406      2.941105
  H      -8.884647      1.269989      2.830489
  H      -9.431078      2.542246      4.888150
  H      -9.650445      2.895936      7.181678
  H      -8.384098     -0.922862      7.257845
  H      -0.397238     -7.254455      6.980487
  H      -0.679746     -6.656659      8.626024
  H       0.807897     -6.224951      7.770115
  H      -0.719382     -4.294829      7.793345
  H      -0.428677     -4.824364      6.145135
  H      -2.751408     -4.065709      6.869607
  H      -2.891952     -6.882455      8.066252
  H      -3.017481     -5.315709      8.893672
  H      -4.800688     -5.921337      6.639616
  H      -7.048025     -6.567813      6.867579
  H      -8.797300     -7.550691      8.317258
  H      -8.368518     -7.955233     10.735022
  H      -7.112771     -7.997140     12.697591
  H      -4.372290     -6.385187     10.253010
  N      -4.595199     -2.939624      5.631085
  H      -4.845940     -3.414537      6.507819
  H      -5.413839     -2.368436      5.394292
  H      -3.829063     -2.291724      5.855499
  N      -1.758609     -2.241699      5.121178
  N      -0.662067     -2.291876      4.929177
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5658515-4aaE/orca E -7240.578853196346
  N      -3.211403     -3.726294      2.549000
  C      -2.766343     -4.607105      1.468570
  C      -2.488711     -5.993080      2.032176
  N      -3.566952     -6.378066      2.973535
  C      -4.836576     -6.722258      2.282215
  C      -6.019558     -6.543759      3.223581
  N      -5.869931     -5.281642      3.958661
  Mo     -3.995505     -4.605497      4.160768
  N      -2.858845     -5.596546      5.491014
  C      -2.290264     -6.866808      5.039899
  C      -3.144962     -7.443490      3.918057
  H      -2.264732     -7.618294      5.851538
  H      -1.241330     -6.742325      4.702225
  H      -4.062406     -7.867975      4.349261
  H      -2.616631     -8.249683      3.376630
  H      -6.930570     -6.568370      2.599892
  H      -6.095516     -7.420032      3.902661
  H      -4.940449     -6.020602      1.443124
  H      -4.800814     -7.751038      1.875577
  H      -1.838019     -4.243941      0.990960
  H      -3.520302     -4.676952      0.655344
  H      -1.556019     -5.972780      2.612886
  H      -2.379771     -6.738815      1.220919
  C      -2.347892     -0.138517      1.384630
  C      -2.226574     -1.653371      1.553765
  C      -3.477251     -2.345519      2.130935
  C      -4.697999     -2.283691      1.183191
  N      -5.405841     -1.027137      1.286202
  C      -6.505505     -0.697204      0.538890
  C      -7.094170     -1.612232     -0.361239
  C      -8.224070     -1.235995     -1.088163
  C      -8.795454      0.028441     -0.958214
  C      -8.209127      0.940865     -0.064521
  S      -8.840790      2.583800      0.166450
  C      -7.081890      0.585865      0.674226
  C      -9.481923     -5.137090      5.422130
  C      -8.331524     -5.636038      4.547133
  C      -7.078184     -4.746966      4.620275
  C      -7.380008     -3.313170      4.118188
  N      -7.718260     -2.440935      5.225763
  C      -8.185447     -1.153713      5.103789
  C      -8.320347     -0.524953      3.847837
  C      -8.801178      0.783223      3.781486
  C      -9.145717      1.498731      4.927164
  C      -9.002474      0.876825      6.178738
  S      -9.407244      1.697999      7.699330
  C      -8.531332     -0.432968      6.267607
  C      -0.266403     -6.432471      7.626726
  C      -0.904350     -5.153891      7.077139
  C      -2.434146     -5.146996      6.818355
  C      -3.213477     -5.856982      7.941249
  N      -4.636327     -5.773982      7.650509
  C      -5.581407     -6.373663      8.471995
  C      -6.849753     -6.703340      7.945865
  C      -7.829336     -7.248824      8.766734
  C      -7.588543     -7.491845     10.122881
  C      -6.327102     -7.182117     10.645712
  S      -5.910208     -7.459988     12.346988
  C      -5.327492     -6.633363      9.830466
  H      -1.389814      0.293971      1.061658
  H      -2.623165      0.347998      2.334263
  H      -3.103307      0.133881      0.634518
  H      -1.386849     -1.881462      2.227206
  H      -1.981434     -2.105397      0.579158
  H      -3.759064     -1.805580      3.055418
  H      -4.374007     -2.453697      0.138887
  H      -5.366824     -3.122471      1.453861
  H      -5.074757     -0.346047      1.958971
  H      -6.673829     -2.609790     -0.483068
  H      -8.673138     -1.954391     -1.777352
  H      -9.674129      0.304992     -1.541216
  H      -9.987630      2.406374     -0.528485
  H      -6.640497      1.293488      1.380308
  H     -10.330125     -5.835317      5.384764
  H      -9.845753     -4.151379      5.098952
  H      -9.169223     -5.047903      6.474594
  H      -8.674427     -5.704499      3.502043
  H      -8.064156     -6.659304      4.855144
  H      -6.844290     -4.645786      5.702094
  H      -8.200387     -3.330720      3.375226
  H      -6.481585     -2.945864      3.591100
  H      -7.726265     -2.855208      6.151338
  H      -8.051254     -1.048952      2.931815
  H      -8.912704      1.258086      2.804503
  H      -9.519586      2.520242      4.851617
  H      -9.784079      2.870899      7.141183
  H      -8.422638     -0.914538      7.243449
  H      -0.399126     -7.296670      6.962425
  H      -0.675635     -6.703802      8.610524
  H       0.815540     -6.281755      7.756329
  H      -0.693601     -4.337273      7.787438
  H      -0.412839     -4.863473      6.136270
  H      -2.726633     -4.088152      6.872456
  H      -2.892602     -6.910635      8.054076
  H      -2.992517     -5.348888      8.893802
  H      -4.800062     -5.920845      6.648465
  H      -7.049907     -6.531091      6.887831
  H      -8.804664     -7.497090      8.342737
  H      -8.366068     -7.919074     10.756671
  H      -7.100946     -7.987889     12.710814
  H      -4.351859     -6.401349     10.257888
  N      -4.581069     -2.955707      5.649200
  H      -4.821481     -3.445442      6.521051
  H      -5.408324     -2.389342      5.427654
  H      -3.819926     -2.303252      5.878309
  N      -1.741114     -2.268946      5.131714
  N      -0.647280     -2.316433      4.922692
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5658515-4aaE/orca E -7240.579234925435
  N      -3.207017     -3.728321      2.551088
  C      -2.759414     -4.603786      1.466619
  C      -2.483276     -5.992481      2.025633
  N      -3.562230     -6.376069      2.966739
  C      -4.834705     -6.711239      2.276096
  C      -6.017218     -6.533560      3.220138
  N      -5.861464     -5.278585      3.964959
  Mo     -3.984727     -4.609349      4.166684
  N      -2.848074     -5.608975      5.491605
  C      -2.286573     -6.879837      5.032105
  C      -3.146506     -7.446553      3.908985
  H      -2.264007     -7.635770      5.839703
  H      -1.237499     -6.759131      4.693976
  H      -4.066482     -7.865789      4.339616
  H      -2.623543     -8.255785      3.366759
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  H      -6.099600     -7.415867      3.890491
  H      -4.937030     -6.006529      1.439467
  H      -4.805873     -7.738221      1.864169
  H      -1.831182     -4.236345      0.992336
  H      -3.512600     -4.669557      0.652555
  H      -1.550209     -5.975595      2.605856
  H      -2.375816     -6.737001      1.213312
  C      -2.365494     -0.130351      1.402710
  C      -2.240932     -1.646788      1.558216
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  C      -4.710616     -2.290915      1.196934
  N      -5.411062     -1.030044      1.292252
  C      -6.505821     -0.695974      0.541161
  C      -7.100731     -1.615339     -0.351693
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  C      -8.790804      0.031054     -0.961690
  C      -8.199405      0.946512     -0.074828
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  C      -7.072426      0.592486      0.665084
  C      -9.467836     -5.109109      5.430208
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  C      -7.064853     -4.734312      4.624006
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  N      -7.668520     -2.415405      5.226235
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  C      -8.823691      0.778001      3.764404
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  C      -0.259236     -6.472167      7.618676
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  C      -3.201426     -5.871218      7.942238
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  C      -7.585995     -7.464556     10.131782
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  C      -5.314614     -6.635263      9.836039
  H      -1.408092      0.307198      1.084862
  H      -2.643032      0.346531      2.356658
  H      -3.120772      0.146990      0.654449
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  H      -1.998249     -2.088197      0.578098
  H      -3.766183     -1.814578      3.067123
  H      -4.389882     -2.472073      0.153866
  H      -5.380891     -3.124244      1.480208
  H      -5.071216     -0.346272      1.957958
  H      -6.684843     -2.616227     -0.461241
  H      -8.681174     -1.958063     -1.766931
  H      -9.668958      0.307600     -1.545440
  H      -9.967976      2.414887     -0.558830
  H      -6.624960      1.302853      1.364663
  H     -10.323144     -5.798599      5.393176
  H      -9.823123     -4.119461      5.108567
  H      -9.153177     -5.025238      6.482478
  H      -8.669838     -5.684250      3.509308
  H      -8.061115     -6.641444      4.861514
  H      -6.832520     -4.632118      5.705908
  H      -8.194950     -3.314818      3.387731
  H      -6.469282     -2.943084      3.577992
  H      -7.736111     -2.841290      6.144685
  H      -8.022508     -1.036395      2.924599
  H      -8.935795      1.248994      2.785641
  H      -9.597087      2.497141      4.825323
  H      -9.900597      2.840014      7.109969
  H      -8.443917     -0.909625      7.231308
  H      -0.399008     -7.332132      6.950373
  H      -0.672186     -6.744039      8.600745
  H       0.823910     -6.332615      7.750833
  H      -0.668252     -4.373684      7.787921
  H      -0.393160     -4.896015      6.134109
  H      -2.700349     -4.104583      6.877304
  H      -2.892147     -6.928830      8.048742
  H      -2.972210     -5.369642      8.896187
  H      -4.793259     -5.915305      6.655346
  H      -7.047089     -6.489107      6.901427
  H      -8.810493     -7.441638      8.356524
  H      -8.366067     -7.886376     10.766260
  H      -7.093526     -7.989464     12.713475
  H      -4.333624     -6.421135     10.260345
  N      -4.568000     -2.972693      5.665036
  H      -4.798000     -3.471982      6.534208
  H      -5.403866     -2.410761      5.458584
  H      -3.810901     -2.315307      5.894419
  N      -1.732267     -2.301004      5.138929
  N      -0.641055     -2.337992      4.913007
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5658515-4aaE/orca E -7240.579592186105
  N      -3.202385     -3.730805      2.551897
  C      -2.755655     -4.602290      1.463621
  C      -2.481334     -5.993535      2.019092
  N      -3.560258     -6.373933      2.962049
  C      -4.835827     -6.701071      2.272445
  C      -6.016391     -6.521840      3.220225
  N      -5.852293     -5.271948      3.972107
  Mo     -3.973664     -4.612145      4.172316
  N      -2.836310     -5.620074      5.492421
  C      -2.283133     -6.891997      5.025181
  C      -3.149756     -7.449259      3.901765
  H      -2.262564     -7.652803      5.828325
  H      -1.234022     -6.776774      4.685370
  H      -4.071940     -7.862390      4.333308
  H      -2.633588     -8.262371      3.358780
  H      -6.928324     -6.529645      2.596898
  H      -6.103614     -7.408127      3.884358
  H      -4.936764     -5.994045      1.437769
  H      -4.813470     -7.726489      1.856378
  H      -1.827692     -4.233076      0.990343
  H      -3.508631     -4.664376      0.649313
  H      -1.547037     -5.980531      2.597423
  H      -2.377260     -6.737303      1.205974
  C      -2.372129     -0.126126      1.417751
  C      -2.250484     -1.644224      1.560308
  C      -3.488374     -2.352097      2.148483
  C      -4.721205     -2.293131      1.213713
  N      -5.413622     -1.027534      1.303296
  C      -6.506066     -0.691406      0.549750
  C      -7.107656     -1.614848     -0.335670
  C      -8.231753     -1.237684     -1.069019
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  C      -8.191188      0.954726     -0.078088
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  C      -7.064530      0.601262      0.662687
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  C      -8.313313     -5.596579      4.564676
  C      -7.050593     -4.718535      4.630599
  C      -7.347345     -3.287053      4.118515
  N      -7.617356     -2.386082      5.226706
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  C      -9.259911      1.468064      4.874022
  C      -9.114993      0.857149      6.130926
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  C      -2.396262     -5.183321      6.819545
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  N      -4.612057     -5.765319      7.661874
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  C      -6.308961     -7.175774     10.654747
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  H      -1.414535      0.312244      1.102065
  H      -2.647434      0.342190      2.376716
  H      -3.128457      0.158656      0.673438
  H      -1.402020     -1.882928      2.219667
  H      -2.015513     -2.077923      0.574867
  H      -3.766089     -1.821345      3.079458
  H      -4.407287     -2.481830      0.170042
  H      -5.393536     -3.121520      1.506564
  H      -5.064868     -0.341083      1.961669
  H      -6.696280     -2.618553     -0.435053
  H      -8.690576     -1.959259     -1.748340
  H      -9.665931      0.313237     -1.541753
  H      -9.946628      2.427534     -0.586471
  H      -6.611267      1.315084      1.354824
  H     -10.315115     -5.763456      5.403187
  H      -9.803263     -4.088792      5.118833
  H      -9.140964     -5.000424      6.494028
  H      -8.661828     -5.665293      3.521512
  H      -8.055099     -6.621544      4.875109
  H      -6.816545     -4.613691      5.711476
  H      -8.193167     -3.299912      3.404211
  H      -6.461276     -2.938659      3.561971
  H      -7.749629     -2.823701      6.133279
  H      -7.999071     -1.028700      2.913825
  H      -8.968564      1.231672      2.757200
  H      -9.685248      2.468183      4.786190
  H     -10.027744      2.807386      7.063889
  H      -8.464852     -0.898742      7.214756
  H      -0.399053     -7.368474      6.938909
  H      -0.668516     -6.785739      8.592180
  H       0.831880     -6.384301      7.745622
  H      -0.643528     -4.412035      7.790821
  H      -0.373259     -4.929515      6.134322
  H      -2.673759     -4.120972      6.883697
  H      -2.891562     -6.946216      8.042466
  H      -2.952643     -5.389884      8.898654
  H      -4.783579     -5.908132      6.660219
  H      -7.044659     -6.449397      6.913311
  H      -8.814966     -7.390962      8.369798
  H      -8.364189     -7.859872     10.773579
  H      -7.081178     -7.997587     12.713992
  H      -4.315721     -6.443246     10.259366
  N      -4.551583     -2.987549      5.680055
  H      -4.772587     -3.494045      6.547870
  H      -5.393947     -2.428032      5.487244
  H      -3.795993     -2.327509      5.907302
  N      -1.713159     -2.325256      5.145965
  N      -0.624848     -2.351779      4.903561
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5658515-4aaE/orca E -7240.579892615193
  N      -3.204895     -3.736141      2.553395
  C      -2.761161     -4.603572      1.461349
  C      -2.486449     -5.996898      2.013240
  N      -3.562633     -6.375549      2.960341
  C      -4.841777     -6.697844      2.273825
  C      -6.018963     -6.516194      3.226155
  N      -5.846692     -5.269274      3.982693
  Mo     -3.967153     -4.618729      4.178858
  N      -2.825142     -5.632970      5.492218
  C      -2.279047     -6.904891      5.017797
  C      -3.152912     -7.454726      3.896086
  H      -2.257456     -7.670415      5.816576
  H      -1.230809     -6.793458      4.673786
  H      -4.075538     -7.863599      4.330684
  H      -2.643221     -8.270176      3.350465
  H      -6.932892     -6.519034      2.605904
  H      -6.107517     -7.404466      3.887131
  H      -4.943412     -5.989717      1.440273
  H      -4.823608     -7.722460      1.855792
  H      -1.834011     -4.233277      0.987302
  H      -3.514887     -4.663098      0.647660
  H      -1.549772     -5.986770      2.587816
  H      -2.387201     -6.739721      1.198840
  C      -2.379323     -0.124342      1.440874
  C      -2.261559     -1.643905      1.569476
  C      -3.496531     -2.356768      2.159435
  C      -4.732800     -2.294095      1.230111
  N      -5.415771     -1.023080      1.315317
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  C      -7.107978     -1.599086     -0.331546
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  C      -8.168910      0.980662     -0.084888
  S      -8.782313      2.633338      0.124121
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  C      -9.445502     -5.053512      5.458541
  C      -8.308550     -5.580725      4.583542
  C      -7.041308     -4.707141      4.641441
  C      -7.337579     -3.277645      4.123117
  N      -7.574493     -2.361560      5.230518
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  C      -8.307792     -0.519227      3.803864
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  C      -9.327174      1.442284      4.829235
  C      -9.184267      0.842929      6.091870
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  C      -3.171984     -5.900179      7.943407
  N      -4.594447     -5.769833      7.668598
  C      -5.546219     -6.349627      8.496014
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  C      -7.824279     -7.136956      8.811087
  C      -7.569860     -7.421543     10.156220
  C      -6.287806     -7.179969     10.663432
  S      -5.850037     -7.516698     12.348577
  C      -5.278883     -6.654656      9.843060
  H      -1.420358      0.314252      1.129948
  H      -2.654043      0.334808      2.404496
  H      -3.134630      0.169303      0.698981
  H      -1.409479     -1.890285      2.221577
  H      -2.033507     -2.070655      0.579379
  H      -3.771392     -1.831064      3.093884
  H      -4.424142     -2.486779      0.185572
  H      -5.409250     -3.117777      1.527040
  H      -5.061279     -0.337014      1.970912
  H      -6.705713     -2.606855     -0.425644
  H      -8.687381     -1.931926     -1.751053
  H      -9.643636      0.349802     -1.552668
  H      -9.900492      2.471171     -0.619331
  H      -6.591740      1.330511      1.352785
  H     -10.311935     -5.729158      5.421620
  H      -9.787809     -4.060224      5.133028
  H      -9.132995     -4.973812      6.512085
  H      -8.658609     -5.653032      3.541190
  H      -8.054747     -6.605244      4.898669
  H      -6.803246     -4.597815      5.720505
  H      -8.197679     -3.290710      3.425623
  H      -6.460760     -2.938653      3.548091
  H      -7.773887     -2.809955      6.120545
  H      -7.972231     -1.030899      2.902801
  H      -8.998070      1.202280      2.718037
  H      -9.778437      2.429864      4.729540
  H     -10.173293      2.768144      6.996836
  H      -8.499800     -0.888260      7.194360
  H      -0.388815     -7.396517      6.919763
  H      -0.651578     -6.821074      8.577145
  H       0.847894     -6.421276      7.728162
  H      -0.619263     -4.443850      7.787618
  H      -0.356495     -4.954573      6.127755
  H      -2.650895     -4.138253      6.886806
  H      -2.880192     -6.964319      8.036025
  H      -2.926778     -5.410094      8.899175
  H      -4.770426     -5.909547      6.667146
  H      -7.042068     -6.409379      6.935371
  H      -8.816208     -7.334805      8.399320
  H      -8.353377     -7.830854     10.794680
  H      -7.053031     -8.009126     12.722633
  H      -4.286195     -6.478419     10.257555
  N      -4.537062     -3.001400      5.693280
  H      -4.748825     -3.509912      6.562466
  H      -5.384839     -2.444970      5.509864
  H      -3.781834     -2.339078      5.915187
  N      -1.711456     -2.356389      5.152239
  N      -0.626407     -2.370544      4.894313
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5658515-4aaE/orca E -7240.580095173719
  N      -3.206168     -3.737355      2.556380
  C      -2.769706     -4.603256      1.461507
  C      -2.499713     -5.999283      2.008900
  N      -3.574018     -6.375043      2.959633
  C      -4.857055     -6.689573      2.275970
  C      -6.029049     -6.503101      3.232909
  N      -5.844621     -5.259524      3.993614
  Mo     -3.963002     -4.621515      4.184344
  N      -2.818449     -5.646315      5.489335
  C      -2.282634     -6.919271      5.007832
  C      -3.165665     -7.460069      3.888746
  H      -2.260543     -7.689356      5.802406
  H      -1.235463     -6.813574      4.658102
  H      -4.088624     -7.863971      4.327566
  H      -2.664817     -8.277069      3.337295
  H      -6.945814     -6.498131      2.617207
  H      -6.119629     -7.392147      3.892443
  H      -4.957645     -5.978600      1.444722
  H      -4.843796     -7.713179      1.855649
  H      -1.841614     -4.236879      0.985785
  H      -3.524582     -4.658390      0.648436
  H      -1.560690     -5.995566      2.579707
  H      -2.408017     -6.740101      1.191694
  C      -2.363029     -0.125078      1.461103
  C      -2.256568     -1.646101      1.578991
  C      -3.494391     -2.355284      2.168731
  C      -4.731907     -2.285468      1.243468
  N      -5.405522     -1.008737      1.325358
  C      -6.489855     -0.662312      0.562670
  C      -7.101475     -1.581168     -0.320464
  C      -8.215785     -1.191687     -1.061742
  C      -8.753904      0.091564     -0.961930
  C      -8.145729      1.006496     -0.086666
  S      -8.748051      2.664747      0.115666
  C      -7.029727      0.638895      0.663039
  C      -9.438386     -5.033498      5.485971
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  C      -7.335259     -3.265832      4.131474
  N      -7.547017     -2.334407      5.235847
  C      -8.175186     -1.109906      5.051245
  C      -8.308850     -0.522171      3.779191
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  C      -9.403029      1.416603      4.768352
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  C      -0.835090     -5.276775      7.055851
  C      -2.363495     -5.222803      6.814671
  C      -3.153929     -5.919814      7.940898
  N      -4.576983     -5.777220      7.675478
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  C      -6.257380     -7.188149     10.676311
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  C      -5.251774     -6.669322      9.848803
  H      -1.400362      0.308390      1.154456
  H      -2.635120      0.328748      2.428012
  H      -3.114980      0.179806      0.720320
  H      -1.403218     -1.902823      2.225257
  H      -2.036851     -2.070358      0.585876
  H      -3.764573     -1.831286      3.105397
  H      -4.430416     -2.481766      0.197220
  H      -5.415184     -3.103604      1.541592
  H      -5.045681     -0.320974      1.976170
  H      -6.707156     -2.592287     -0.411930
  H      -8.682461     -1.910427     -1.738618
  H      -9.624548      0.378845     -1.551626
  H      -9.858510      2.512081     -0.641007
  H      -6.569364      1.352171      1.350878
  H     -10.305221     -5.708959      5.454382
  H      -9.782931     -4.042615      5.155364
  H      -9.124607     -4.948392      6.538743
  H      -8.657524     -5.644804      3.569657
  H      -8.049366     -6.588841      4.931054
  H      -6.789947     -4.578039      5.732767
  H      -8.208008     -3.281927      3.449536
  H      -6.468460     -2.935494      3.537951
  H      -7.807124     -2.790256      6.107660
  H      -7.939606     -1.031011      2.889891
  H      -9.021172      1.173133      2.666628
  H      -9.878248      2.391116      4.652162
  H     -10.351514      2.723802      6.903690
  H      -8.562394     -0.873976      7.166407
  H      -0.382652     -7.428423      6.893116
  H      -0.634963     -6.861864      8.555545
  H       0.861719     -6.462354      7.700831
  H      -0.594942     -4.480246      7.779627
  H      -0.343627     -4.982689      6.115748
  H      -2.629272     -4.157573      6.888027
  H      -2.869727     -6.986973      8.024687
  H      -2.898106     -5.437307      8.897759
  H      -4.758875     -5.910850      6.674412
  H      -7.041549     -6.382960      6.961858
  H      -8.810692     -7.298393      8.438925
  H      -8.329879     -7.815800     10.825289
  H      -7.008487     -8.023377     12.738993
  H      -4.252910     -6.507221     10.254373
  N      -4.523971     -3.010181      5.707907
  H      -4.726498     -3.521218      6.578367
  H      -5.375440     -2.455515      5.532790
  H      -3.766949     -2.348344      5.924418
  N      -1.688435     -2.368640      5.163215
  N      -0.606922     -2.378248      4.890295
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5658515-4aaE/orca E -7240.580187250544
  N      -3.240166     -3.743126      2.565926
  C      -2.809725     -4.604644      1.466661
  C      -2.529042     -6.001027      2.008634
  N      -3.592485     -6.384686      2.968509
  C      -4.879271     -6.707435      2.294148
  C      -6.045018     -6.523410      3.258484
  N      -5.859879     -5.276195      4.015805
  Mo     -3.981258     -4.636219      4.195928
  N      -2.817174     -5.657416      5.487308
  C      -2.278712     -6.925980      5.000849
  C      -3.168510     -7.469837      3.889735
  H      -2.244031     -7.697521      5.793633
  H      -1.235619     -6.814149      4.640470
  H      -4.084852     -7.879936      4.336846
  H      -2.668794     -8.281887      3.330125
  H      -6.966409     -6.523829      2.650211
  H      -6.124697     -7.409914      3.922676
  H      -4.989117     -5.998325      1.462402
  H      -4.861373     -7.731909      1.876466
  H      -1.885804     -4.235277      0.984772
  H      -3.569506     -4.661561      0.658022
  H      -1.584869     -5.994518      2.570879
  H      -2.442451     -6.739156      1.188333
  C      -2.384523     -0.124518      1.505914
  C      -2.281000     -1.646446      1.610398
  C      -3.523426     -2.358577      2.187229
  C      -4.754245     -2.277031      1.256080
  N      -5.420346     -0.996519      1.342227
  C      -6.475601     -0.624166      0.551167
  C      -7.074562     -1.519092     -0.363536
  C      -8.159202     -1.099678     -1.132624
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  S      -8.662515      2.748430      0.086574
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  C      -9.450979     -5.052226      5.522022
  C      -8.317620     -5.589631      4.648177
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  C      -7.363130     -3.289709      4.137594
  N      -7.579450     -2.342979      5.232334
  C      -8.203901     -1.114552      5.024584
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  C      -9.313547      0.836822      5.973684
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  C      -0.824981     -5.273022      7.036512
  C      -2.356715     -5.233722      6.809917
  C      -3.127586     -5.941287      7.940531
  N      -4.553843     -5.813249      7.689016
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  C      -7.498917     -7.424524     10.241758
  C      -6.194589     -7.222650     10.710818
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  C      -5.198851     -6.713176      9.866959
  H      -1.418791      0.309852      1.210084
  H      -2.662111      0.320428      2.475298
  H      -3.130750      0.189412      0.763140
  H      -1.430074     -1.910625      2.256550
  H      -2.060157     -2.064554      0.614872
  H      -3.797089     -1.842064      3.127055
  H      -4.446458     -2.461828      0.209525
  H      -5.444751     -3.094412      1.539398
  H      -5.072337     -0.321331      2.012209
  H      -6.698507     -2.536761     -0.459061
  H      -8.616548     -1.801716     -1.832988
  H      -9.527439      0.500501     -1.641818
  H      -9.739936      2.634934     -0.722764
  H      -6.545216      1.382216      1.362210
  H     -10.315585     -5.730902      5.498657
  H      -9.800566     -4.066019      5.182793
  H      -9.135060     -4.956015      6.573222
  H      -8.673385     -5.680961      3.609316
  H      -8.056600     -6.607157      4.978972
  H      -6.801175     -4.579768      5.751508
  H      -8.239716     -3.320577      3.460947
  H      -6.502826     -2.960744      3.534355
  H      -7.857920     -2.790737      6.103802
  H      -7.941845     -1.065668      2.867054
  H      -9.025752      1.133946      2.600834
  H      -9.906942      2.376680      4.559591
  H     -10.425254      2.729886      6.797309
  H      -8.616975     -0.852045      7.131635
  H      -0.350222     -7.418230      6.854341
  H      -0.589487     -6.866020      8.523652
  H       0.892081     -6.442253      7.653581
  H      -0.585353     -4.478874      7.763212
  H      -0.345914     -4.967350      6.093700
  H      -2.631335     -4.170878      6.886980
  H      -2.831000     -7.005750      8.018423
  H      -2.866244     -5.459229      8.896143
  H      -4.746409     -5.945358      6.689648
  H      -7.042453     -6.377694      7.019893
  H      -8.792868     -7.279497      8.525706
  H      -8.273645     -7.821353     10.898120
  H      -6.913227     -8.069062     12.781109
  H      -4.189596     -6.571284     10.253962
  N      -4.536106     -3.018824      5.719391
  H      -4.730053     -3.519133      6.597468
  H      -5.391188     -2.471462      5.540249
  H      -3.779542     -2.352759      5.923235
  N      -1.722499     -2.376966      5.176807
  N      -0.643283     -2.371629      4.895565
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5658515-4aaE/orca E -7240.580258702078
  N      -3.229496     -3.732161      2.570926
  C      -2.803087     -4.596699      1.472165
  C      -2.537418     -5.996165      2.009419
  N      -3.606628     -6.376714      2.963446
  C      -4.894656     -6.683203      2.285914
  C      -6.059010     -6.495494      3.249407
  N      -5.862200     -5.257343      4.017063
  Mo     -3.978244     -4.626720      4.195095
  N      -2.825137     -5.665030      5.481346
  C      -2.297627     -6.937149      4.991095
  C      -3.192287     -7.470221      3.878346
  H      -2.269688     -7.709679      5.783088
  H      -1.253988     -6.831861      4.630301
  H      -4.111607     -7.875143      4.324467
  H      -2.699890     -8.281879      3.311763
  H      -6.979457     -6.478518      2.639861
  H      -6.149137     -7.385775      3.907553
  H      -4.996696     -5.966515      1.459470
  H      -4.884133     -7.705350      1.862204
  H      -1.873857     -4.235829      0.993688
  H      -3.561473     -4.645937      0.661530
  H      -1.595196     -6.000584      2.574851
  H      -2.454983     -6.730582      1.184797
  C      -2.330832     -0.122785      1.510836
  C      -2.242802     -1.645699      1.616011
  C      -3.496405     -2.343643      2.184579
  C      -4.719471     -2.260510      1.245181
  N      -5.380914     -0.976477      1.319702
  C      -6.454628     -0.620639      0.546111
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  C      -8.167689     -1.128289     -1.096927
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  C      -8.088455      1.066286     -0.116462
  S      -8.674563      2.730164      0.088025
  C      -6.985190      0.685186      0.645118
  C      -9.442563     -5.033006      5.549225
  C      -8.314941     -5.573672      4.669515
  C      -7.053946     -4.690937      4.687459
  C      -7.365439     -3.272169      4.147969
  N      -7.585493     -2.326520      5.241830
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  C      -9.470940      1.397479      4.663073
  C      -9.382687      0.827646      5.943694
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  C      -3.119011     -5.959882      7.933628
  N      -4.546804     -5.816828      7.694878
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  C      -7.775208     -7.114610      8.921919
  C      -7.486383     -7.429393     10.253681
  C      -6.180727     -7.228657     10.719111
  S      -5.697809     -7.602183     12.384711
  C      -5.187211     -6.718132      9.873274
  H      -1.358512      0.301808      1.221731
  H      -2.609279      0.326846      2.477761
  H      -3.067269      0.199522      0.761934
  H      -1.398809     -1.917483      2.267352
  H      -2.020520     -2.066540      0.621948
  H      -3.772253     -1.821688      3.121064
  H      -4.409849     -2.460975      0.201814
  H      -5.417774     -3.068967      1.532341
  H      -5.025197     -0.290413      1.974299
  H      -6.681924     -2.546411     -0.440315
  H      -8.632870     -1.843577     -1.778572
  H      -9.557824      0.453494     -1.598430
  H      -9.770782      2.602828     -0.693851
  H      -6.528319      1.393438      1.340831
  H     -10.301479     -5.719061      5.546726
  H      -9.804751     -4.054684      5.200102
  H      -9.113865     -4.917290      6.594779
  H      -8.679328     -5.672913      3.634478
  H      -8.048699     -6.587969      5.006315
  H      -6.792736     -4.561624      5.758265
  H      -8.242540     -3.301326      3.471501
  H      -6.505331     -2.944062      3.544215
  H      -7.878364     -2.777494      6.106070
  H      -7.899480     -1.048299      2.872166
  H      -9.003108      1.139522      2.581613
  H      -9.950519      2.366066      4.517582
  H     -10.556577      2.695447      6.740154
  H      -8.703811     -0.857047      7.116972
  H      -0.355204     -7.439492      6.833169
  H      -0.584144     -6.889355      8.503880
  H       0.894273     -6.467665      7.626896
  H      -0.573371     -4.499823      7.746006
  H      -0.347071     -4.986994      6.074667
  H      -2.623402     -4.183554      6.883284
  H      -2.832477     -7.027590      8.002257
  H      -2.845254     -5.489623      8.891919
  H      -4.750365     -5.940036      6.697104
  H      -7.042417     -6.370992      7.033618
  H      -8.786158     -7.277355      8.541880
  H      -8.259748     -7.826202     10.911593
  H      -6.899039     -8.073037     12.790041
  H      -4.176844     -6.575365     10.256850
  N      -4.536589     -3.014368      5.727332
  H      -4.724234     -3.523679      6.602054
  H      -5.394147     -2.470420      5.552653
  H      -3.781717     -2.347790      5.934852
  N      -1.712941     -2.385440      5.179686
  N      -0.634105     -2.401818      4.897590
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5658515-4aaE/orca E -7240.580306482471
  N      -3.241022     -3.735183      2.565155
  C      -2.812227     -4.603349      1.469749
  C      -2.541460     -5.999758      2.013558
  N      -3.610345     -6.379112      2.969425
  C      -4.896107     -6.695315      2.290813
  C      -6.062112     -6.509013      3.252815
  N      -5.871392     -5.265235      4.013890
  Mo     -3.991360     -4.625525      4.191483
  N      -2.829651     -5.650302      5.483226
  C      -2.297879     -6.923572      4.999553
  C      -3.191840     -7.466413      3.890738
  H      -2.265685     -7.691639      5.795655
  H      -1.254944     -6.816874      4.637267
  H      -4.109533     -7.871377      4.340017
  H      -2.697489     -8.280230      3.329039
  H      -6.983191     -6.500440      2.644052
  H      -6.147609     -7.395888      3.915894
  H      -4.999767     -5.982563      1.461258
  H      -4.880088     -7.719017      1.871296
  H      -1.884417     -4.241351      0.989419
  H      -3.570342     -4.658452      0.659169
  H      -1.599460     -5.997828      2.579239
  H      -2.456139     -6.738179      1.193038
  C      -2.334504     -0.130222      1.501525
  C      -2.250517     -1.653424      1.605500
  C      -3.505561     -2.347791      2.176027
  C      -4.728114     -2.261952      1.235368
  N      -5.392752     -0.979903      1.319303
  C      -6.456578     -0.617171      0.535271
  C      -7.054098     -1.520375     -0.371163
  C      -8.148731     -1.112492     -1.133558
  C      -8.680212      0.172083     -1.031200
  C      -8.084964      1.072907     -0.131730
  S      -8.679982      2.731722      0.084911
  C      -6.989053      0.687231      0.638215
  C      -9.446510     -5.066466      5.560006
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  C      -7.386061     -3.291361      4.148586
  N      -7.601751     -2.347247      5.245001
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  C      -9.328348      0.839421      5.971549
  S      -9.946828      1.650044      7.423725
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  C      -0.197980     -6.564549      7.528592
  C      -0.831920     -5.263522      7.027092
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  C      -6.803291     -6.628520      8.058652
  C      -7.772727     -7.152339      8.904765
  C      -7.486775     -7.458890     10.239112
  C      -6.187157     -7.237566     10.712010
  S      -5.707643     -7.599500     12.381445
  C      -5.196831     -6.714128      9.870169
  H      -1.361437      0.292635      1.212595
  H      -2.612158      0.318716      2.469031
  H      -3.070892      0.194201      0.753522
  H      -1.406689     -1.928283      2.255824
  H      -2.030257     -2.074146      0.610929
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  H      -4.418407     -2.451374      0.190050
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  H      -5.045566     -0.300901      1.985932
  H      -6.670286     -2.534768     -0.470745
  H      -8.604310     -1.822015     -1.827605
  H      -9.536421      0.471639     -1.635756
  H      -9.765304      2.608864     -0.712767
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  H     -10.300304     -5.758970      5.560845
  H      -9.817626     -4.090994      5.212316
  H      -9.114875     -4.948632      6.604123
  H      -8.686573     -5.701055      3.642521
  H      -8.043468     -6.610902      5.012211
  H      -6.798726     -4.575813      5.758142
  H      -8.266872     -3.325912      3.477187
  H      -6.531242     -2.958407      3.540145
  H      -7.890846     -2.795486      6.111992
  H      -7.913763     -1.056946      2.879479
  H      -8.980437      1.152203      2.606108
  H      -9.882876      2.391527      4.555074
  H     -10.458175      2.726706      6.784731
  H      -8.668580     -0.860413      7.133723
  H      -0.355708     -7.408677      6.844313
  H      -0.588941     -6.856760      8.513899
  H       0.888244     -6.429511      7.637739
  H      -0.591113     -4.468954      7.752846
  H      -0.357276     -4.957032      6.082514
  H      -2.640834     -4.164986      6.883894
  H      -2.833256     -7.006487      8.011606
  H      -2.862213     -5.465491      8.895889
  H      -4.749649     -5.933966      6.694032
  H      -7.040566     -6.402523      7.018378
  H      -8.779028     -7.331091      8.519593
  H      -8.258015     -7.865428     10.893653
  H      -6.904043     -8.086957     12.781601
  H      -4.190522     -6.555154     10.258183
  N      -4.559059     -3.005266      5.714954
  H      -4.747025     -3.503352      6.594924
  H      -5.415670     -2.462166      5.533256
  H      -3.803584     -2.337076      5.914251
  N      -1.710204     -2.342063      5.180402
  N      -0.629422     -2.350306      4.904939
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5658515-4aaE/orca E -7240.580357646806
  N      -3.258075     -3.738080      2.571913
  C      -2.829671     -4.603184      1.473261
  C      -2.552808     -5.999729      2.014281
  N      -3.617583     -6.382791      2.972893
  C      -4.904544     -6.701770      2.297783
  C      -6.070239     -6.519108      3.261755
  N      -5.881493     -5.276397      4.024842
  Mo     -4.002515     -4.631713      4.198683
  N      -2.831028     -5.652559      5.484142
  C      -2.297266     -6.924364      4.998515
  C      -3.193680     -7.469145      3.893082
  H      -2.260440     -7.691420      5.795264
  H      -1.256026     -6.814518      4.632771
  H      -4.108877     -7.876450      4.345013
  H      -2.698787     -8.281757      3.330131
  H      -6.991548     -6.510471      2.653072
  H      -6.154803     -7.407764      3.922348
  H      -5.011835     -5.989672      1.468178
  H      -4.888017     -7.725349      1.877798
  H      -1.904717     -4.236689      0.991204
  H      -3.590550     -4.658172      0.665438
  H      -1.609078     -5.995669      2.577029
  H      -2.467572     -6.737222      1.193069
  C      -2.350805     -0.128196      1.527656
  C      -2.266715     -1.652243      1.621693
  C      -3.521943     -2.350294      2.186950
  C      -4.741401     -2.260101      1.241764
  N      -5.403279     -0.977063      1.327517
  C      -6.451822     -0.600001      0.530615
  C      -7.042403     -1.492195     -0.391841
  C      -8.122110     -1.070338     -1.167548
  C      -8.646124      0.217253     -1.061951
  C      -8.058277      1.106425     -0.146414
  S      -8.647020      2.766020      0.076701
  C      -6.975201      0.707928      0.635321
  C      -9.455254     -5.075595      5.569603
  C      -8.327516     -5.608877      4.685872
  C      -7.074009     -4.714862      4.694484
  C      -7.397903     -3.303257      4.144701
  N      -7.612126     -2.352528      5.234495
  C      -8.223860     -1.121920      5.013179
  C      -8.317630     -0.555550      3.728197
  C      -8.917071      0.695507      3.570374
  C      -9.423155      1.406698      4.656546
  C      -9.329146      0.842359      5.939156
  S      -9.940465      1.666193      7.386699
  C      -8.738094     -0.409963      6.114495
  C      -0.187054     -6.558648      7.514931
  C      -0.827850     -5.258945      7.019051
  C      -2.362674     -5.229413      6.805035
  C      -3.118090     -5.949149      7.939370
  N      -4.546738     -5.822744      7.702344
  C      -5.480433     -6.398121      8.550598
  C      -6.794065     -6.628410      8.086029
  C      -7.758315     -7.151232      8.938656
  C      -7.460328     -7.466910     10.268421
  C      -6.155335     -7.256007     10.730100
  S      -5.661292     -7.631602     12.392294
  C      -5.169896     -6.733327      9.881478
  H      -1.377344      0.296839      1.243354
  H      -2.630359      0.314171      2.497633
  H      -3.086201      0.201199      0.780855
  H      -1.424045     -1.931595      2.271763
  H      -2.044219     -2.064758      0.624237
  H      -3.799959     -1.830079      3.123629
  H      -4.423955     -2.445872      0.198475
  H      -5.441028     -3.072671      1.514855
  H      -5.060875     -0.305670      2.004327
  H      -6.664117     -2.508603     -0.491987
  H      -8.571966     -1.770500     -1.874702
  H      -9.491600      0.527373     -1.676237
  H      -9.721473      2.656177     -0.737507
  H      -6.529658      1.402523      1.351716
  H     -10.308186     -5.769105      5.574751
  H      -9.827920     -4.101729      5.218915
  H      -9.121744     -4.953855      6.612459
  H      -8.697796     -5.715811      3.653778
  H      -8.050411     -6.619601      5.025036
  H      -6.810663     -4.576584      5.763471
  H      -8.278117     -3.342293      3.472584
  H      -6.542159     -2.971818      3.536672
  H      -7.903153     -2.793162      6.104223
  H      -7.927285     -1.081979      2.858341
  H      -8.993246      1.125471      2.570048
  H      -9.886175      2.383329      4.511371
  H     -10.447383      2.741276      6.741621
  H      -8.670732     -0.849594      7.113441
  H      -0.345151     -7.401834      6.829583
  H      -0.572781     -6.854386      8.501251
  H       0.899236     -6.420833      7.620045
  H      -0.588020     -4.464735      7.745472
  H      -0.358951     -4.948704      6.072817
  H      -2.643058     -4.168676      6.885933
  H      -2.818299     -7.012999      8.009435
  H      -2.849479     -5.473985      8.896665
  H      -4.747212     -5.946011      6.703291
  H      -7.039404     -6.396756      7.049186
  H      -8.768871     -7.323128      8.561664
  H      -8.227122     -7.873813     10.928061
  H      -6.856700     -8.114449     12.801032
  H      -4.158628     -6.583660     10.259999
  N      -4.570401     -3.010464      5.721674
  H      -4.752350     -3.505804      6.604323
  H      -5.431330     -2.473024      5.542071
  H      -3.817977     -2.337070      5.915183
  N      -1.737470     -2.345097      5.186199
  N      -0.657099     -2.346599      4.908956
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5658515-4aaE/orca E -7240.580392128075
  N      -3.267356     -3.739780      2.576256
  C      -2.842419     -4.605087      1.475855
  C      -2.565758     -6.002189      2.015257
  N      -3.628761     -6.384737      2.976131
  C      -4.917092     -6.702900      2.303719
  C      -6.080980     -6.520766      3.270198
  N      -5.889653     -5.279890      4.035788
  Mo     -4.010334     -4.633303      4.203093
  N      -2.831538     -5.652424      5.482942
  C      -2.301152     -6.925795      4.996569
  C      -3.203075     -7.470949      3.895694
  H      -2.261711     -7.691252      5.794617
  H      -1.261427     -6.817458      4.626251
  H      -4.117087     -7.876274      4.351758
  H      -2.711714     -8.284903      3.331571
  H      -7.003106     -6.508963      2.662748
  H      -6.166439     -7.410911      3.928542
  H      -5.025727     -5.990343      1.474714
  H      -4.902039     -7.726189      1.882915
  H      -1.918411     -4.238928      0.991932
  H      -3.605518     -4.658197      0.670126
  H      -1.620678     -5.999348      2.575683
  H      -2.482990     -6.739289      1.193474
  C      -2.341586     -0.131657      1.544402
  C      -2.265889     -1.656737      1.629347
  C      -3.524621     -2.350376      2.192234
  C      -4.741233     -2.254005      1.243995
  N      -5.399455     -0.969228      1.331991
  C      -6.441451     -0.585249      0.529526
  C      -7.026867     -1.471924     -0.401746
  C      -8.099516     -1.044143     -1.183888
  C      -8.621478      0.244188     -1.076141
  C      -8.039428      1.127436     -0.151396
  S      -8.626610      2.786862      0.075166
  C      -6.963055      0.723099      0.636791
  C      -9.454790     -5.080468      5.599643
  C      -8.330716     -5.616412      4.712635
  C      -7.080985     -4.717308      4.706938
  C      -7.414249     -3.310776      4.148607
  N      -7.626923     -2.352108      5.231995
  C      -8.239683     -1.123837      5.000365
  C      -8.329835     -0.565765      3.711384
  C      -8.929343      0.684037      3.543777
  C      -9.439322      1.402070      4.623624
  C      -9.349364      0.846018      5.910001
  S      -9.964969      1.678736      7.350491
  C      -8.758321     -0.404909      6.095247
  C      -0.175582     -6.554530      7.501352
  C      -0.821626     -5.256128      7.009011
  C      -2.357444     -5.230131      6.802023
  C      -3.106523     -5.953722      7.938077
  N      -4.536410     -5.827542      7.707376
  C      -5.466824     -6.407013      8.556158
  C      -6.782229     -6.632838      8.094736
  C      -7.744361     -7.158731      8.947894
  C      -7.442092     -7.480949     10.274952
  C      -6.135636     -7.273482     10.733757
  S      -5.637636     -7.655888     12.393004
  C      -5.151968     -6.748489      9.884410
  H      -1.366119      0.289773      1.261624
  H      -2.617659      0.306543      2.517272
  H      -3.076044      0.206325      0.800459
  H      -1.424244     -1.944718      2.276929
  H      -2.046568     -2.063948      0.629064
  H      -3.802264     -1.830097      3.128856
  H      -4.420629     -2.437230      0.201324
  H      -5.444027     -3.065384      1.512460
  H      -5.059225     -0.302516      2.014539
  H      -6.649463     -2.488401     -0.504077
  H      -8.544762     -1.739774     -1.898377
  H      -9.461130      0.559215     -1.695911
  H      -9.689629      2.686034     -0.755086
  H      -6.521738      1.412877      1.360228
  H     -10.303694     -5.778654      5.619089
  H      -9.835942     -4.112540      5.241587
  H      -9.113512     -4.945791      6.638693
  H      -8.707821     -5.733501      3.684173
  H      -8.047233     -6.623189      5.058274
  H      -6.812516     -4.570358      5.773291
  H      -8.297132     -3.358345      3.480550
  H      -6.562154     -2.979614      3.535194
  H      -7.923037     -2.786862      6.103260
  H      -7.936383     -1.097195      2.846022
  H      -9.002857      1.107916      2.540690
  H      -9.902180      2.377538      4.470404
  H     -10.476801      2.746306      6.696872
  H      -8.694813     -0.837909      7.097179
  H      -0.335164     -7.397817      6.816496
  H      -0.555955     -6.851647      8.489361
  H       0.910918     -6.414724      7.601574
  H      -0.580851     -4.461634      7.734780
  H      -0.357778     -4.944442      6.060755
  H      -2.640673     -4.170284      6.885712
  H      -2.805633     -7.017556      8.003815
  H      -2.833742     -5.481249      8.895534
  H      -4.740273     -5.946106      6.708567
  H      -7.031020     -6.394613      7.060177
  H      -8.756385     -7.327253      8.573377
  H      -8.207287     -7.889983     10.935184
  H      -6.833873     -8.134577     12.804226
  H      -4.139386     -6.600875     10.260082
  N      -4.577736     -3.010341      5.725562
  H      -4.753053     -3.502445      6.611439
  H      -5.441775     -2.476691      5.548370
  H      -3.826291     -2.333914      5.911560
  N      -1.755572     -2.344631      5.185886
  N      -0.675297     -2.345996      4.908384
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5658515-4aaE/orca E -7240.580427909294
  N      -3.283176     -3.742085      2.582009
  C      -2.860603     -4.607940      1.480293
  C      -2.584537     -6.005512      2.018197
  N      -3.646251     -6.387913      2.980525
  C      -4.935662     -6.704251      2.310172
  C      -6.098563     -6.522704      3.278151
  N      -5.903425     -5.286410      4.049868
  Mo     -4.023989     -4.635278      4.208469
  N      -2.837878     -5.652291      5.482120
  C      -2.311387     -6.927833      4.995589
  C      -3.219470     -7.473704      3.899881
  H      -2.269178     -7.690932      5.795655
  H      -1.273394     -6.821517      4.620054
  H      -4.132507     -7.875988      4.360571
  H      -2.732359     -8.289622      3.334887
  H      -7.020626     -6.504233      2.670605
  H      -6.187581     -7.415912      3.931736
  H      -5.044946     -5.990865      1.481962
  H      -4.922246     -7.727032      1.887989
  H      -1.937193     -4.241980      0.995327
  H      -3.625278     -4.659099      0.676134
  H      -1.638473     -6.003855      2.576910
  H      -2.503390     -6.741946      1.195624
  C      -2.323856     -0.137360      1.572233
  C      -2.262588     -1.663931      1.642176
  C      -3.528588     -2.349846      2.198213
  C      -4.738565     -2.244376      1.242699
  N      -5.389865     -0.956145      1.329448
  C      -6.422626     -0.562643      0.519468
  C      -7.000498     -1.440120     -0.425324
  C      -8.063737     -1.003105     -1.215042
  C      -8.583489      0.285793     -1.101865
  C      -8.009196      1.159668     -0.163699
  S      -8.596098      2.817734      0.072516
  C      -6.942372      0.745815      0.632667
  C      -9.456051     -5.092989      5.641051
  C      -8.336914     -5.630327      4.748267
  C      -7.093672     -4.722700      4.721283
  C      -7.441035     -3.324439      4.149610
  N      -7.647615     -2.354593      5.224497
  C      -8.261753     -1.129203      4.980399
  C      -8.348709     -0.581179      3.686798
  C      -8.947279      0.667518      3.508081
  C      -9.460182      1.394318      4.580654
  C      -9.374208      0.848207      5.871406
  S      -9.993297      1.691548      7.304132
  C      -8.783890     -0.401349      6.067931
  C      -0.163041     -6.545673      7.479690
  C      -0.817880     -5.249688      6.993005
  C      -2.355278     -5.230217      6.798095
  C      -3.092621     -5.959337      7.937441
  N      -4.524055     -5.834427      7.717966
  C      -5.448444     -6.418113      8.569910
  C      -6.768539     -6.635587      8.118048
  C      -7.724682     -7.166506      8.974977
  C      -7.411343     -7.501593     10.296220
  C      -6.100500     -7.301422     10.745753
  S      -5.588943     -7.700614     12.396933
  C      -5.122801     -6.771633      9.892496
  H      -1.344787      0.277621      1.292349
  H      -2.594545      0.293831      2.549720
  H      -3.056052      0.215079      0.832720
  H      -1.423888     -1.966155      2.286924
  H      -2.046902     -2.062801      0.637794
  H      -3.807919     -1.828785      3.133722
  H      -4.411632     -2.427378      0.202064
  H      -5.447667     -3.052830      1.504829
  H      -5.053477     -0.295727      2.019927
  H      -6.624579     -2.456650     -0.532082
  H      -8.503194     -1.691768     -1.939768
  H      -9.415849      0.608106     -1.727714
  H      -9.646910      2.728908     -0.774489
  H      -6.508075      1.427338      1.368048
  H     -10.297706     -5.799056      5.680837
  H      -9.851202     -4.134195      5.273647
  H      -9.103984     -4.940111      6.673960
  H      -8.724307     -5.761527      3.725415
  H      -8.042532     -6.631423      5.101411
  H      -6.817751     -4.560752      5.783249
  H      -8.329528     -3.384193      3.490075
  H      -6.595860     -2.995367      3.525404
  H      -7.951464     -2.781703      6.097210
  H      -7.952386     -1.118712      2.826610
  H      -9.017541      1.084450      2.501921
  H      -9.921822      2.368843      4.418118
  H     -10.507940      2.752255      6.641547
  H      -8.723806     -0.826348      7.073438
  H      -0.325527     -7.389392      6.795972
  H      -0.534094     -6.844584      8.470754
  H       0.923794     -6.402510      7.571052
  H      -0.575158     -4.454245      7.717056
  H      -0.362766     -4.936090      6.041133
  H      -2.643668     -4.171906      6.885462
  H      -2.789493     -7.023003      7.996421
  H      -2.812741     -5.490439      8.894681
  H      -4.734789     -5.945951      6.719690
  H      -7.025959     -6.386049      7.088340
  H      -8.740482     -7.328651      8.607953
  H      -8.171795     -7.914959     10.959276
  H      -6.783931     -8.176207     12.815301
  H      -4.106522     -6.629522     10.260165
  N      -4.595322     -3.010037      5.727303
  H      -4.759762     -3.496693      6.618652
  H      -5.465656     -2.485945      5.551912
  H      -3.848372     -2.325906      5.902315
  N      -1.774481     -2.327177      5.190476
  N      -0.693031     -2.326312      4.917335
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5658515-4aaE/orca E -7238.068743463708
  N      -3.293356     -3.744737      2.584157
  C      -2.871944     -4.611642      1.482448
  C      -2.597572     -6.009366      2.020514
  N      -3.659314     -6.390295      2.983323
  C      -4.949014     -6.705429      2.313554
  C      -6.111970     -6.523630      3.281525
  N      -5.913886     -5.291431      4.058433
  Mo     -4.034703     -4.636178      4.210334
  N      -2.844028     -5.649941      5.481499
  C      -2.321071     -6.927737      4.996135
  C      -3.233136     -7.474672      3.904322
  H      -2.277608     -7.688847      5.798021
  H      -1.284087     -6.823976      4.617177
  H      -4.146144     -7.873180      4.368365
  H      -2.749391     -8.293449      3.340498
  H      -7.033548     -6.499768      2.673206
  H      -6.204667     -7.419263      3.931286
  H      -5.057869     -5.991682      1.485577
  H      -4.936599     -7.727967      1.890639
  H      -1.948327     -4.246263      0.997530
  H      -3.636997     -4.661496      0.678622
  H      -1.651253     -6.008553      2.578764
  H      -2.517321     -6.746076      1.198064
  C      -2.304128     -0.144224      1.594335
  C      -2.256174     -1.671862      1.649997
  C      -3.528567     -2.350558      2.200503
  C      -4.734171     -2.237254      1.240445
  N      -5.380749     -0.946771      1.327881
  C      -6.408349     -0.547045      0.514245
  C      -6.979919     -1.417213     -0.441113
  C      -8.037360     -0.974063     -1.234953
  C      -8.557476      0.314270     -1.115868
  C      -7.989829      1.180742     -0.166947
  S      -8.578717      2.837091      0.077952
  C      -6.929084      0.760323      0.634089
  C      -9.455720     -5.105875      5.672138
  C      -8.340222     -5.643327      4.774782
  C      -7.103315     -4.727602      4.729682
  C      -7.463570     -3.337058      4.146324
  N      -7.666067     -2.358671      5.214533
  C      -8.278982     -1.133426      4.963828
  C      -8.367537     -0.592407      3.667521
  C      -8.964183      0.656248      3.482952
  C      -9.474476      1.389920      4.552048
  C      -9.387317      0.850741      5.845653
  S     -10.003735      1.701977      7.274930
  C      -8.798083     -0.398340      6.047979
  C      -0.156385     -6.535407      7.465223
  C      -0.817561     -5.241614      6.981374
  C      -2.355880     -5.226974      6.795109
  C      -3.085084     -5.958683      7.937681
  N      -4.517330     -5.834671      7.725578
  C      -5.436948     -6.423671      8.578823
  C      -6.759690     -6.638580      8.133419
  C      -7.710626     -7.175555      8.992431
  C      -7.389344     -7.519223     10.309514
  C      -6.075888     -7.321367     10.752744
  S      -5.553983     -7.731524     12.398051
  C      -5.103611     -6.785344      9.897313
  H      -1.322388      0.264858      1.315192
  H      -2.568389      0.279945      2.576613
  H      -3.035556      0.221250      0.860383
  H      -1.419797     -1.987228      2.291324
  H      -2.044519     -2.063354      0.641831
  H      -3.808498     -1.828362      3.135144
  H      -4.404557     -2.419139      0.200477
  H      -5.447249     -3.044523      1.497353
  H      -5.048519     -0.292194      2.025922
  H      -6.603348     -2.433028     -0.552537
  H      -8.472173     -1.657133     -1.967718
  H      -9.385138      0.641643     -1.745306
  H      -9.619850      2.756471     -0.781711
  H      -6.500480      1.435751      1.378459
  H     -10.291419     -5.818066      5.726550
  H      -9.861763     -4.154087      5.298424
  H      -9.096127     -4.939905      6.700388
  H      -8.735297     -5.786172      3.756426
  H      -8.035893     -6.639493      5.133497
  H      -6.821532     -4.551864      5.787623
  H      -8.357224     -3.408308      3.495078
  H      -6.625279     -3.009559      3.512070
  H      -7.970278     -2.779301      6.090498
  H      -7.972977     -1.135018      2.809649
  H      -9.034435      1.068464      2.474869
  H      -9.934479      2.364357      4.384526
  H     -10.512476      2.763167      6.608505
  H      -8.736834     -0.817996      7.055701
  H      -0.321120     -7.380078      6.783196
  H      -0.520599     -6.834392      8.458842
  H       0.930656     -6.389781      7.549811
  H      -0.573015     -4.444827      7.703327
  H      -0.368588     -4.927651      6.026682
  H      -2.648338     -4.169785      6.884496
  H      -2.780302     -7.022174      7.992609
  H      -2.800344     -5.491191      8.894232
  H      -4.732036     -5.940483      6.727456
  H      -7.022995     -6.381644      7.107048
  H      -8.728683     -7.335200      8.630610
  H      -8.145698     -7.937302     10.974314
  H      -6.747047     -8.207267     12.821695
  H      -4.085294     -6.644396     10.259877
  N      -4.609296     -3.007604      5.724148
  H      -4.765325     -3.488557      6.620064
  H      -5.484319     -2.490892      5.549559
  H      -3.866057     -2.317340      5.890159
  N      -1.791962     -2.311484      5.191565
  N      -0.708683     -2.308598      4.925888
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5658515-4aaE/orca E -7240.580438847955
  N      -3.306919     -3.750571      2.584907
  C      -2.886238     -4.621442      1.485349
  C      -2.618400     -6.019095      2.026334
  N      -3.682986     -6.394258      2.987951
  C      -4.971958     -6.706470      2.317046
  C      -6.136798     -6.522857      3.282624
  N      -5.932910     -5.300349      4.071227
  Mo     -4.054313     -4.635060      4.209800
  N      -2.858728     -5.640810      5.480651
  C      -2.343956     -6.924753      5.000706
  C      -3.262116     -7.474090      3.915709
  H      -2.300986     -7.681181      5.807119
  H      -1.307942     -6.828671      4.617090
  H      -4.177015     -7.861852      4.385212
  H      -2.785378     -8.301229      3.357886
  H      -7.056114     -6.487003      2.670850
  H      -6.239576     -7.423864      3.923614
  H      -5.077873     -5.992311      1.488968
  H      -4.961612     -7.728652      1.892864
  H      -1.960719     -4.258406      1.002413
  H      -3.650219     -4.668729      0.680413
  H      -1.672907     -6.020208      2.585942
  H      -2.538617     -6.757667      1.205405
  C      -2.253578     -0.162804      1.632361
  C      -2.234616     -1.691804      1.658154
  C      -3.520252     -2.353248      2.199488
  C      -4.719020     -2.225116      1.232729
  N      -5.358160     -0.931238      1.323027
  C      -6.380279     -0.522389      0.506399
  C      -6.938324     -1.378206     -0.469679
  C      -7.988582     -0.926133     -1.267218
  C      -8.514720      0.358586     -1.132676
  C      -7.961511      1.210553     -0.162541
  S      -8.560414      2.861262      0.102643
  C      -6.909395      0.779542      0.644068
  C      -9.452129     -5.134730      5.730321
  C      -8.343158     -5.671001      4.824162
  C      -7.121018     -4.737474      4.741133
  C      -7.510245     -3.364027      4.134240
  N      -7.703937     -2.369738      5.189906
  C      -8.312749     -1.142236      4.933289
  C      -8.412679     -0.611275      3.634127
  C      -9.003226      0.639215      3.445402
  C      -9.499632      1.384770      4.512663
  C      -9.402258      0.855455      5.809843
  S     -10.003950      1.718660      7.238614
  C      -8.815753     -0.393986      6.016136
  C      -0.150281     -6.512028      7.442158
  C      -0.821372     -5.222452      6.960706
  C      -2.360952     -5.214922      6.789847
  C      -3.077283     -5.947353      7.939529
  N      -4.510229     -5.822023      7.738955
  C      -5.421227     -6.425628      8.591425
  C      -6.746397     -6.643878      8.154615
  C      -7.687007     -7.197380      9.014715
  C      -7.352715     -7.554923     10.324642
  C      -6.036549     -7.353757     10.759663
  S      -5.496488     -7.781778     12.394690
  C      -5.075641     -6.799990      9.903174
  H      -1.267528      0.233341      1.350054
  H      -2.500477      0.246175      2.625458
  H      -2.986060      0.229606      0.913447
  H      -1.402504     -2.034920      2.290422
  H      -2.033351     -2.068430      0.642092
  H      -3.799650     -1.826143      3.131446
  H      -4.388338     -2.404985      0.192702
  H      -5.438041     -3.032423      1.480884
  H      -5.035183     -0.288877      2.036702
  H      -6.555709     -2.390505     -0.592941
  H      -8.413915     -1.598248     -2.015486
  H      -9.335899      0.694019     -1.766321
  H      -9.584605      2.793085     -0.778073
  H      -6.493839      1.442806      1.406855
  H     -10.274586     -5.859687      5.812931
  H      -9.880765     -4.197743      5.344690
  H      -9.079234     -4.942867      6.749134
  H      -8.752656     -5.838113      3.815104
  H      -8.016959     -6.656437      5.193269
  H      -6.827952     -4.531497      5.789808
  H      -8.415352     -3.460257      3.502867
  H      -6.688243     -3.040175      3.477136
  H      -7.999035     -2.777827      6.075487
  H      -8.028659     -1.162541      2.776770
  H      -9.077784      1.045523      2.435194
  H      -9.955108      2.360544      4.340941
  H     -10.493892      2.788467      6.571705
  H      -8.744726     -0.806216      7.026478
  H      -0.320087     -7.359564      6.764892
  H      -0.502692     -6.808330      8.440943
  H       0.937195     -6.363396      7.514270
  H      -0.572141     -4.421976      7.676984
  H      -0.382741     -4.910607      6.000419
  H      -2.660487     -4.159326      6.881682
  H      -2.771749     -7.011172      7.988199
  H      -2.783562     -5.481145      8.894120
  H      -4.729683     -5.915834      6.740415
  H      -7.018485     -6.375084      7.133595
  H      -8.707540     -7.357830      8.660339
  H      -8.100737     -7.985969     10.990595
  H      -6.684158     -8.264041     12.826044
  H      -4.055618     -6.653981     10.259380
  N      -4.635114     -2.998047      5.709850
  H      -4.774376     -3.466514      6.614917
  H      -5.518949     -2.495400      5.537292
  H      -3.899346     -2.295989      5.857627
  N      -1.828528     -2.273877      5.186451
  N      -0.740536     -2.266642      4.941437
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5658515-4aaE/orca E -7240.580459574418
  N      -3.300573     -3.746176      2.583621
  C      -2.875913     -4.609205      1.480864
  C      -2.597715     -6.007376      2.016741
  N      -3.657533     -6.392349      2.979835
  C      -4.947907     -6.708886      2.310798
  C      -6.110996     -6.529438      3.279704
  N      -5.913580     -5.298665      4.059197
  Mo     -4.036385     -4.642364      4.210503
  N      -2.845701     -5.657565      5.480632
  C      -2.319774     -6.932249      4.992689
  C      -3.229439     -7.477751      3.898652
  H      -2.275410     -7.696364      5.791802
  H      -1.282653     -6.825368      4.614814
  H      -4.142077     -7.879008      4.361076
  H      -2.743518     -8.294403      3.333650
  H      -7.032911     -6.505760      2.671892
  H      -6.201766     -7.426068      3.928420
  H      -5.058576     -5.994893      1.483210
  H      -4.933718     -7.731151      1.887403
  H      -1.952730     -4.240603      0.997415
  H      -3.639835     -4.660369      0.675918
  H      -1.651061     -6.005165      2.574450
  H      -2.516602     -6.742639      1.193098
  C      -2.322863     -0.139118      1.606788
  C      -2.269168     -1.666617      1.658203
  C      -3.539790     -2.351785      2.204551
  C      -4.745138     -2.237643      1.244609
  N      -5.389510     -0.946114      1.328932
  C      -6.410175     -0.540730      0.510214
  C      -6.981104     -1.405318     -0.450259
  C      -8.030565     -0.953675     -1.250122
  C      -8.543581      0.337389     -1.131933
  C      -7.976107      1.198695     -0.177884
  S      -8.557409      2.857797      0.068058
  C      -6.923164      0.770127      0.628776
  C      -9.452642     -5.106611      5.676293
  C      -8.339198     -5.647804      4.779084
  C      -7.101919     -4.733109      4.730270
  C      -7.461889     -3.342957      4.144972
  N      -7.655224     -2.361636      5.212174
  C      -8.274393     -1.139676      4.958629
  C      -8.368827     -0.605108      3.660494
  C      -8.969920      0.640916      3.472362
  C      -9.479047      1.376922      4.540459
  C      -9.385008      0.844014      5.836311
  S     -10.001189      1.699284      7.263343
  C      -8.790945     -0.402317      6.041831
  C      -0.154550     -6.538219      7.457601
  C      -0.818719     -5.244497      6.977175
  C      -2.357440     -5.232642      6.793673
  C      -3.083296     -5.965049      7.938415
  N      -4.516168     -5.844269      7.730687
  C      -5.434045     -6.427347      8.588957
  C      -6.761173     -6.631123      8.150913
  C      -7.712001     -7.160520      9.014092
  C      -7.387858     -7.507372     10.329747
  C      -6.070385     -7.320862     10.765517
  S      -5.544035     -7.734410     12.408426
  C      -5.097509     -6.793792      9.905321
  H      -1.342329      0.274381      1.329830
  H      -2.589957      0.280777      2.590044
  H      -3.054768      0.225660      0.872949
  H      -1.432565     -1.980740      2.299972
  H      -2.054829     -2.055530      0.649553
  H      -3.822363     -1.834014      3.141068
  H      -4.414786     -2.420654      0.205163
  H      -5.458374     -3.043699      1.502758
  H      -5.062308     -0.294356      2.031981
  H      -6.611256     -2.423745     -0.560675
  H      -8.465332     -1.632446     -1.986930
  H      -9.365739      0.670761     -1.765404
  H      -9.595344      2.783930     -0.796078
  H      -6.494323      1.442482      1.375810
  H     -10.292475     -5.814115      5.727599
  H      -9.852715     -4.151572      5.304239
  H      -9.093345     -4.944958      6.705605
  H      -8.734421     -5.791751      3.760951
  H      -8.035540     -6.643727      5.138919
  H      -6.818328     -4.554673      5.787450
  H      -8.360808     -3.412968      3.500386
  H      -6.627756     -3.019002      3.504199
  H      -7.963891     -2.781572      6.086467
  H      -7.975427     -1.150945      2.804067
  H      -9.044436      1.048012      2.462607
  H      -9.943847      2.348709      4.370687
  H     -10.511156      2.757275      6.592869
  H      -8.722699     -0.817677      7.050966
  H      -0.318874     -7.381770      6.774126
  H      -0.516608     -6.839551      8.451237
  H       0.932341     -6.390285      7.540368
  H      -0.573410     -4.448624      7.699930
  H      -0.372210     -4.927965      6.022167
  H      -2.651184     -4.175889      6.882403
  H      -2.775487     -7.027633      7.993480
  H      -2.797196     -5.495719      8.893476
  H      -4.736518     -5.952143      6.734563
  H      -7.027020     -6.372399      7.125706
  H      -8.733086     -7.311789      8.657134
  H      -8.144389     -7.918642     10.998472
  H      -6.737532     -8.204642     12.836949
  H      -4.076353     -6.663666     10.263802
  N      -4.612243     -3.015885      5.724682
  H      -4.764918     -3.498353      6.619979
  H      -5.490662     -2.504892      5.549664
  H      -3.873880     -2.320600      5.892941
  N      -1.780193     -2.300485      5.205968
  N      -0.696515     -2.285968      4.941834
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5658515-4aaE/orca E -7240.580511095865
  N      -3.319573     -3.751026      2.587535
  C      -2.896377     -4.616052      1.485030
  C      -2.622285     -6.014880      2.021196
  N      -3.683086     -6.396773      2.984223
  C      -4.973402     -6.710236      2.314810
  C      -6.137392     -6.530533      3.282593
  N      -5.934589     -5.308381      4.073266
  Mo     -4.057890     -4.644523      4.213178
  N      -2.859014     -5.652997      5.479239
  C      -2.340442     -6.932493      4.994055
  C      -3.257409     -7.479699      3.906688
  H      -2.294589     -7.692795      5.796712
  H      -1.304964     -6.831150      4.610291
  H      -4.170495     -7.873234      4.374848
  H      -2.777904     -8.302136      3.344457
  H      -7.057716     -6.495342      2.672525
  H      -6.236450     -7.432085      3.923205
  H      -5.081958     -5.994889      1.488076
  H      -4.961008     -7.731798      1.889465
  H      -1.972122     -4.248999      1.002607
  H      -3.660224     -4.664437      0.679902
  H      -1.675566     -6.014799      2.578724
  H      -2.542685     -6.750566      1.197731
  C      -2.283448     -0.153458      1.649830
  C      -2.255836     -1.682345      1.673109
  C      -3.538653     -2.353206      2.209023
  C      -4.735549     -2.223312      1.240718
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  C      -0.819364     -5.228454      6.954310
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  H      -1.297787      0.248591      1.374295
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  H      -5.054018     -0.288626      2.047449
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  H      -9.306045      0.735589     -1.794278
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  H     -10.281305     -5.854938      5.808587
  H      -9.874146     -4.193597      5.349648
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  H      -6.829167     -4.538957      5.792251
  H      -8.416239     -3.461143      3.507121
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  H      -8.002317     -2.779104      6.071092
  H      -8.016141     -1.183467      2.769152
  H      -9.074871      1.017813      2.409101
  H      -9.964062      2.340934      4.305216
  H     -10.511752      2.780708      6.528002
  H      -8.749585     -0.804189      7.014008
  H      -0.312910     -7.363737      6.749710
  H      -0.492983     -6.819172      8.428074
  H       0.943282     -6.365946      7.499369
  H      -0.570143     -4.429958      7.672822
  H      -0.384610     -4.911771      5.993898
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  H      -2.760489     -7.023273      7.988165
  H      -2.774945     -5.493259      8.892376
  H      -4.733977     -5.939100      6.750454
  H      -7.024411     -6.363988      7.167096
  H      -8.709312     -7.326600      8.709043
  H      -8.088496     -7.962129     11.034413
  H      -6.657172     -8.264187     12.852869
  H      -4.033482     -6.686482     10.262840
  N      -4.640140     -3.010929      5.716965
  H      -4.776214     -3.481563      6.621204
  H      -5.527456     -2.514584      5.543190
  H      -3.909740     -2.303454      5.867472
  N      -1.818684     -2.273509      5.207283
  N      -0.731219     -2.254146      4.960026
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5658515-4aaE/orca E -7240.580446338004
  N      -3.288623     -3.747947      2.579701
  C      -2.863455     -4.617612      1.482169
  C      -2.597092     -6.015425      2.023972
  N      -3.665090     -6.391218      2.981521
  C      -4.951364     -6.704127      2.305141
  C      -6.119036     -6.520784      3.266534
  N      -5.920383     -5.294684      4.051821
  Mo     -4.041960     -4.633692      4.203068
  N      -2.857426     -5.643215      5.481549
  C      -2.337551     -6.924260      5.002326
  C      -3.247462     -7.472419      3.909768
  H      -2.298687     -7.683803      5.806183
  H      -1.299018     -6.825599      4.626046
  H      -4.164274     -7.863855      4.372422
  H      -2.764992     -8.297123      3.353337
  H      -7.036969     -6.489109      2.652732
  H      -6.220837     -7.419496      3.910831
  H      -5.053954     -5.989549      1.477037
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  H      -1.935682     -4.255705      1.002442
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  H      -1.653659     -6.016832      2.587083
  H      -2.514828     -6.753662      1.203038
  C      -2.273152     -0.155056      1.600333
  C      -2.238368     -1.683251      1.643278
  C      -3.515223     -2.353015      2.194668
  C      -4.722595     -2.234699      1.237497
  N      -5.368953     -0.944328      1.330293
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  C      -8.337681     -5.670022      4.777054
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  H      -1.291366      0.248179      1.313108
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  H      -6.574439     -2.417388     -0.570619
  H      -8.441398     -1.637305     -1.987671
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  H      -6.508646      1.429578      1.404622
  H     -10.285969     -5.863782      5.730466
  H      -9.872676     -4.195714      5.301397
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  H      -8.025393     -1.141055      2.794928
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  H     -10.436290      2.787549      6.645181
  H      -8.716912     -0.828456      7.052444
  H      -0.340159     -7.371527      6.789203
  H      -0.535511     -6.815268      8.462071
  H       0.915665     -6.380296      7.548061
  H      -0.581312     -4.430366      7.692294
  H      -0.382118     -4.923469      6.018349
  H      -2.658443     -4.155654      6.876523
  H      -2.794438     -7.002063      7.994469
  H      -2.805338     -5.468339      8.893026
  H      -4.742459     -5.909201      6.731769
  H      -7.029318     -6.384308      7.117109
  H      -8.719936     -7.360080      8.645946
  H      -8.122357     -7.956619     10.987204
  H      -6.712427     -8.214431     12.829578
  H      -4.082378     -6.606091     10.263331
  N      -4.618487     -2.996904      5.704231
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  H      -5.497368     -2.486705      5.529025
  H      -3.880486     -2.299303      5.863278
  N      -1.820195     -2.296934      5.178014
  N      -0.732573     -2.286157      4.932597
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5658515-4aaE/orca E -7240.580551585692
  N      -3.318006     -3.752021      2.585307
  C      -2.892897     -4.618028      1.484517
  C      -2.621552     -6.017124      2.022075
  N      -3.684980     -6.397398      2.982889
  C      -4.973691     -6.710259      2.310295
  C      -6.139720     -6.530523      3.275421
  N      -5.936820     -5.310886      4.070034
  Mo     -4.060913     -4.644293      4.209710
  N      -2.864890     -5.651110      5.479300
  C      -2.347184     -6.931697      4.996604
  C      -3.262849     -7.479252      3.908346
  H      -2.303358     -7.691625      5.799858
  H      -1.310940     -6.832261      4.614354
  H      -4.177564     -7.870183      4.375518
  H      -2.783478     -8.303859      3.349142
  H      -7.058596     -6.491669      2.663264
  H      -6.242600     -7.433409      3.913495
  H      -5.079590     -5.994392      1.483677
  H      -4.960772     -7.731596      1.884413
  H      -1.966939     -4.252358      1.004243
  H      -3.654547     -4.666169      0.677231
  H      -1.675995     -6.017849      2.581563
  H      -2.541001     -6.753234      1.199073
  C      -2.273275     -0.157115      1.652016
  C      -2.250639     -1.686062      1.669367
  C      -3.534352     -2.353923      2.206977
  C      -4.732990     -2.222024      1.240966
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  C      -5.059659     -6.803396      9.918981
  H      -1.287956      0.243100      1.372640
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  H      -1.418407     -2.031195      2.300689
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  H      -4.401026     -2.399786      0.201305
  H      -5.453596     -3.027186      1.488669
  H      -5.061880     -0.294600      2.061907
  H      -6.554572     -2.367359     -0.607215
  H      -8.385910     -1.551114     -2.049690
  H      -9.295817      0.744899     -1.796670
  H      -9.540152      2.839968     -0.799981
  H      -6.485463      1.456550      1.413108
  H     -10.274190     -5.879368      5.820363
  H      -9.876934     -4.216958      5.356426
  H      -9.076211     -4.966650      6.758634
  H      -8.753060     -5.867543      3.826122
  H      -8.007437     -6.671634      5.207563
  H      -6.830606     -4.537905      5.786547
  H      -8.437764     -3.480821      3.507895
  H      -6.711044     -3.058291      3.461826
  H      -8.003124     -2.785794      6.068205
  H      -8.041418     -1.191418      2.762647
  H      -9.086800      1.017706      2.411046
  H      -9.953033      2.346059      4.314252
  H     -10.469837      2.794970      6.541580
  H      -8.737788     -0.807491      7.013189
  H      -0.320720     -7.359720      6.753320
  H      -0.499193     -6.809412      8.430025
  H       0.936971     -6.360716      7.498971
  H      -0.574102     -4.422825      7.667229
  H      -0.390461     -4.909902      5.989663
  H      -2.664461     -4.163728      6.873473
  H      -2.766392     -7.013804      7.988897
  H      -2.776287     -5.482416      8.891211
  H      -4.738576     -5.924416      6.752562
  H      -7.024210     -6.367522      7.166601
  H      -8.705067     -7.340110      8.707454
  H      -8.082821     -7.969580     11.033916
  H      -6.652174     -8.260943     12.853998
  H      -4.035660     -6.666066     10.266990
  N      -4.644411     -3.006266      5.707213
  H      -4.775883     -3.474375      6.613279
  H      -5.534146     -2.514277      5.533333
  H      -3.917484     -2.294321      5.853883
  N      -1.832962     -2.267560      5.200357
  N      -0.743675     -2.241632      4.962559
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5658515-4aaE/orca E -7240.580591320703
  N      -3.340124     -3.755285      2.590370
  C      -2.913975     -4.618984      1.488005
  C      -2.642454     -6.019860      2.022346
  N      -3.705125     -6.401994      2.983105
  C      -4.994144     -6.712348      2.309761
  C      -6.161068     -6.534722      3.274416
  N      -5.954159     -5.323252      4.080828
  Mo     -4.079907     -4.652228      4.213577
  N      -2.877111     -5.656712      5.477453
  C      -2.363411     -6.938368      4.993520
  C      -3.283468     -7.484506      3.907986
  H      -2.317919     -7.698365      5.796708
  H      -1.328414     -6.840789      4.607463
  H      -4.198136     -7.872332      4.377812
  H      -2.807543     -8.310846      3.348384
  H      -7.078726     -6.485376      2.660943
  H      -6.269754     -7.442211      3.904722
  H      -5.098910     -5.994226      1.484941
  H      -4.981424     -7.732489      1.881042
  H      -1.987492     -4.252109      1.009666
  H      -3.674711     -4.665238      0.679729
  H      -1.696371     -6.022064      2.580883
  H      -2.562941     -6.754042      1.197524
  C      -2.260184     -0.163102      1.697249
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  C      -3.544335     -2.354452      2.217305
  C      -4.735831     -2.209125      1.244702
  N      -5.358671     -0.907762      1.334007
  C      -6.353961     -0.473291      0.498637
  C      -6.893766     -1.302933     -0.509501
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  C      -7.894566      1.291967     -0.180450
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  C      -7.564969     -3.408640      4.121016
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  C      -9.416945      0.847782      5.730889
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  C      -8.836218     -0.401159      5.956982
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  C      -5.965069     -7.376797     10.812391
  S      -5.390003     -7.826138     12.429818
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  H      -1.271237      0.231612      1.422768
  H      -2.503314      0.225657      2.699209
  H      -2.990116      0.250454      0.987681
  H      -1.425008     -2.055676      2.317015
  H      -2.053636     -2.050212      0.667408
  H      -3.827011     -1.836734      3.153684
  H      -4.398232     -2.385165      0.206816
  H      -5.463781     -3.008931      1.484747
  H      -5.070980     -0.291611      2.085097
  H      -6.522517     -2.318253     -0.641816
  H      -8.324046     -1.472362     -2.104047
  H      -9.228170      0.823787     -1.833635
  H      -9.476111      2.907665     -0.815875
  H      -6.468282      1.477789      1.431652
  H     -10.265933     -5.912978      5.883643
  H      -9.888541     -4.252552      5.396848
  H      -9.065205     -4.979613      6.797807
  H      -8.768233     -5.915201      3.873584
  H      -7.993884     -6.688802      5.256129
  H      -6.839879     -4.529733      5.789053
  H      -8.488497     -3.524446      3.519387
  H      -6.765370     -3.090838      3.434841
  H      -8.036651     -2.785960      6.051015
  H      -8.071424     -1.234018      2.727603
  H      -9.112323      0.973459      2.350160
  H      -9.973263      2.326611      4.237973
  H     -10.478994      2.807810      6.460541
  H      -8.758606     -0.795320      6.973897
  H      -0.314305     -7.351125      6.723855
  H      -0.475869     -6.802140      8.402690
  H       0.947560     -6.346731      7.455374
  H      -0.570698     -4.415655      7.641678
  H      -0.402828     -4.901102      5.961925
  H      -2.671560     -4.166870      6.867495
  H      -2.750341     -7.017972      7.984004
  H      -2.752548     -5.487917      8.888591
  H      -4.741086     -5.924420      6.773074
  H      -7.026814     -6.349195      7.223227
  H      -8.687786     -7.326913      8.782293
  H      -8.030435     -7.984905     11.091418
  H      -6.570581     -8.305272     12.883448
  H      -3.987781     -6.702509     10.268261
  N      -4.668970     -3.009704      5.703758
  H      -4.783506     -3.468691      6.616478
  H      -5.568808     -2.535490      5.530874
  H      -3.953494     -2.283450      5.836542
  N      -1.856615     -2.242110      5.215402
  N      -0.764662     -2.201272      4.992336
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5658515-4aaE/orca E -7240.580653426551
  N      -3.358137     -3.757653      2.595047
  C      -2.928200     -4.617377      1.491274
  C      -2.655410     -6.020257      2.021665
  N      -3.718309     -6.406323      2.980578
  C      -5.006452     -6.714894      2.303983
  C      -6.175844     -6.540774      3.266503
  N      -5.967492     -5.336958      4.085231
  Mo     -4.095757     -4.662022      4.216011
  N      -2.889478     -5.665985      5.475824
  C      -2.376969     -6.946909      4.990232
  C      -3.297778     -7.490615      3.903996
  H      -2.331258     -7.708670      5.791911
  H      -1.342241     -6.849426      4.603431
  H      -4.213042     -7.877703      4.373235
  H      -2.822452     -8.316848      3.343743
  H      -7.091641     -6.481839      2.650870
  H      -6.289852     -7.452676      3.889003
  H      -5.109290     -5.994188      1.481190
  H      -4.992292     -7.733627      1.872078
  H      -2.000759     -4.248329      1.016387
  H      -3.686436     -4.662449      0.680533
  H      -1.709543     -6.023442      2.580526
  H      -2.575224     -6.751609      1.194433
  C      -2.262789     -0.163929      1.731915
  C      -2.262281     -1.692706      1.709279
  C      -3.556913     -2.354825      2.228279
  C      -4.744400     -2.200230      1.252251
  N      -5.356108     -0.893806      1.339946
  C      -6.337537     -0.445460      0.495624
  C      -6.862912     -1.257670     -0.533985
  C      -7.865621     -0.758524     -1.365169
  C      -8.378619      0.528412     -1.209136
  C      -7.859435      1.336105     -0.183091
  S      -8.455444      2.979952      0.123409
  C      -6.851137      0.860991      0.653698
  C      -9.447403     -5.219156      5.818323
  C      -8.346706     -5.751641      4.900689
  C      -7.159577     -4.782680      4.754127
  C      -7.603159     -3.440117      4.112348
  N      -7.758144     -2.411276      5.140910
  C      -8.362174     -1.187751      4.853713
  C      -8.473592     -0.697972      3.539743
  C      -9.053397      0.553180      3.320041
  C      -9.525084      1.335765      4.371869
  C      -9.415141      0.846926      5.683739
  S      -9.988416      1.762268      7.091032
  C      -8.841149     -0.403198      5.920762
  C      -0.133765     -6.496028      7.373730
  C      -0.828734     -5.212971      6.908149
  C      -2.371728     -5.223854      6.771083
  C      -3.053134     -5.958976      7.939786
  N      -4.492291     -5.839334      7.784316
  C      -5.377127     -6.438603      8.664477
  C      -6.723940     -6.619602      8.279800
  C      -7.640208     -7.168481      9.167435
  C      -7.261984     -7.556885     10.457128
  C      -5.925450     -7.390957     10.840246
  S      -5.331403     -7.855639     12.446443
  C      -4.986826     -6.844726      9.954201
  H      -1.272215      0.229466      1.461173
  H      -2.503817      0.215102      2.738028
  H      -2.991656      0.259906      1.027470
  H      -1.436441     -2.066429      2.332936
  H      -2.063507     -2.041314      0.682753
  H      -3.841043     -1.841489      3.166635
  H      -4.403152     -2.374717      0.215720
  H      -5.478249     -2.995452      1.487830
  H      -5.096667     -0.297249      2.116838
  H      -6.494749     -2.272908     -0.675123
  H      -8.264536     -1.396440     -2.156741
  H      -9.165721      0.898450     -1.866322
  H      -9.421461      2.968762     -0.823357
  H      -6.459786      1.492565      1.454989
  H     -10.258609     -5.953037      5.927117
  H      -9.895367     -4.293516      5.426456
  H      -9.057019     -5.005258      6.826220
  H      -8.775569     -5.969645      3.909772
  H      -7.975848     -6.711180      5.295333
  H      -6.848673     -4.530541      5.786785
  H      -8.538614     -3.569141      3.532005
  H      -6.819839     -3.126811      3.405975
  H      -8.058328     -2.792113      6.036417
  H      -8.109465     -1.282166      2.695767
  H      -9.137985      0.927920      2.298980
  H      -9.974256      2.310231      4.177009
  H     -10.451004      2.826603      6.396602
  H      -8.756619     -0.785169      6.941748
  H      -0.311115     -7.345324      6.700745
  H      -0.459121     -6.795571      8.380550
  H       0.953426     -6.334847      7.419552
  H      -0.571385     -4.410305      7.619078
  H      -0.416473     -4.895488      5.937924
  H      -2.679385     -4.170807      6.858844
  H      -2.740711     -7.020834      7.980617
  H      -2.733830     -5.490901      8.885172
  H      -4.748870     -5.922479      6.793829
  H      -7.031572     -6.325634      7.276148
  H      -8.677314     -7.301636      8.851683
  H      -7.991807     -7.982703     11.146071
  H      -6.509111     -8.329646     12.912712
  H      -3.950195     -6.731832     10.272266
  N      -4.689640     -3.013892      5.697667
  H      -4.787873     -3.464605      6.616081
  H      -5.599315     -2.558551      5.524741
  H      -3.987550     -2.272409      5.818703
  N      -1.872124     -2.213425      5.233927
  N      -0.777648     -2.151615      5.028881
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5658515-4aaE/orca E -7240.580740095442
  N      -3.366154     -3.758463      2.598204
  C      -2.930394     -4.614131      1.494313
  C      -2.657142     -6.018614      2.021725
  N      -3.722416     -6.408685      2.976601
  C      -5.008039     -6.715962      2.293695
  C      -6.181434     -6.545442      3.251883
  N      -5.974315     -5.347490      4.081426
  Mo     -4.105328     -4.670256      4.216137
  N      -2.900274     -5.675636      5.475126
  C      -2.386810     -6.954866      4.988706
  C      -3.304833     -7.495536      3.898542
  H      -2.342967     -7.719357      5.788167
  H      -1.351125     -6.856915      4.604501
  H      -4.221754     -7.883289      4.363966
  H      -2.827714     -8.320630      3.338138
  H      -7.094786     -6.478951      2.633251
  H      -6.300426     -7.460765      3.867840
  H      -5.107324     -5.992787      1.472666
  H      -4.991285     -7.733326      1.858839
  H      -2.001136     -4.243363      1.024101
  H      -3.684441     -4.658751      0.679521
  H      -1.712701     -6.022529      2.582968
  H      -2.574462     -6.747250      1.192387
  C      -2.275030     -0.160346      1.746492
  C      -2.273375     -1.688877      1.719736
  C      -3.566985     -2.354820      2.236980
  C      -4.755480     -2.196664      1.262562
  N      -5.357657     -0.885707      1.347684
  C      -6.330588     -0.429021      0.497620
  C      -6.840671     -1.226456     -0.550914
  C      -7.830451     -0.714900     -1.390310
  C      -8.346665      0.569266     -1.222917
  C      -7.843463      1.361798     -0.177188
  S      -8.446848      2.999329      0.146787
  C      -6.846932      0.874959      0.666828
  C      -9.446688     -5.261262      5.829377
  C      -8.342924     -5.787784      4.911999
  C      -7.170560     -4.803239      4.751526
  C      -7.635287     -3.470375      4.105075
  N      -7.773741     -2.432784      5.127059
  C      -8.369179     -1.206239      4.835864
  C      -8.493878     -0.728865      3.518619
  C      -9.062256      0.526750      3.294170
  C      -9.508585      1.325586      4.344703
  C      -9.385773      0.848971      5.659991
  S      -9.927697      1.786219      7.065117
  C      -8.823867     -0.405797      5.901757
  C      -0.136238     -6.492304      7.360926
  C      -0.835492     -5.211349      6.895992
  C      -2.378850     -5.225352      6.765742
  C      -3.053289     -5.955626      7.939874
  N      -4.493438     -5.831271      7.797581
  C      -5.372090     -6.429575      8.684293
  C      -6.724021     -6.598702      8.312112
  C      -7.635430     -7.146199      9.205388
  C      -7.247263     -7.544518     10.489046
  C      -5.905994     -7.389822     10.859778
  S      -5.300901     -7.866027     12.458332
  C      -4.971749     -6.845614      9.967652
  H      -1.284621      0.234490      1.476977
  H      -2.516265      0.215764      2.753621
  H      -3.005032      0.264214      1.043955
  H      -1.447434     -2.063842      2.342893
  H      -2.074022     -2.034848      0.692410
  H      -3.850054     -1.845525      3.177870
  H      -4.415102     -2.370274      0.226129
  H      -5.493340     -2.988987      1.498162
  H      -5.137519     -0.313118      2.154449
  H      -6.471718     -2.240036     -0.701456
  H      -8.216938     -1.341388     -2.197030
  H      -9.124529      0.948604     -1.885792
  H      -9.395786      3.003777     -0.817143
  H      -6.466133      1.495877      1.481449
  H     -10.254432     -5.998793      5.938462
  H      -9.898878     -4.337603      5.437461
  H      -9.056566     -5.044509      6.836856
  H      -8.772384     -6.023109      3.925346
  H      -7.955380     -6.736750      5.316048
  H      -6.856219     -4.541728      5.780635
  H      -8.581842     -3.608187      3.544957
  H      -6.868149     -3.158893      3.380684
  H      -8.068285     -2.805173      6.027974
  H      -8.150867     -1.326927      2.675522
  H      -9.157374      0.891503      2.270524
  H      -9.949014      2.303392      4.146487
  H     -10.385557      2.849234      6.365609
  H      -8.728587     -0.778437      6.925257
  H      -0.315652     -7.343592      6.691051
  H      -0.456100     -6.789660      8.370138
  H       0.950862     -6.328986      7.400972
  H      -0.576418     -4.406960      7.604331
  H      -0.428777     -4.894543      5.923042
  H      -2.686271     -4.171968      6.848161
  H      -2.743833     -7.018371      7.979589
  H      -2.725107     -5.487564      8.882302
  H      -4.761349     -5.909378      6.810130
  H      -7.039920     -6.295935      7.313591
  H      -8.676506     -7.270229      8.899097
  H      -7.973320     -7.968740     11.182912
  H      -6.477065     -8.337465     12.931069
  H      -3.931405     -6.742623     10.276794
  N      -4.700828     -3.013596      5.687114
  H      -4.785557     -3.456239      6.610460
  H      -5.618189     -2.574521      5.512560
  H      -4.011017     -2.258850      5.798182
  N      -1.880398     -2.188424      5.247678
  N      -0.783916     -2.103518      5.063473
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5658515-4aaE/orca E -7240.580824506397
  N      -3.369592     -3.755399      2.603246
  C      -2.929775     -4.608342      1.499131
  C      -2.657711     -6.014343      2.023643
  N      -3.726038     -6.407925      2.973909
  C      -5.009137     -6.713317      2.285370
  C      -6.185926     -6.546476      3.240050
  N      -5.979783     -5.354316      4.079237
  Mo     -4.112727     -4.674076      4.216716
  N      -2.909492     -5.681584      5.474296
  C      -2.396105     -6.960250      4.987842
  C      -3.311867     -7.497619      3.894014
  H      -2.354975     -7.726438      5.786028
  H      -1.359315     -6.863167      4.606349
  H      -4.230513     -7.885722      4.355712
  H      -2.833578     -8.321730      3.333125
  H      -7.097089     -6.472773      2.618784
  H      -6.310078     -7.465333      3.849406
  H      -5.105349     -5.987569      1.466253
  H      -4.990739     -7.729156      1.847057
  H      -1.998880     -4.236695      1.032689
  H      -3.680655     -4.651470      0.681239
  H      -1.714993     -6.019662      2.587742
  H      -2.572211     -6.740298      1.192221
  C      -2.281082     -0.154871      1.757829
  C      -2.279884     -1.683309      1.727859
  C      -3.572397     -2.351217      2.245347
  C      -4.762829     -2.191952      1.273235
  N      -5.358138     -0.877379      1.353902
  C      -6.326567     -0.419253      0.498271
  C      -6.815599     -1.205525     -0.568495
  C      -7.795365     -0.688678     -1.416456
  C      -8.322601      0.589756     -1.239623
  C      -7.841589      1.370585     -0.174871
  S      -8.460506      2.999614      0.161878
  C      -6.855192      0.878256      0.677773
  C      -9.445258     -5.299210      5.842480
  C      -8.337078     -5.820586      4.927322
  C      -7.179231     -4.821085      4.752949
  C      -7.665348     -3.497539      4.103696
  N      -7.789695     -2.452089      5.118951
  C      -8.374230     -1.221248      4.826201
  C      -8.518618     -0.756121      3.506441
  C      -9.073840      0.504831      3.279188
  C      -9.487275      1.321860      4.329007
  C      -9.345386      0.857644      5.646928
  S      -9.844781      1.818333      7.051896
  C      -8.796933     -0.402389      5.891719
  C      -0.140773     -6.490547      7.351805
  C      -0.841143     -5.210395      6.886634
  C      -2.384543     -5.225216      6.761155
  C      -3.055396     -5.950845      7.939036
  N      -4.495987     -5.817310      7.807294
  C      -5.371016     -6.417806      8.696346
  C      -6.725236     -6.580165      8.329512
  C      -7.634315     -7.130767      9.223219
  C      -7.240747     -7.538933     10.501899
  C      -5.897349     -7.390650     10.867379
  S      -5.287060     -7.879935     12.459654
  C      -4.965390     -6.842939      9.974810
  H      -1.291127      0.240175      1.486837
  H      -2.519834      0.219291      2.766270
  H      -3.013800      0.270480      1.058885
  H      -1.453498     -2.059825      2.349679
  H      -2.081183     -2.027143      0.699652
  H      -3.853502     -1.843803      3.187802
  H      -4.424448     -2.366459      0.236828
  H      -5.503110     -2.982678      1.510679
  H      -5.183656     -0.330823      2.189843
  H      -6.438433     -2.214793     -0.727440
  H      -8.164988     -1.306690     -2.237484
  H      -9.092283      0.973552     -1.909472
  H      -9.391501      3.013125     -0.819285
  H      -6.490850      1.490117      1.506572
  H     -10.246645     -6.042965      5.955804
  H      -9.905303     -4.381327      5.446102
  H      -9.056410     -5.073393      6.848566
  H      -8.766028     -6.073705      3.944896
  H      -7.933768     -6.758429      5.341862
  H      -6.861017     -4.551382      5.778494
  H      -8.621449     -3.644968      3.562618
  H      -6.913778     -3.187327      3.362618
  H      -8.069630     -2.815271      6.028338
  H      -8.202985     -1.368636      2.663053
  H      -9.184272      0.859508      2.253626
  H      -9.917012      2.303926      4.128440
  H     -10.299200      2.881307      6.350088
  H      -8.686852     -0.764664      6.917405
  H      -0.322749     -7.343307      6.684517
  H      -0.457770     -6.785363      8.362708
  H       0.946527     -6.327800      7.388367
  H      -0.580382     -4.404756      7.592896
  H      -0.438006     -4.894962      5.911621
  H      -2.691312     -4.171314      6.839573
  H      -2.752317     -7.015588      7.975547
  H      -2.718352     -5.486170      8.880153
  H      -4.773371     -5.887714      6.821989
  H      -7.045062     -6.269191      7.334654
  H      -8.677244     -7.249421      8.921196
  H      -7.964639     -7.965950     11.196347
  H      -6.462891     -8.351121     12.933493
  H      -3.923397     -6.744568     10.279934
  N      -4.707390     -3.007849      5.677082
  H      -4.779265     -3.443200      6.604749
  H      -5.631497     -2.582966      5.503313
  H      -4.027725     -2.242334      5.777194
  N      -1.889442     -2.163818      5.255378
  N      -0.791634     -2.061119      5.090786
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5658515-4aaE/orca E -7240.580906389481
  N      -3.364122     -3.748141      2.611298
  C      -2.921019     -4.598277      1.506560
  C      -2.651749     -6.005276      2.027826
  N      -3.724262     -6.402451      2.972278
  C      -5.004540     -6.704764      2.277780
  C      -6.184712     -6.540832      3.228700
  N      -5.980777     -5.352310      4.074151
  Mo     -4.113869     -4.673050      4.219423
  N      -2.914427     -5.685659      5.474916
  C      -2.401129     -6.963939      4.987777
  C      -3.313787     -7.496707      3.888521
  H      -2.364199     -7.731918      5.784494
  H      -1.362734     -6.867852      4.610440
  H      -4.234161     -7.886934      4.344922
  H      -2.833602     -8.318193      3.325394
  H      -7.093551     -6.462676      2.604421
  H      -6.313135     -7.461966      3.833547
  H      -5.097282     -5.976415      1.460579
  H      -4.985349     -7.719056      1.835908
  H      -1.988509     -4.226132      1.043612
  H      -3.669093     -4.639081      0.685944
  H      -1.711515     -6.012557      2.596035
  H      -2.562536     -6.728435      1.194321
  C      -2.290153     -0.142808      1.762845
  C      -2.284390     -1.671346      1.736160
  C      -3.573918     -2.344221      2.254316
  C      -4.766129     -2.190155      1.283373
  N      -5.354533     -0.871235      1.351075
  C      -6.329152     -0.425065      0.493959
  C      -6.799938     -1.210859     -0.581199
  C      -7.780708     -0.702028     -1.432880
  C      -8.327193      0.567640     -1.251119
  C      -7.865526      1.347488     -0.177256
  S      -8.508546      2.965778      0.165782
  C      -6.878490      0.862741      0.678991
  C      -9.453782     -5.322583      5.825847
  C      -8.336655     -5.837189      4.917468
  C      -7.184602     -4.829445      4.749384
  C      -7.678566     -3.506825      4.105831
  N      -7.789560     -2.460172      5.120959
  C      -8.362278     -1.223783      4.830394
  C      -8.528078     -0.766804      3.510248
  C      -9.072735      0.498821      3.283817
  C      -9.453281      1.330538      4.334370
  C      -9.289397      0.875092      5.652988
  S      -9.744036      1.854032      7.060500
  C      -8.752529     -0.389929      5.897026
  C      -0.148908     -6.495998      7.354362
  C      -0.845635     -5.214681      6.887396
  C      -2.388636     -5.226923      6.760619
  C      -3.061971     -5.948255      7.939010
  N      -4.501721     -5.802006      7.812971
  C      -5.376675     -6.404237      8.701337
  C      -6.733567     -6.554218      8.339326
  C      -7.641933     -7.108774      9.231517
  C      -7.243877     -7.533590     10.503308
  C      -5.897841     -7.397735     10.863936
  S      -5.282694     -7.910959     12.446661
  C      -4.967047     -6.844981      9.973112
  H      -1.300933      0.253908      1.491475
  H      -2.530054      0.233302      2.770330
  H      -3.025317      0.277989      1.064083
  H      -1.457153     -2.043803      2.359379
  H      -2.083463     -2.016524      0.708787
  H      -3.855098     -1.837599      3.197104
  H      -4.428812     -2.371690      0.248321
  H      -5.508782     -2.978018      1.526149
  H      -5.231200     -0.350450      2.212909
  H      -6.408174     -2.213872     -0.744218
  H      -8.135904     -1.319998     -2.260270
  H      -9.097129      0.945498     -1.924092
  H      -9.436739      2.971408     -0.818066
  H      -6.528618      1.473104      1.515117
  H     -10.251955     -6.070715      5.932688
  H      -9.915849     -4.406555      5.427656
  H      -9.073642     -5.095893      6.834849
  H      -8.758477     -6.093961      3.932955
  H      -7.928485     -6.771017      5.336118
  H      -6.868536     -4.564021      5.776692
  H      -8.640626     -3.653997      3.575356
  H      -6.935822     -3.196689      3.355812
  H      -8.062458     -2.819947      6.034012
  H      -8.240100     -1.390290      2.665030
  H      -9.201308      0.845897      2.257796
  H      -9.873777      2.316598      4.133981
  H     -10.209445      2.913457      6.360499
  H      -8.626922     -0.744251      6.923746
  H      -0.332373     -7.349047      6.687887
  H      -0.468307     -6.788840      8.365148
  H       0.938829     -6.336651      7.392622
  H      -0.584771     -4.409096      7.593633
  H      -0.441356     -4.900406      5.912404
  H      -2.692985     -4.171992      6.835882
  H      -2.768313     -7.015875      7.971353
  H      -2.718383     -5.489881      8.880974
  H      -4.785355     -5.861790      6.828975
  H      -7.056274     -6.230107      7.349652
  H      -8.687079     -7.217530      8.933548
  H      -7.966752     -7.964488     11.196472
  H      -6.459736     -8.378522     12.921114
  H      -3.922881     -6.755565     10.273607
  N      -4.704968     -2.997075      5.669955
  H      -4.768428     -3.425318      6.602204
  H      -5.633109     -2.581483      5.495347
  H      -4.031180     -2.225272      5.760347
  N      -1.887955     -2.149069      5.261861
  N      -0.788492     -2.038618      5.116531
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5658515-4aaE/orca E -7240.580977560419
  N      -3.370305     -3.738476      2.620934
  C      -2.927704     -4.587877      1.514220
  C      -2.660304     -5.996608      2.032001
  N      -3.734575     -6.396199      2.973131
  C      -5.014214     -6.693840      2.276672
  C      -6.195387     -6.532455      3.227083
  N      -5.989188     -5.351446      4.081646
  Mo     -4.121673     -4.668913      4.224230
  N      -2.922117     -5.685166      5.474873
  C      -2.413139     -6.965509      4.987190
  C      -3.327093     -7.493584      3.886755
  H      -2.379303     -7.733263      5.784181
  H      -1.374331     -6.872812      4.610353
  H      -4.248592     -7.882349      4.342101
  H      -2.849111     -8.314997      3.321618
  H      -7.102724     -6.446170      2.601264
  H      -6.329170     -7.457822      3.824380
  H      -5.105573     -5.962450      1.461977
  H      -4.996615     -7.706295      1.830290
  H      -1.994906     -4.215055      1.052484
  H      -3.675968     -4.625294      0.693717
  H      -1.721112     -6.006080      2.601894
  H      -2.569447     -6.717420      1.196511
  C      -2.272953     -0.135721      1.802746
  C      -2.278726     -1.663843      1.755011
  C      -3.573289     -2.333266      2.264543
  C      -4.759542     -2.176444      1.287386
  N      -5.336529     -0.851292      1.339761
  C      -6.319613     -0.419010      0.482854
  C      -6.773882     -1.206241     -0.598199
  C      -7.756919     -0.707346     -1.453056
  C      -8.321178      0.554185     -1.269174
  C      -7.877032      1.335064     -0.188807
  S      -8.541876      2.944382      0.155889
  C      -6.889346      0.859108      0.671568
  C      -9.449628     -5.334555      5.857870
  C      -8.334508     -5.849573      4.947101
  C      -7.193051     -4.833146      4.759592
  C      -7.704567     -3.520130      4.109035
  N      -7.801799     -2.463136      5.114545
  C      -8.367201     -1.225068      4.816164
  C      -8.549124     -0.782494      3.493184
  C      -9.085182      0.485327      3.259056
  C      -9.442267      1.334356      4.303880
  C      -9.261648      0.893840      5.625482
  S      -9.683264      1.894023      7.028416
  C      -8.732380     -0.372668      5.877245
  C      -0.148490     -6.497569      7.339058
  C      -0.846661     -5.215091      6.877885
  C      -2.389918     -5.228389      6.758965
  C      -3.058121     -5.952932      7.939366
  N      -4.497432     -5.797930      7.823298
  C      -5.371191     -6.406917      8.708144
  C      -6.731603     -6.540981      8.353031
  C      -7.637962     -7.104270      9.241806
  C      -7.233934     -7.553370     10.503330
  C      -5.884678     -7.432740     10.857411
  S      -5.262270     -7.978093     12.426400
  C      -4.956141     -6.871022      9.969833
  H      -1.281784      0.256987      1.532666
  H      -2.506025      0.228061      2.816324
  H      -3.008883      0.299443      1.113823
  H      -1.454285     -2.050491      2.373147
  H      -2.079886     -1.996509      0.723039
  H      -3.858122     -1.826336      3.206013
  H      -4.418716     -2.368383      0.255688
  H      -5.509460     -2.958943      1.531330
  H      -5.252560     -0.350611      2.218756
  H      -6.366775     -2.202723     -0.763616
  H      -8.099264     -1.326557     -2.284905
  H      -9.091312      0.925107     -1.945801
  H      -9.464870      2.941594     -0.832861
  H      -6.553869      1.468830      1.514002
  H     -10.236646     -6.091414      5.984674
  H      -9.927710     -4.431631      5.448867
  H      -9.064245     -5.086156      6.859685
  H      -8.761875     -6.120756      3.968904
  H      -7.914482     -6.774974      5.372746
  H      -6.871728     -4.555053      5.781542
  H      -8.674701     -3.677765      3.596722
  H      -6.975983     -3.215166      3.343055
  H      -8.071004     -2.812359      6.033026
  H      -8.279509     -1.418226      2.650997
  H      -9.225736      0.821475      2.230978
  H      -9.855905      2.321811      4.096503
  H     -10.147139      2.951456      6.324286
  H      -8.593759     -0.713800      6.906797
  H      -0.336609     -7.349258      6.672085
  H      -0.463282     -6.791878      8.350934
  H       0.939707     -6.340344      7.372293
  H      -0.582922     -4.410628      7.584268
  H      -0.447418     -4.899229      5.901334
  H      -2.697008     -4.174221      6.837966
  H      -2.769654     -7.022330      7.962530
  H      -2.705830     -5.502564      8.882085
  H      -4.787921     -5.840372      6.839905
  H      -7.058146     -6.196444      7.371554
  H      -8.685987     -7.200037      8.949618
  H      -7.955031     -7.991228     11.194018
  H      -6.440433     -8.440394     12.903214
  H      -3.909389     -6.792042     10.264297
  N      -4.711833     -2.985001      5.665641
  H      -4.762659     -3.401344      6.603081
  H      -5.646311     -2.582233      5.493843
  H      -4.044974     -2.205687      5.740236
  N      -1.901435     -2.125832      5.268704
  N      -0.799565     -2.014857      5.144890
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5658515-4aaE/orca E -7240.581030285054
  N      -3.346328     -3.722481      2.630889
  C      -2.908929     -4.572997      1.522302
  C      -2.647987     -5.979452      2.038891
  N      -3.724837     -6.377600      2.977824
  C      -5.006113     -6.670853      2.285210
  C      -6.183869     -6.508086      3.240300
  N      -5.977449     -5.322469      4.085342
  Mo     -4.104333     -4.647730      4.232529
  N      -2.908899     -5.672556      5.479414
  C      -2.402937     -6.954998      4.989148
  C      -3.317098     -7.479023      3.885738
  H      -2.373650     -7.721790      5.786701
  H      -1.363166     -6.864327      4.614791
  H      -4.237853     -7.871903      4.338995
  H      -2.839082     -8.296427      3.314908
  H      -7.092927     -6.429123      2.615866
  H      -6.313544     -7.431270      3.842577
  H      -5.099870     -5.938909      1.471209
  H      -4.993368     -7.683009      1.837574
  H      -1.976865     -4.201712      1.057933
  H      -3.660499     -4.607024      0.705024
  H      -1.710607     -5.991413      2.611821
  H      -2.555699     -6.700459      1.203532
  C      -2.256164     -0.117882      1.810108
  C      -2.260844     -1.646235      1.759580
  C      -3.555747     -2.317917      2.264487
  C      -4.737490     -2.178902      1.278605
  N      -5.310667     -0.849539      1.293703
  C      -6.337151     -0.465232      0.460426
  C      -6.809779     -1.292598     -0.581527
  C      -7.831538     -0.839860     -1.416388
  C      -8.414365      0.415661     -1.251310
  C      -7.951477      1.237181     -0.209911
  S      -8.629894      2.847556      0.103390
  C      -6.928547      0.804949      0.632226
  C      -9.455204     -5.275092      5.831570
  C      -8.338188     -5.797178      4.927004
  C      -7.178100     -4.797620      4.764289
  C      -7.664504     -3.469006      4.125835
  N      -7.764050     -2.420794      5.139883
  C      -8.333076     -1.182817      4.846300
  C      -8.525497     -0.739211      3.525023
  C      -9.069661      0.525765      3.295137
  C      -9.425746      1.373103      4.341680
  C      -9.232405      0.932743      5.661567
  S      -9.644731      1.929601      7.069896
  C      -8.693933     -0.330521      5.909097
  C      -0.150961     -6.515278      7.362785
  C      -0.838278     -5.226369      6.903627
  C      -2.380832     -5.232033      6.771300
  C      -3.062655     -5.965717      7.939957
  N      -4.498418     -5.803464      7.810034
  C      -5.385136     -6.419689      8.676708
  C      -6.742901     -6.539165      8.306315
  C      -7.661383     -7.111435      9.176687
  C      -7.272013     -7.584219     10.433997
  C      -5.925677     -7.477904     10.803414
  S      -5.321341     -8.055664     12.367331
  C      -4.985369     -6.906756      9.934666
  H      -1.264648      0.274883      1.541541
  H      -2.489732      0.244337      2.824235
  H      -2.992310      0.317850      1.121891
  H      -1.437340     -2.032080      2.379116
  H      -2.058267     -1.976678      0.727536
  H      -3.849738     -1.805329      3.200076
  H      -4.392438     -2.400255      0.254131
  H      -5.490805     -2.953587      1.537309
  H      -5.227546     -0.335326      2.165963
  H      -6.384905     -2.283947     -0.732207
  H      -8.188580     -1.490510     -2.217462
  H      -9.211956      0.751790     -1.914230
  H      -9.600906      2.788198     -0.836386
  H      -6.580706      1.443268      1.447910
  H     -10.241097     -6.032677      5.961919
  H      -9.933932     -4.376417      5.414571
  H      -9.074423     -5.019511      6.833640
  H      -8.759965     -6.046244      3.940482
  H      -7.940281     -6.735912      5.344373
  H      -6.862251     -4.538115      5.793268
  H      -8.629201     -3.611551      3.599304
  H      -6.923376     -3.164605      3.371400
  H      -8.036337     -2.776540      6.055042
  H      -8.255797     -1.370866      2.679669
  H      -9.219671      0.862340      2.268336
  H      -9.845483      2.358315      4.136338
  H     -10.132667      2.981115      6.373068
  H      -8.547765     -0.668875      6.938512
  H      -0.336511     -7.361055      6.687587
  H      -0.478148     -6.815691      8.368978
  H       0.937761     -6.365142      7.408802
  H      -0.578041     -4.427658      7.617763
  H      -0.428293     -4.906292      5.933098
  H      -2.686687     -4.177622      6.859440
  H      -2.779864     -7.036945      7.953783
  H      -2.716287     -5.527899      8.890798
  H      -4.780080     -5.829405      6.825005
  H      -7.057030     -6.175771      7.327746
  H      -8.707126     -7.195278      8.873012
  H      -8.002272     -8.029705     11.110064
  H      -6.507868     -8.512199     12.828766
  H      -3.940922     -6.836552     10.239303
  N      -4.691189     -2.963105      5.674173
  H      -4.752422     -3.381416      6.613220
  H      -5.620288     -2.549109      5.499809
  H      -4.012750     -2.194540      5.749606
  N      -1.867650     -2.140399      5.266557
  N      -0.761969     -2.072182      5.146137
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5658515-4aaE/orca E -7240.581101225060
  N      -3.370180     -3.724423      2.634273
  C      -2.932556     -4.573461      1.523767
  C      -2.666962     -5.981651      2.038664
  N      -3.741150     -6.381533      2.979256
  C      -5.023143     -6.674836      2.287318
  C      -6.200579     -6.514465      3.242924
  N      -5.993015     -5.333655      4.094792
  Mo     -4.121056     -4.653952      4.236079
  N      -2.916463     -5.673836      5.478000
  C      -2.413603     -6.957277      4.987379
  C      -3.331720     -7.481771      3.888030
  H      -2.381712     -7.723447      5.785394
  H      -1.375280     -6.867465      4.608934
  H      -4.251567     -7.872436      4.345072
  H      -2.856367     -8.301030      3.317612
  H      -7.109705     -6.431581      2.619027
  H      -6.330621     -7.440379      3.840681
  H      -5.117921     -5.941543      1.474639
  H      -5.009589     -7.686242      1.838069
  H      -2.001544     -4.199541      1.059350
  H      -3.684821     -4.607692      0.707233
  H      -1.728272     -5.992555      2.609440
  H      -2.575552     -6.702007      1.202718
  C      -2.252023     -0.123265      1.855832
  C      -2.271029     -1.650094      1.775322
  C      -3.570976     -2.318781      2.272459
  C      -4.746617     -2.170281      1.282145
  N      -5.310067     -0.836789      1.297076
  C      -6.320446     -0.438570      0.450807
  C      -6.782217     -1.254165     -0.604843
  C      -7.787285     -0.787056     -1.452185
  C      -8.364870      0.470534     -1.284868
  C      -7.913248      1.279879     -0.228923
  S      -8.590476      2.889076      0.092115
  C      -6.905527      0.834237      0.624470
  C      -9.458600     -5.295901      5.860183
  C      -8.346034     -5.815511      4.949041
  C      -7.194345     -4.809151      4.771001
  C      -7.692705     -3.489773      4.120938
  N      -7.786411     -2.432639      5.126934
  C      -8.351516     -1.194653      4.821704
  C      -8.532968     -0.757773      3.496961
  C      -9.071990      0.507796      3.257330
  C      -9.433042      1.360293      4.298083
  C      -9.250188      0.926179      5.621439
  S      -9.672359      1.930154      7.021614
  C      -8.717064     -0.337678      5.878383
  C      -0.140430     -6.506071      7.337350
  C      -0.838088     -5.219520      6.886650
  C      -2.381829     -5.231990      6.767097
  C      -3.051964     -5.969481      7.941917
  N      -4.489751     -5.812446      7.824108
  C      -5.368131     -6.429093      8.698217
  C      -6.732049     -6.539310      8.348365
  C      -7.639401     -7.112715      9.229554
  C      -7.233559     -7.595735     10.478232
  C      -5.881203     -7.497836     10.827624
  S      -5.254812     -8.087329     12.379246
  C      -4.952039     -6.925744      9.947647
  H      -1.258430      0.266061      1.589849
  H      -2.477222      0.220181      2.878292
  H      -2.987249      0.332823      1.179815
  H      -1.449038     -2.055334      2.384514
  H      -2.075113     -1.962814      0.736468
  H      -3.867175     -1.809118      3.208972
  H      -4.397860     -2.391273      0.259118
  H      -5.505285     -2.939578      1.535205
  H      -5.240038     -0.331242      2.175460
  H      -6.362068     -2.247335     -0.756941
  H      -8.135904     -1.428038     -2.264692
  H      -9.150674      0.816936     -1.956524
  H      -9.539665      2.848633     -0.870741
  H      -6.565615      1.464129      1.450053
  H     -10.239765     -6.056626      6.000195
  H      -9.945043     -4.401319      5.443026
  H      -9.071066     -5.034058      6.857604
  H      -8.774464     -6.073062      3.967521
  H      -7.938071     -6.749469      5.367278
  H      -6.876117     -4.535329      5.795276
  H      -8.661908     -3.640841      3.604804
  H      -6.959430     -3.189248      3.357869
  H      -8.073417     -2.781392      6.040280
  H      -8.259357     -1.395063      2.657084
  H      -9.213957      0.840057      2.228117
  H      -9.850051      2.345159      4.085436
  H     -10.143184      2.983030      6.315206
  H      -8.577464     -0.672493      6.909904
  H      -0.327750     -7.351240      6.661923
  H      -0.456883     -6.810338      8.345771
  H       0.947847     -6.350060      7.373650
  H      -0.575048     -4.420920      7.599921
  H      -0.437742     -4.895776      5.913256
  H      -2.692153     -4.179005      6.857725
  H      -2.763696     -7.039228      7.953296
  H      -2.699642     -5.529533      8.889539
  H      -4.777653     -5.834479      6.839522
  H      -7.059475     -6.166693      7.377711
  H      -8.690171     -7.189567      8.941643
  H      -7.955655     -8.041572     11.162715
  H      -6.435318     -8.544276     12.855506
  H      -3.902651     -6.863478     10.236649
  N      -4.709229     -2.966557      5.674421
  H      -4.759378     -3.372600      6.617311
  H      -5.643019     -2.561510      5.502509
  H      -4.036132     -2.192044      5.737319
  N      -1.889006     -2.132713      5.274598
  N      -0.783365     -2.055860      5.157892
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5658515-4aaE/orca E -7240.581142489033
  N      -3.381158     -3.724590      2.633210
  C      -2.942499     -4.571805      1.521895
  C      -2.672006     -5.979936      2.036304
  N      -3.743509     -6.382061      2.979020
  C      -5.026774     -6.677762      2.289293
  C      -6.202401     -6.519990      3.247659
  N      -5.995152     -5.338804      4.099448
  Mo     -4.124868     -4.656341      4.237033
  N      -2.916639     -5.674801      5.478114
  C      -2.412508     -6.956576      4.985678
  C      -3.330731     -7.481640      3.887202
  H      -2.378428     -7.724114      5.782384
  H      -1.374697     -6.864790      4.606166
  H      -4.249249     -7.874223      4.345272
  H      -2.854397     -8.299958      3.316247
  H      -7.113563     -6.439771      2.626469
  H      -6.327941     -7.446203      3.845835
  H      -5.124590     -5.944158      1.477268
  H      -5.011801     -7.688940      1.839725
  H      -2.012952     -4.195234      1.056505
  H      -3.695341     -4.608473      0.706062
  H      -1.732280     -5.988528      2.605406
  H      -2.580621     -6.700129      1.200268
  C      -2.262883     -0.120830      1.878422
  C      -2.284961     -1.646278      1.777402
  C      -3.583342     -2.318442      2.274878
  C      -4.759922     -2.168561      1.286371
  N      -5.318891     -0.833292      1.298234
  C      -6.320300     -0.429748      0.444328
  C      -6.779556     -1.243041     -0.613857
  C      -7.776787     -0.770367     -1.467651
  C      -8.349461      0.489804     -1.303329
  C      -7.899703      1.297000     -0.244740
  S      -8.572859      2.908146      0.074068
  C      -6.898636      0.846687      0.613940
  C      -9.452614     -5.300083      5.878100
  C      -8.344067     -5.820513      4.962804
  C      -7.194386     -4.813345      4.777685
  C      -7.696194     -3.496482      4.124243
  N      -7.789749     -2.436191      5.127109
  C      -8.352771     -1.198142      4.817006
  C      -8.526000     -0.763383      3.490466
  C      -9.061488      0.502977      3.246314
  C      -9.426738      1.356609      4.284717
  C      -9.252688      0.924062      5.609694
  S      -9.684447      1.930296      7.005160
  C      -8.723033     -0.340516      5.871196
  C      -0.136263     -6.505523      7.330161
  C      -0.837438     -5.218977      6.884289
  C      -2.381453     -5.233366      6.767192
  C      -3.048127     -5.973195      7.942674
  N      -4.486252     -5.821662      7.826303
  C      -5.362887     -6.437505      8.701876
  C      -6.726932     -6.548769      8.352476
  C      -7.634107     -7.119763      9.235065
  C      -7.228791     -7.599215     10.485248
  C      -5.876474     -7.500082     10.834163
  S      -5.250949     -8.082612     12.388626
  C      -4.946907     -6.931053      9.952626
  H      -1.271386      0.271457      1.608954
  H      -2.478711      0.208053      2.907591
  H      -3.003042      0.345255      1.214625
  H      -1.459938     -2.061115      2.376189
  H      -2.096439     -1.946034      0.733355
  H      -3.879544     -1.811476      3.212886
  H      -4.412962     -2.392955      0.263723
  H      -5.521088     -2.934697      1.542955
  H      -5.256526     -0.330258      2.178467
  H      -6.364569     -2.238826     -0.763208
  H      -8.123784     -1.409344     -2.282436
  H      -9.130304      0.839629     -1.978970
  H      -9.515720      2.872521     -0.895181
  H      -6.558982      1.476280      1.439902
  H     -10.233447     -6.060267      6.022617
  H      -9.940469     -4.405641      5.462117
  H      -9.059812     -5.037099      6.873444
  H      -8.776089     -6.080206      3.983366
  H      -7.933580     -6.753519      5.380670
  H      -6.873205     -4.535787      5.800126
  H      -8.666477     -3.650338      3.610726
  H      -6.964778     -3.196762      3.359466
  H      -8.082139     -2.782315      6.039642
  H      -8.249785     -1.403290      2.653470
  H      -9.197560      0.833912      2.215917
  H      -9.842386      2.341459      4.069096
  H     -10.138952      2.986364      6.292940
  H      -8.588964     -0.675056      6.903464
  H      -0.322308     -7.348912      6.652169
  H      -0.450405     -6.813700      8.338074
  H       0.951584     -6.346236      7.365131
  H      -0.573886     -4.422008      7.599249
  H      -0.439228     -4.891897      5.911112
  H      -2.693152     -4.180874      6.859383
  H      -2.755063     -7.041556      7.953882
  H      -2.696086     -5.531348      8.889439
  H      -4.774908     -5.844083      6.842169
  H      -7.054401     -6.178397      7.380877
  H      -8.684860     -7.197751      8.947265
  H      -7.951017     -8.042551     11.171161
  H      -6.430542     -8.543280     12.863604
  H      -3.897621     -6.869124     10.241949
  N      -4.713550     -2.968654      5.675163
  H      -4.761826     -3.372466      6.618672
  H      -5.648028     -2.564683      5.504265
  H      -4.041081     -2.193266      5.735829
  N      -1.887598     -2.138234      5.275088
  N      -0.782615     -2.058789      5.152881
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5658515-4aaE/orca E -7240.581207944688
  N      -3.389767     -3.718330      2.634655
  C      -2.949755     -4.562149      1.521647
  C      -2.674588     -5.970627      2.034213
  N      -3.743646     -6.375440      2.978591
  C      -5.028672     -6.671419      2.291566
  C      -6.201276     -6.517459      3.253992
  N      -5.994528     -5.335907      4.105374
  Mo     -4.124458     -4.652735      4.240650
  N      -2.913734     -5.672929      5.479714
  C      -2.409596     -6.952767      4.983206
  C      -3.327810     -7.475953      3.884354
  H      -2.374613     -7.723136      5.777214
  H      -1.371970     -6.859303      4.603461
  H      -4.244910     -7.871774      4.342430
  H      -2.850186     -8.292153      3.311384
  H      -7.115121     -6.441258      2.636486
  H      -6.320421     -7.444224      3.852657
  H      -5.129790     -5.935450      1.482097
  H      -5.013159     -7.681447      1.839613
  H      -2.021778     -4.181934      1.055705
  H      -3.703079     -4.601068      0.706500
  H      -1.734035     -5.977730      2.601956
  H      -2.583277     -6.689928      1.197458
  C      -2.265806     -0.112899      1.927755
  C      -2.299527     -1.634282      1.781350
  C      -3.595597     -2.311783      2.279684
  C      -4.772804     -2.165466      1.292970
  N      -5.317725     -0.824301      1.282506
  C      -6.323835     -0.432279      0.427751
  C      -6.791455     -1.260314     -0.614531
  C      -7.793719     -0.797891     -1.468638
  C      -8.363636      0.465072     -1.318089
  C      -7.904661      1.287231     -0.274812
  S      -8.574238      2.902952      0.026300
  C      -6.896998      0.848411      0.582069
  C      -9.452527     -5.290327      5.880552
  C      -8.345770     -5.811096      4.963520
  C      -7.192824     -4.807228      4.782012
  C      -7.690048     -3.489220      4.126893
  N      -7.790685     -2.429808      5.129647
  C      -8.347725     -1.189888      4.816566
  C      -8.502857     -0.752206      3.488786
  C      -9.031723      0.516459      3.241251
  C      -9.407253      1.367417      4.278191
  C      -9.251674      0.931473      5.604237
  S      -9.702994      1.935166      6.995099
  C      -8.728749     -0.335435      5.869288
  C      -0.133275     -6.512947      7.328744
  C      -0.834853     -5.224365      6.888590
  C      -2.379216     -5.236643      6.771114
  C      -3.045530     -5.980247      7.944770
  N      -4.483679     -5.833088      7.827651
  C      -5.360056     -6.449534      8.701957
  C      -6.724635     -6.558315      8.353285
  C      -7.631725     -7.129743      9.235363
  C      -7.226997     -7.612183     10.484710
  C      -5.874249     -7.515526     10.832621
  S      -5.249112     -8.099477     12.386822
  C      -4.944195     -6.946642      9.951541
  H      -1.278132      0.283083      1.649542
  H      -2.458127      0.184358      2.971009
  H      -3.016142      0.376475      1.292806
  H      -1.468780     -2.071363      2.356245
  H      -2.128212     -1.905317      0.726461
  H      -3.892895     -1.807637      3.218799
  H      -4.429868     -2.410098      0.274009
  H      -5.540998     -2.919752      1.564786
  H      -5.270378     -0.320594      2.163441
  H      -6.380142     -2.259266     -0.752162
  H      -8.147639     -1.447805     -2.271714
  H      -9.149488      0.805681     -1.992635
  H      -9.529453      2.851392     -0.930051
  H      -6.548450      1.491419      1.393941
  H     -10.235306     -6.048571      6.024327
  H      -9.937808     -4.393241      5.467125
  H      -9.057276     -5.030533      6.875851
  H      -8.777660     -6.065188      3.982495
  H      -7.938986     -6.747504      5.377320
  H      -6.873231     -4.530163      5.805268
  H      -8.657348     -3.642106      3.607285
  H      -6.953274     -3.189203      3.367665
  H      -8.088155     -2.775745      6.040401
  H      -8.219779     -1.392474      2.654412
  H      -9.154766      0.849779      2.210012
  H      -9.819628      2.353324      4.060712
  H     -10.128913      2.999580      6.277751
  H      -8.607276     -0.673970      6.901676
  H      -0.316730     -7.352611      6.645502
  H      -0.448461     -6.827213      8.334393
  H       0.954135     -6.351200      7.365960
  H      -0.570176     -4.430975      7.607187
  H      -0.436136     -4.892983      5.917130
  H      -2.689872     -4.184012      6.867000
  H      -2.748226     -7.047401      7.954516
  H      -2.694454     -5.538205      8.891805
  H      -4.770871     -5.850284      6.842773
  H      -7.052160     -6.185232      7.382764
  H      -8.682769     -7.206257      8.948012
  H      -7.949615     -8.055065     11.170422
  H      -6.427450     -8.567103     12.858144
  H      -3.894633     -6.888710     10.240612
  N      -4.710984     -2.963066      5.677263
  H      -4.759745     -3.362084      6.622306
  H      -5.643864     -2.555275      5.507005
  H      -4.034834     -2.190417      5.733967
  N      -1.873656     -2.159782      5.270611
  N      -0.768257     -2.094665      5.142402
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5658515-4aaE/orca E -7240.581254373184
  N      -3.391015     -3.712233      2.633032
  C      -2.949552     -4.553556      1.519349
  C      -2.670731     -5.961330      2.031350
  N      -3.737642     -6.367675      2.977733
  C      -5.024457     -6.664514      2.294063
  C      -6.193785     -6.513442      3.260834
  N      -5.987192     -5.329834      4.108924
  Mo     -4.117142     -4.646625      4.242405
  N      -2.906230     -5.669114      5.481547
  C      -2.400867     -6.946847      4.980898
  C      -3.318760     -7.468875      3.881209
  H      -2.364882     -7.719972      5.772243
  H      -1.363278     -6.851369      4.601362
  H      -4.234553     -7.867912      4.339051
  H      -2.839699     -8.283005      3.306411
  H      -7.110439     -6.442156      2.647135
  H      -6.306913     -7.439804      3.861547
  H      -5.129080     -5.926966      1.486476
  H      -5.008843     -7.673760      1.840434
  H      -2.023218     -4.169993      1.052539
  H      -3.703316     -4.595442      0.704836
  H      -1.729395     -5.966804      2.597835
  H      -2.579598     -6.680455      1.194431
  C      -2.267732     -0.106281      1.963137
  C      -2.312825     -1.622657      1.774389
  C      -3.604025     -2.306045      2.279367
  C      -4.786511     -2.168264      1.298551
  N      -5.321226     -0.822929      1.264541
  C      -6.334518     -0.444010      0.410134
  C      -6.814386     -1.289257     -0.612182
  C      -7.823792     -0.839210     -1.464774
  C      -8.388663      0.427843     -1.331353
  C      -7.917197      1.267420     -0.307647
  S      -8.578861      2.890457     -0.029796
  C      -6.901909      0.841109      0.546644
  C      -9.449522     -5.270333      5.875357
  C      -8.343686     -5.793435      4.958593
  C      -7.183414     -4.796473      4.785353
  C      -7.670317     -3.473174      4.133800
  N      -7.777644     -2.418640      5.141112
  C      -8.334573     -1.178079      4.830961
  C      -8.472302     -0.730375      3.504450
  C      -9.000811      0.539067      3.259795
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  C      -9.254898      0.934123      5.623300
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  C      -8.732122     -0.333490      5.885614
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  C      -0.831078     -5.232642      6.900491
  C      -2.375232     -5.239045      6.776499
  C      -3.047367     -5.984294      7.945630
  N      -4.484841     -5.838702      7.821647
  C      -5.364076     -6.455540      8.692622
  C      -6.725448     -6.574375      8.334258
  C      -7.635631     -7.146963      9.212352
  C      -7.237548     -7.620921     10.466969
  C      -5.887841     -7.514843     10.824087
  S      -5.270940     -8.087832     12.385587
  C      -4.954530     -6.944675      9.947344
  H      -1.285333      0.294294      1.672983
  H      -2.433994      0.160886      3.018866
  H      -3.029675      0.403574      1.358912
  H      -1.474338     -2.079043      2.322557
  H      -2.162044     -1.866087      0.709585
  H      -3.899692     -1.802741      3.219333
  H      -4.452967     -2.436657      0.282721
  H      -5.558597     -2.911120      1.591605
  H      -5.278011     -0.310586      2.141232
  H      -6.407664     -2.291810     -0.735985
  H      -8.187459     -1.502280     -2.252593
  H      -9.180218      0.758415     -2.004230
  H      -9.544795      2.823853     -0.974339
  H      -6.543055      1.498385      1.342440
  H     -10.236771     -6.024677      6.014835
  H      -9.928881     -4.368775      5.464680
  H      -9.054066     -5.016841      6.872315
  H      -8.773968     -6.038771      3.974615
  H      -7.944842     -6.735274      5.367876
  H      -6.865204     -4.525405      5.810640
  H      -8.632649     -3.620527      3.603567
  H      -6.924629     -3.171947      3.383860
  H      -8.080072     -2.769336      6.048372
  H      -8.177534     -1.364455      2.669402
  H      -9.110737      0.879781      2.229509
  H      -9.805494      2.366533      4.083971
  H     -10.142280      2.996676      6.298449
  H      -8.623189     -0.680663      6.916550
  H      -0.314118     -7.360720      6.651350
  H      -0.456260     -6.842686      8.341832
  H       0.952849     -6.363291      7.384288
  H      -0.566510     -4.442474      7.622732
  H      -0.426900     -4.899579      5.932001
  H      -2.682694     -4.185576      6.875189
  H      -2.749020     -7.051184      7.955536
  H      -2.700637     -5.542724      8.894541
  H      -4.767126     -5.855317      6.835487
  H      -7.047777     -6.208565      7.359222
  H      -8.684049     -7.231475      8.917678
  H      -7.962665     -8.064529     11.149542
  H      -6.448356     -8.567544     12.846958
  H      -3.907419     -6.880278     10.243905
  N      -4.701578     -2.957623      5.680401
  H      -4.755021     -3.359281      6.624580
  H      -5.630434     -2.540021      5.512746
  H      -4.017842     -2.191803      5.739137
  N      -1.862517     -2.197773      5.251258
  N      -0.758478     -2.152060      5.103678
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5658515-4aaE/orca E -7240.581121253025
  N      -3.395570     -3.705477      2.639727
  C      -2.953772     -4.542141      1.523131
  C      -2.668281     -5.949925      2.031427
  N      -3.730484     -6.360976      2.981277
  C      -5.019184     -6.660458      2.302238
  C      -6.185362     -6.513786      3.273595
  N      -5.979149     -5.328812      4.119559
  Mo     -4.109867     -4.644050      4.251559
  N      -2.895623     -5.668473      5.487430
  C      -2.386254     -6.941807      4.979549
  C      -3.305001     -7.463411      3.880220
  H      -2.345321     -7.718597      5.767082
  H      -1.349888     -6.840726      4.598083
  H      -4.218080     -7.867347      4.339146
  H      -2.824422     -8.274030      3.301700
  H      -7.104271     -6.445572      2.663083
  H      -6.293851     -7.440269      3.875132
  H      -5.128803     -5.921537      1.496594
  H      -5.002477     -7.668773      1.846590
  H      -2.030591     -4.152969      1.054606
  H      -3.709399     -4.586153      0.710505
  H      -1.724828     -5.953600      2.594425
  H      -2.578322     -6.667232      1.192847
  C      -2.278309     -0.098352      2.003173
  C      -2.333133     -1.608962      1.774799
  C      -3.616987     -2.299802      2.290081
  C      -4.808444     -2.168534      1.319722
  N      -5.333616     -0.819639      1.270997
  C      -6.359947     -0.450745      0.425757
  C      -6.855397     -1.307579     -0.579160
  C      -7.878676     -0.867793     -1.420431
  C      -8.442616      0.400184     -1.291761
  C      -7.956088      1.251270     -0.284864
  S      -8.615370      2.876440     -0.013499
  C      -6.926378      0.835039      0.557237
  C      -9.452731     -5.238523      5.864156
  C      -8.344937     -5.772822      4.956122
  C      -7.176028     -4.785061      4.786645
  C      -7.647533     -3.462020      4.123938
  N      -7.761906     -2.400745      5.123782
  C      -8.309436     -1.159618      4.799214
  C      -8.416729     -0.714054      3.468942
  C      -8.934355      0.557021      3.210097
  C      -9.345749      1.401744      4.238356
  C      -9.238949      0.957923      5.566671
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  C      -8.726514     -0.310848      5.843030
  C      -0.132003     -6.536660      7.353049
  C      -0.825361     -5.242615      6.915705
  C      -2.368795     -5.245910      6.785851
  C      -3.044627     -5.996806      7.948124
  N      -4.481962     -5.853086      7.819044
  C      -5.362468     -6.474314      8.685903
  C      -6.720500     -6.605568      8.319191
  C      -7.631847     -7.181910      9.193856
  C      -7.237925     -7.647543     10.452832
  C      -5.891229     -7.529764     10.817965
  S      -5.279650     -8.091329     12.385844
  C      -4.956977     -6.955698      9.944851
  H      -1.302375      0.308175      1.699794
  H      -2.418027      0.140396      3.069428
  H      -3.052790      0.428952      1.430611
  H      -1.485195     -2.081532      2.293844
  H      -2.205322     -1.825108      0.701090
  H      -3.907685     -1.798666      3.232596
  H      -4.488476     -2.456158      0.304937
  H      -5.581941     -2.900999      1.633157
  H      -5.285679     -0.300392      2.143738
  H      -6.450247     -2.311329     -0.698079
  H      -8.254392     -1.539845     -2.194855
  H      -9.245234      0.722651     -1.955413
  H      -9.596498      2.798840     -0.941333
  H      -6.555912      1.500981      1.340379
  H     -10.246779     -5.986252      6.000588
  H      -9.922482     -4.334488      5.447880
  H      -9.061573     -4.985523      6.862881
  H      -8.770741     -6.018436      3.970288
  H      -7.955738     -6.716335      5.370909
  H      -6.862724     -4.510987      5.812511
  H      -8.602650     -3.606593      3.580349
  H      -6.889359     -3.169642      3.382980
  H      -8.076996     -2.744562      6.029497
  H      -8.106443     -1.351361      2.641931
  H      -9.020016      0.895515      2.176664
  H      -9.749360      2.389546      4.013005
  H     -10.134307      3.024936      6.217047
  H      -8.640833     -0.656476      6.876746
  H      -0.308162     -7.369954      6.660159
  H      -0.459482     -6.859167      8.352107
  H       0.954985     -6.376006      7.404481
  H      -0.562411     -4.455338      7.641669
  H      -0.416468     -4.907198      5.950180
  H      -2.675094     -4.192915      6.889718
  H      -2.745108     -7.063424      7.955189
  H      -2.702412     -5.558138      8.900006
  H      -4.760241     -5.868660      6.831672
  H      -7.039440     -6.246804      7.340482
  H      -8.677711     -7.275716      8.893045
  H      -7.963952     -8.093780     11.132738
  H      -6.455679     -8.580316     12.840934
  H      -3.912353     -6.881599     10.247949
  N      -4.693196     -2.960251      5.696127
  H      -4.749594     -3.367902      6.637747
  H      -5.618728     -2.533390      5.533626
  H      -4.002615     -2.200957      5.759042
  N      -1.864297     -2.238060      5.235979
  N      -0.763171     -2.209348      5.063623
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5658515-4aaE/orca E -7240.581302014922
  N      -3.384986     -3.706563      2.631862
  C      -2.943510     -4.546726      1.517874
  C      -2.661746     -5.953726      2.029448
  N      -3.725810     -6.359917      2.979289
  C      -5.014254     -6.656922      2.299258
  C      -6.181233     -6.505473      3.268828
  N      -5.973192     -5.319521      4.113019
  Mo     -4.101920     -4.639443      4.246138
  N      -2.892147     -5.664754      5.485164
  C      -2.384115     -6.939582      4.979199
  C      -3.303480     -7.461927      3.880329
  H      -2.344499     -7.714909      5.768185
  H      -1.347550     -6.840361      4.597957
  H      -4.217766     -7.862959      4.339390
  H      -2.824311     -8.274520      3.303439
  H      -7.099143     -6.435458      2.657059
  H      -6.293302     -7.430520      3.871870
  H      -5.120856     -5.919066      1.492272
  H      -4.999806     -7.666021      1.845226
  H      -2.019209     -4.159985      1.049720
  H      -3.698188     -4.590967      0.704375
  H      -1.718674     -5.958644      2.593075
  H      -2.573176     -6.673062      1.192484
  C      -2.258339     -0.105487      1.986196
  C      -2.319018     -1.615794      1.756891
  C      -3.603624     -2.302174      2.276515
  C      -4.795418     -2.172723      1.306232
  N      -5.307057     -0.819452      1.243219
  C      -6.341093     -0.457138      0.403942
  C      -6.847559     -1.323346     -0.587469
  C      -7.875839     -0.889619     -1.425482
  C      -8.433956      0.381986     -1.306953
  C      -7.936652      1.242647     -0.313776
  S      -8.587246      2.873610     -0.055745
  C      -6.902340      0.831687      0.525443
  C      -9.445476     -5.240829      5.862059
  C      -8.338836     -5.768320      4.948362
  C      -7.170143     -4.779155      4.784266
  C      -7.643960     -3.451655      4.132843
  N      -7.763236     -2.400204      5.142528
  C      -8.324164     -1.160962      4.834560
  C      -8.450181     -0.703750      3.509829
  C      -8.985471      0.563224      3.268027
  C      -9.395453      1.394732      4.307515
  C      -9.269449      0.939884      5.630435
  S      -9.766984      1.918286      7.023554
  C      -8.740481     -0.325484      5.889652
  C      -0.140643     -6.540128      7.364939
  C      -0.826537     -5.244946      6.920150
  C      -2.368913     -5.242873      6.784340
  C      -3.050695     -5.991233      7.943211
  N      -4.487480     -5.841575      7.810069
  C      -5.371983     -6.461083      8.674568
  C      -6.729391     -6.590197      8.305202
  C      -7.643771     -7.163442      9.179120
  C      -7.252884     -7.627852     10.439575
  C      -5.906625     -7.512482     10.807365
  S      -5.298864     -8.072330     12.377658
  C      -4.969833     -6.941529      9.934979
  H      -1.282224      0.297849      1.679159
  H      -2.393144      0.133720      3.052949
  H      -3.033564      0.424456      1.417045
  H      -1.470594     -2.091098      2.272357
  H      -2.195974     -1.831131      0.682488
  H      -3.892471     -1.796002      3.216786
  H      -4.479559     -2.473988      0.294033
  H      -5.573841     -2.895161      1.628453
  H      -5.252975     -0.292832      2.111112
  H      -6.446439     -2.329670     -0.698196
  H      -8.260029     -1.569218     -2.189061
  H      -9.240240      0.700168     -1.968239
  H      -9.581606      2.786465     -0.968480
  H      -6.524352      1.503809      1.299570
  H     -10.239775     -5.989357      5.992771
  H      -9.915311     -4.333257      5.453845
  H      -9.053722     -4.996437      6.862409
  H      -8.766667     -6.007308      3.961837
  H      -7.948441     -6.714475      5.355963
  H      -6.855657     -4.512287      5.811630
  H      -8.597810     -3.594228      3.586819
  H      -6.885940     -3.150921      3.394783
  H      -8.063536     -2.754478      6.049391
  H      -8.141422     -1.329446      2.673367
  H      -9.086601      0.909390      2.238531
  H      -9.811489      2.380197      4.095115
  H     -10.185811      2.988717      6.310898
  H      -8.642099     -0.679586      6.919343
  H      -0.317768     -7.375344      6.674577
  H      -0.473643     -6.857470      8.363830
  H       0.946877     -6.384538      7.420495
  H      -0.563965     -4.455960      7.644298
  H      -0.412236     -4.914847      5.955197
  H      -2.671677     -4.189299      6.886642
  H      -2.756283     -7.059285      7.951485
  H      -2.709896     -5.554037      8.896257
  H      -4.762957     -5.857273      6.821614
  H      -7.045889     -6.232404      7.325485
  H      -8.689269     -7.255068      8.876503
  H      -7.981217     -8.071441     11.118800
  H      -6.477998     -8.552512     12.834043
  H      -3.925764     -6.867657     10.240096
  N      -4.681423     -2.951219      5.687080
  H      -4.742243     -3.358170      6.628720
  H      -5.603716     -2.517982      5.522612
  H      -3.985563     -2.196914      5.751024
  N      -1.855828     -2.248939      5.215872
  N      -0.755171     -2.234844      5.038411
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5658515-4aaE/orca E -7240.581307077516
  N      -3.391611     -3.707730      2.629201
  C      -2.943746     -4.548828      1.517967
  C      -2.660038     -5.954613      2.032264
  N      -3.726284     -6.362552      2.978880
  C      -5.011641     -6.662556      2.293903
  C      -6.183498     -6.511834      3.257935
  N      -5.979630     -5.327327      4.105615
  Mo     -4.111078     -4.641643      4.242020
  N      -2.900405     -5.660696      5.484382
  C      -2.388816     -6.935836      4.982761
  C      -3.304751     -7.462255      3.883069
  H      -2.349225     -7.708901      5.773875
  H      -1.351768     -6.835265      4.603222
  H      -4.219732     -7.863293      4.340823
  H      -2.823122     -8.275318      3.308964
  H      -7.098547     -6.440525      2.641930
  H      -6.298412     -7.437601      3.859172
  H      -5.116108     -5.926258      1.485216
  H      -4.993572     -7.672247      1.841343
  H      -2.018536     -4.160585      1.052923
  H      -3.695195     -4.595492      0.701603
  H      -1.718775     -5.956434      2.598885
  H      -2.566840     -6.674715      1.196447
  C      -2.266832     -0.104955      1.976313
  C      -2.322903     -1.617181      1.757975
  C      -3.609877     -2.303824      2.271585
  C      -4.797348     -2.174014      1.295242
  N      -5.314992     -0.822652      1.236796
  C      -6.344887     -0.459964      0.393243
  C      -6.838653     -1.322143     -0.608217
  C      -7.862107     -0.888240     -1.451946
  C      -8.427606      0.379786     -1.329980
  C      -7.943568      1.236082     -0.326565
  S      -8.604696      2.861936     -0.063229
  C      -6.914652      0.824792      0.519084
  C      -9.453583     -5.263749      5.851452
  C      -8.346407     -5.784166      4.934473
  C      -7.178484     -4.793061      4.777860
  C      -7.650477     -3.460488      4.135580
  N      -7.760748     -2.415297      5.152278
  C      -8.309054     -1.168816      4.852503
  C      -8.432921     -0.702800      3.530741
  C      -8.953177      0.571924      3.297281
  C      -9.350793      1.402795      4.342167
  C      -9.226814      0.938997      5.662205
  S      -9.707137      1.915503      7.062738
  C      -8.712787     -0.334168      5.913020
  C      -0.143762     -6.515849      7.368149
  C      -0.836800     -5.225815      6.919357
  C      -2.379679     -5.233127      6.783249
  C      -3.058642     -5.982186      7.944182
  N      -4.496143     -5.837158      7.812269
  C      -5.378272     -6.457884      8.678314
  C      -6.736619     -6.585918      8.312622
  C      -7.648666     -7.160790      9.187854
  C      -7.254380     -7.627982     10.446185
  C      -5.907326     -7.512984     10.810808
  S      -5.295077     -8.077525     12.377594
  C      -4.972886     -6.940346      9.937016
  H      -1.287459      0.296651      1.677504
  H      -2.414259      0.142755      3.039488
  H      -3.036072      0.420054      1.394773
  H      -1.477451     -2.086871      2.283417
  H      -2.190404     -1.839694      0.686185
  H      -3.903469     -1.797392      3.210421
  H      -4.473777     -2.467789      0.283238
  H      -5.575221     -2.900988      1.608306
  H      -5.265953     -0.299195      2.106846
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  H      -6.547102      1.493205      1.301500
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  H      -9.922251     -4.352308      5.450517
  H      -9.063134     -5.028394      6.854552
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  H      -7.955333     -6.732700      5.335746
  H      -6.864986     -4.532865      5.807277
  H      -8.607252     -3.595658      3.592572
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  H      -8.063674     -2.772746      6.056788
  H      -8.132271     -1.326589      2.689870
  H      -9.051570      0.925667      2.270125
  H      -9.754711      2.394566      4.135943
  H     -10.120085      2.993282      6.357778
  H      -8.616312     -0.694694      6.940704
  H      -0.317944     -7.354580      6.681318
  H      -0.473846     -6.831017      8.368713
  H       0.943146     -6.355323      7.421675
  H      -0.578870     -4.433022      7.641040
  H      -0.424195     -4.896266      5.953396
  H      -2.688308     -4.180608      6.882752
  H      -2.761069     -7.049251      7.954077
  H      -2.719002     -5.542749      8.896660
  H      -4.772524     -5.855545      6.824218
  H      -7.055916     -6.225853      7.334657
  H      -8.694898     -7.251840      8.887635
  H      -7.980770     -8.073663     11.126132
  H      -6.473611     -8.556061     12.837259
  H      -3.927989     -6.867048     10.239289
  N      -4.700984     -2.953154      5.678700
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  H      -5.626082     -2.528131      5.509495
  H      -4.011382     -2.192965      5.741168
  N      -1.862462     -2.213496      5.223999
  N      -0.760612     -2.189435      5.054753
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5658515-4aaE/orca E -7240.581328110729
  N      -3.393251     -3.709086      2.630178
  C      -2.947822     -4.550520      1.518047
  C      -2.664077     -5.956765      2.031453
  N      -3.728535     -6.364049      2.980341
  C      -5.015221     -6.663810      2.297856
  C      -6.185307     -6.511823      3.263789
  N      -5.979372     -5.326811      4.110499
  Mo     -4.110044     -4.643078      4.244325
  N      -2.898094     -5.663207      5.484356
  C      -2.387859     -6.938375      4.981592
  C      -3.306168     -7.464077      3.883755
  H      -2.346951     -7.711556      5.772501
  H      -1.351566     -6.837994      4.599931
  H      -4.220751     -7.863957      4.343375
  H      -2.826500     -8.277687      3.308801
  H      -7.101155     -6.439668      2.649053
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  H      -5.120844     -5.928283      1.488639
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  H      -3.700461     -4.596247      0.702726
  H      -1.721507     -5.959468      2.595869
  H      -2.573419     -6.676807      1.195298
  C      -2.255332     -0.110354      1.982407
  C      -2.319524     -1.621412      1.757943
  C      -3.607705     -2.304537      2.273726
  C      -4.796706     -2.169536      1.299791
  N      -5.306820     -0.815072      1.241599
  C      -6.338106     -0.447546      0.401755
  C      -6.838627     -1.306809     -0.598915
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  C      -7.657264     -3.465112      4.131944
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  C      -9.245925      0.939722      5.629498
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  C      -5.899669     -7.517687     10.813661
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  H      -1.274579      0.287356      1.682926
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  H      -4.476459     -2.465520      0.287419
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  H      -5.253399     -0.292221      2.111821
  H      -6.435514     -2.311741     -0.714968
  H      -8.242256     -1.542316     -2.209697
  H      -9.225983      0.724625     -1.977275
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  H      -9.919559     -4.353155      5.459375
  H      -9.057301     -5.020322      6.865809
  H      -8.771797     -6.026318      3.963297
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  H      -6.862920     -4.523240      5.809204
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  H      -8.154784     -1.345801      2.671218
  H      -9.085551      0.898756      2.237009
  H      -9.786254      2.380555      4.093476
  H     -10.148742      2.994134      6.312478
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  H      -0.315659     -7.358467      6.678694
  H      -0.467779     -6.834463      8.366272
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  H      -0.573648     -4.436569      7.638581
  H      -0.421083     -4.899954      5.950795
  H      -2.684398     -4.183928      6.883611
  H      -2.757419     -7.053681      7.952745
  H      -2.712741     -5.548238      8.896838
  H      -4.769537     -5.857581      6.827183
  H      -7.052803     -6.224245      7.341289
  H      -8.690260     -7.249999      8.895750
  H      -7.973242     -8.076232     11.131760
  H      -6.464043     -8.561293     12.840349
  H      -3.920517     -6.873681     10.239361
  N      -4.695811     -2.954151      5.682503
  H      -4.753861     -3.357251      6.625885
  H      -5.620847     -2.528361      5.514534
  H      -4.005290     -2.194708      5.743577
  N      -1.864263     -2.222529      5.218381
  N      -0.763148     -2.202031      5.044105
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5658515-4aaE/orca E -7240.581339939001
  N      -3.396490     -3.706553      2.629750
  C      -2.949578     -4.547215      1.517763
  C      -2.662056     -5.952641      2.031350
  N      -3.724448     -6.361615      2.981933
  C      -5.011505     -6.663445      2.300925
  C      -6.180897     -6.512297      3.267861
  N      -5.975588     -5.326169      4.113347
  Mo     -4.107022     -4.641462      4.246345
  N      -2.894012     -5.661031      5.486211
  C      -2.381361     -6.934628      4.982015
  C      -3.299512     -7.461343      3.884596
  H      -2.338212     -7.708468      5.772170
  H      -1.345551     -6.831702      4.599638
  H      -4.213194     -7.862547      4.344873
  H      -2.819164     -8.274071      3.308956
  H      -7.097279     -6.441326      2.653841
  H      -6.294398     -7.437193      3.870656
  H      -5.118854     -5.928609      1.491338
  H      -4.993678     -7.673814      1.849915
  H      -2.026038     -4.156974      1.050976
  H      -3.702336     -4.595292      0.702685
  H      -1.718617     -5.953367      2.594326
  H      -2.571432     -6.672782      1.195278
  C      -2.254822     -0.109935      1.996426
  C      -2.327002     -1.617624      1.752606
  C      -3.612623     -2.302385      2.273471
  C      -4.804619     -2.168780      1.303376
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  N      -4.492184     -5.842168      7.813034
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  C      -5.903062     -7.519405     10.811116
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  C      -4.968807     -6.946056      9.937650
  H      -1.275528      0.288167      1.692740
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  H      -3.025962      0.431856      1.432978
  H      -1.477906     -2.102536      2.257949
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  H      -4.490680     -2.477822      0.293021
  H      -5.590739     -2.881598      1.629031
  H      -5.248113     -0.283288      2.100568
  H      -6.450541     -2.319198     -0.704428
  H      -8.266080     -1.556713     -2.191979
  H      -9.242781      0.714347     -1.969530
  H      -9.580121      2.801064     -0.967784
  H      -6.520469      1.513070      1.294552
  H     -10.244767     -6.004948      5.984739
  H      -9.914921     -4.346568      5.456931
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  H      -7.947155     -6.727057      5.354684
  H      -6.861396     -4.522143      5.811014
  H      -8.607222     -3.605104      3.589145
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  H      -8.068396     -2.762800      6.049012
  H      -8.139587     -1.340447      2.670834
  H      -9.065722      0.905110      2.234746
  H      -9.773880      2.386047      4.089341
  H     -10.149288      2.996245      6.307574
  H      -8.631419     -0.680951      6.916767
  H      -0.317064     -7.359665      6.684387
  H      -0.471497     -6.836890      8.372166
  H       0.946260     -6.363647      7.425204
  H      -0.573590     -4.438104      7.646133
  H      -0.417760     -4.900738      5.958465
  H      -2.683072     -4.183832      6.888248
  H      -2.757708     -7.055197      7.952435
  H      -2.715682     -5.551009      8.898625
  H      -4.769026     -5.861190      6.825128
  H      -7.051378     -6.234439      7.334102
  H      -8.689931     -7.261105      8.886440
  H      -7.976146     -8.081956     11.125492
  H      -6.470438     -8.557723     12.839585
  H      -3.924185     -6.871286     10.240477
  N      -4.692915     -2.953112      5.685431
  H      -4.752686     -3.357048      6.628359
  H      -5.616643     -2.524349      5.517711
  H      -3.999933     -2.196037      5.747186
  N      -1.872316     -2.244495      5.202015
  N      -0.773434     -2.235789      5.013197
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5658515-4aaE/orca E -7240.581348879999
  N      -3.403909     -3.705212      2.629751
  C      -2.955398     -4.545243      1.517881
  C      -2.663842     -5.949879      2.031521
  N      -3.724054     -6.361106      2.983631
  C      -5.011305     -6.665059      2.303825
  C      -6.180291     -6.514870      3.271418
  N      -5.975599     -5.328366      4.116818
  Mo     -4.108084     -4.641956      4.248410
  N      -2.893039     -5.660274      5.487245
  C      -2.378344     -6.932707      4.982164
  C      -3.296678     -7.460509      3.885515
  H      -2.332915     -7.706736      5.771950
  H      -1.343145     -6.827534      4.598685
  H      -4.209542     -7.862534      4.346740
  H      -2.816122     -8.272590      3.309149
  H      -7.096879     -6.444038      2.657725
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  H      -5.120225     -5.931116      1.493674
  H      -4.992325     -7.675773      1.853678
  H      -2.033003     -4.152648      1.050751
  H      -3.708163     -4.595417      0.702911
  H      -1.719541     -5.948417      2.593049
  H      -2.572972     -6.669956      1.195405
  C      -2.252670     -0.111961      2.011092
  C      -2.334404     -1.616363      1.750339
  C      -3.619220     -2.300925      2.274280
  C      -4.812596     -2.165477      1.306447
  N      -5.301055     -0.803441      1.227207
  C      -6.340238     -0.439747      0.393958
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  S      -8.574843      2.898550     -0.064025
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  C      -7.654657     -3.467676      4.132477
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  C      -4.966056     -6.949869      9.939072
  H      -1.272704      0.284076      1.706874
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  H      -9.246563      0.722245     -1.967518
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  H      -9.763246      2.386437      4.072609
  H     -10.141936      3.001779      6.289913
  H      -8.632411     -0.676541      6.909021
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  H      -4.770267     -5.865662      6.826490
  H      -7.051594     -6.240371      7.337309
  H      -8.687534     -7.269361      8.890431
  H      -7.970971     -8.090273     11.128718
  H      -6.463937     -8.562168     12.842545
  H      -3.921316     -6.873570     10.241146
  N      -4.695534     -2.954687      5.688423
  H      -4.754984     -3.358206      6.631542
  H      -5.619628     -2.526892      5.520326
  H      -4.002934     -2.197254      5.749229
  N      -1.868128     -2.244083      5.194598
  N      -0.771290     -2.242947      4.993449
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5658515-4aaE/orca E -7240.549456402402
  N      -3.417290     -3.703394      2.630239
  C      -2.965477     -4.541968      1.518450
  C      -2.668246     -5.945708      2.031924
  N      -3.726279     -6.361116      2.984657
  C      -5.013142     -6.668161      2.305032
  C      -6.182502     -6.520838      3.272656
  N      -5.979728     -5.335209      4.120168
  Mo     -4.114534     -4.644036      4.250011
  N      -2.895691     -5.659146      5.487469
  C      -2.377978     -6.930176      4.981998
  C      -3.295676     -7.459816      3.885787
  H      -2.330011     -7.704234      5.771535
  H      -1.343362     -6.822095      4.597714
  H      -4.207469     -7.863603      4.347634
  H      -2.813956     -8.270736      3.308782
  H      -7.099057     -6.450029      2.658906
  H      -6.294066     -7.446607      3.874278
  H      -5.123849     -5.934688      1.494738
  H      -4.991629     -7.678922      1.855149
  H      -2.044315     -4.146056      1.051639
  H      -3.717629     -4.594896      0.703080
  H      -1.723518     -5.940796      2.592716
  H      -2.575386     -6.665284      1.195554
  C      -2.256621     -0.112250      2.033104
  C      -2.346379     -1.612931      1.753888
  C      -3.631323     -2.298542      2.276968
  C      -4.823565     -2.159630      1.308654
  N      -5.302799     -0.794415      1.223051
  C      -6.338338     -0.427569      0.386491
  C      -6.853592     -1.293364     -0.600836
  C      -7.880333     -0.855200     -1.438256
  C      -8.428637      0.421050     -1.323210
  C      -7.923590      1.281044     -0.333582
  S      -8.563131      2.916349     -0.076388
  C      -6.890798      0.865122      0.505197
  C      -9.449564     -5.279808      5.873656
  C      -8.340976     -5.801484      4.959134
  C      -7.181571     -4.803020      4.790183
  C      -7.665707     -3.481154      4.134794
  N      -7.776942     -2.423604      5.137961
  C      -8.315715     -1.178027      4.820882
  C      -8.435953     -0.728967      3.492685
  C      -8.947428      0.545857      3.241734
  C      -9.339019      1.394702      4.274580
  C      -9.218899      0.947732      5.600739
  S      -9.689615      1.946575      6.988766
  C      -8.714949     -0.325888      5.869117
  C      -0.138958     -6.508054      7.374744
  C      -0.834789     -5.219777      6.925523
  C      -2.378121     -5.232885      6.788033
  C      -3.054381     -5.988630      7.945854
  N      -4.492976     -5.847772      7.817077
  C      -5.370068     -6.472382      8.685851
  C      -6.729317     -6.602908      8.325007
  C      -7.637177     -7.180884      9.202620
  C      -7.237525     -7.648801     10.458865
  C      -5.889527     -7.531140     10.819022
  S      -5.270443     -8.097369     12.382299
  C      -4.959405     -6.955332      9.942738
  H      -1.274982      0.282363      1.732406
  H      -2.380254      0.094312      3.107868
  H      -3.025059      0.451545      1.487790
  H      -1.494391     -2.116715      2.235256
  H      -2.246823     -1.792119      0.670397
  H      -3.917721     -1.792284      3.218105
  H      -4.514497     -2.484283      0.301828
  H      -5.620999     -2.855390      1.642483
  H      -5.248041     -0.264866      2.089539
  H      -6.459955     -2.302966     -0.708494
  H      -8.270958     -1.534646     -2.198704
  H      -9.233962      0.743048     -1.983827
  H      -9.558103      2.835661     -0.989169
  H      -6.506661      1.535783      1.277740
  H     -10.246075     -6.027745      5.994371
  H      -9.916535     -4.368178      5.470991
  H      -9.061500     -5.044264      6.877575
  H      -8.769976     -6.048097      3.974995
  H      -7.941447     -6.742646      5.369334
  H      -6.867509     -4.530444      5.816167
  H      -8.624560     -3.628166      3.598343
  H      -6.915802     -3.182489      3.388011
  H      -8.080650     -2.767726      6.047284
  H      -8.140340     -1.365648      2.659672
  H      -9.043788      0.885292      2.209669
  H      -9.735242      2.386461      4.054091
  H     -10.105835      3.013902      6.269950
  H      -8.623543     -0.672924      6.901935
  H      -0.314478     -7.348096      6.689780
  H      -0.465880     -6.822141      8.376730
  H       0.948105     -6.347429      7.424951
  H      -0.579956     -4.425742      7.646869
  H      -0.422115     -4.889811      5.959836
  H      -2.691529     -4.182007      6.890745
  H      -2.753804     -7.054877      7.951212
  H      -2.716322     -5.552749      8.900486
  H      -4.773427     -5.870987      6.830270
  H      -7.053417     -6.242186      7.348770
  H      -8.684155     -7.273432      8.905483
  H      -7.960457     -8.097579     11.140479
  H      -6.448402     -8.570073     12.849391
  H      -3.913738     -6.879428     10.241660
  N      -4.705990     -2.958005      5.690266
  H      -4.762882     -3.359247      6.634366
  H      -5.632291     -2.535638      5.520600
  H      -4.017204     -2.196990      5.748335
  N      -1.886150     -2.249511      5.188541
  N      -0.791163     -2.252022      4.977559
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5658515-4aaE/orca E -7240.581265339133
  N      -3.457740     -3.698056      2.631674
  C      -2.994287     -4.531980      1.520727
  C      -2.680284     -5.932632      2.034027
  N      -3.733089     -6.361836      2.986525
  C      -5.017577     -6.678515      2.305222
  C      -6.189609     -6.540766      3.271195
  N      -5.994248     -5.358360      4.126269
  Mo     -4.136917     -4.651502      4.252972
  N      -2.907569     -5.656044      5.487412
  C      -2.379502     -6.922760      4.981928
  C      -3.293398     -7.458389      3.885506
  H      -2.324887     -7.696611      5.771004
  H      -1.346151     -6.805649      4.596782
  H      -4.202288     -7.868385      4.347721
  H      -2.806796     -8.265159      3.306887
  H      -7.105185     -6.470091      2.655936
  H      -6.297993     -7.469701      3.868075
  H      -5.132628     -5.946257      1.494565
  H      -4.987363     -7.689230      1.855851
  H      -2.076289     -4.126337      1.055923
  H      -3.743471     -4.593289      0.703156
  H      -1.735483     -5.916692      2.594500
  H      -2.579130     -6.650342      1.196852
  C      -2.279781     -0.109371      2.090632
  C      -2.384609     -1.600502      1.767826
  C      -3.669767     -2.291519      2.285049
  C      -4.856276     -2.143318      1.312401
  N      -5.315773     -0.771533      1.213063
  C      -6.335563     -0.394907      0.361922
  C      -6.840646     -1.253958     -0.636355
  C      -7.851275     -0.806290     -1.488344
  C      -8.394074      0.472607     -1.376664
  C      -7.899872      1.325378     -0.375275
  S      -8.537723      2.960954     -0.117092
  C      -6.882154      0.900570      0.477295
  C      -9.455851     -5.340582      5.896285
  C      -8.347093     -5.850677      4.975608
  C      -7.199978     -4.839495      4.799662
  C      -7.698358     -3.522548      4.144046
  N      -7.791007     -2.457890      5.140893
  C      -8.298602     -1.201822      4.814210
  C      -8.413359     -0.762588      3.482020
  C      -8.893022      0.522542      3.221245
  C      -9.256958      1.391402      4.247652
  C      -9.141645      0.954370      5.577367
  S      -9.578930      1.977877      6.958297
  C      -8.670414     -0.329820      5.856036
  C      -0.134166     -6.467344      7.372347
  C      -0.846874     -5.189035      6.920503
  C      -2.390952     -5.221823      6.786324
  C      -3.056722     -5.983494      7.947121
  N      -4.497228     -5.854604      7.826149
  C      -5.363457     -6.482615      8.703655
  C      -6.726428     -6.611867      8.356194
  C      -7.625618     -7.192309      9.240724
  C      -7.213969     -7.663833     10.491747
  C      -5.862798     -7.545835     10.839307
  S      -5.228833     -8.117077     12.394294
  C      -4.940885     -6.967981      9.955565
  H      -1.292303      0.282261      1.805417
  H      -2.406106      0.066970      3.170203
  H      -3.038840      0.479965      1.559351
  H      -1.530732     -2.124443      2.223718
  H      -2.297515     -1.747453      0.678435
  H      -3.959836     -1.790449      3.227950
  H      -4.544013     -2.478994      0.310324
  H      -5.668474     -2.820876      1.644694
  H      -5.271331     -0.242973      2.080775
  H      -6.451608     -2.265620     -0.741621
  H      -8.234020     -1.480380     -2.257545
  H      -9.187921      0.801553     -2.047638
  H      -9.511754      2.893696     -1.053333
  H      -6.507446      1.565034      1.259788
  H     -10.249224     -6.092461      6.012995
  H      -9.927632     -4.428137      5.500931
  H      -9.066715     -5.110001      6.901068
  H      -8.779039     -6.103670      3.994426
  H      -7.934765     -6.786591      5.385080
  H      -6.884392     -4.562968      5.824109
  H      -8.668099     -3.671464      3.625164
  H      -6.962384     -3.227110      3.382833
  H      -8.103758     -2.790048      6.051354
  H      -8.139775     -1.414236      2.653146
  H      -8.985187      0.854258      2.186529
  H      -9.628976      2.390599      4.018681
  H      -9.971347      3.048953      6.231719
  H      -8.584274     -0.668474      6.891975
  H      -0.306039     -7.312982      6.693627
  H      -0.450492     -6.779000      8.378453
  H       0.951670     -6.296005      7.413401
  H      -0.600196     -4.389673      7.638772
  H      -0.440837     -4.856694      5.952693
  H      -2.717099     -4.174370      6.887539
  H      -2.746504     -7.046990      7.949443
  H      -2.718382     -5.546830      8.901189
  H      -4.786848     -5.887824      6.842428
  H      -7.060632     -6.246912      7.384727
  H      -8.675380     -7.283856      8.953148
  H      -7.929900     -8.115321     11.178899
  H      -6.402954     -8.587886     12.872817
  H      -3.892522     -6.892722     10.244910
  N      -4.743168     -2.970564      5.694400
  H      -4.792305     -3.366151      6.641033
  H      -5.677181     -2.568318      5.518379
  H      -4.069239     -2.196247      5.745692
  N      -1.950429     -2.262323      5.175808
  N      -0.860943     -2.270799      4.938694
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5658515-4aaE/orca E -7235.781351747732
  N      -3.416400     -3.698895      2.632312
  C      -2.965541     -4.534462      1.518552
  C      -2.666441     -5.938221      2.029786
  N      -3.723684     -6.356273      2.982271
  C      -5.011176     -6.662393      2.303997
  C      -6.178583     -6.518902      3.274339
  N      -5.976411     -5.333990      4.121973
  Mo     -4.110548     -4.641458      4.251974
  N      -2.892175     -5.660063      5.487767
  C      -2.373616     -6.929326      4.978368
  C      -3.290595     -7.456852      3.879930
  H      -2.325938     -7.705907      5.765605
  H      -1.338698     -6.819856      4.595396
  H      -4.201139     -7.865110      4.340181
  H      -2.806818     -8.264637      3.300221
  H      -7.096628     -6.450172      2.662550
  H      -6.287190     -7.445749      3.875094
  H      -5.123625     -5.925786      1.496789
  H      -4.989871     -7.671545      1.850465
  H      -2.045741     -4.136764      1.050415
  H      -3.718982     -4.587952      0.704442
  H      -1.721870     -5.932778      2.590867
  H      -2.572489     -6.656369      1.192299
  C      -2.259910     -0.107273      2.053454
  C      -2.352868     -1.604126      1.755088
  C      -3.634521     -2.293772      2.281573
  C      -4.829398     -2.160168      1.316524
  N      -5.303657     -0.794266      1.219351
  C      -6.342713     -0.433444      0.383576
  C      -6.868173     -1.308717     -0.589708
  C      -7.899146     -0.876253     -1.424954
  C      -8.441662      0.403385     -1.320955
  C      -7.925926      1.273249     -0.345533
  S      -8.557100      2.914296     -0.104008
  C      -6.888369      0.863132      0.490293
  C      -9.452960     -5.272045      5.862453
  C      -8.342005     -5.795514      4.951671
  C      -7.179198     -4.799672      4.788474
  C      -7.658474     -3.476439      4.132652
  N      -7.770304     -2.419183      5.136544
  C      -8.310988     -1.173566      4.820395
  C      -8.429839     -0.722208      3.492809
  C      -8.944541      0.551601      3.243075
  C      -9.340885      1.396784      4.276885
  C      -9.221864      0.947965      5.602523
  S      -9.700077      1.943224      6.990508
  C      -8.713687     -0.324247      5.869691
  C      -0.143312     -6.526329      7.376160
  C      -0.831676     -5.233726      6.928249
  C      -2.374055     -5.237748      6.788805
  C      -3.054114     -5.991812      7.944771
  N      -4.492003     -5.848229      7.813780
  C      -5.370264     -6.471389      8.682873
  C      -6.728598     -6.606430      8.319566
  C      -7.636953     -7.183007      9.197674
  C      -7.238675     -7.644866     10.456720
  C      -5.891439     -7.523446     10.818767
  S      -5.274315     -8.080398     12.386368
  C      -4.960872     -6.949085      9.941949
  H      -1.282221      0.292715      1.746993
  H      -2.371229      0.083859      3.132337
  H      -3.034659      0.462955      1.523946
  H      -1.497040     -2.114572      2.222231
  H      -2.263768     -1.770015      0.668540
  H      -3.919220     -1.789241      3.223905
  H      -4.526557     -2.496488      0.311650
  H      -5.626779     -2.851158      1.660778
  H      -5.246797     -0.258064      2.081694
  H      -6.479656     -2.321198     -0.688264
  H      -8.298096     -1.563061     -2.174379
  H      -9.250463      0.720635     -1.979633
  H      -9.558121      2.826926     -1.009437
  H      -6.496042      1.541824      1.251547
  H     -10.248703     -6.020501      5.984651
  H      -9.920128     -4.362121      5.456235
  H      -9.066567     -5.032788      6.866021
  H      -8.767188     -6.039351      3.965185
  H      -7.946549     -6.738340      5.362106
  H      -6.868748     -4.528704      5.815846
  H      -8.616549     -3.619804      3.592297
  H      -6.904896     -3.179856      3.388447
  H      -8.075866     -2.764512      6.045057
  H      -8.131717     -1.357260      2.659498
  H      -9.039298      0.892299      2.211167
  H      -9.740156      2.387671      4.057823
  H     -10.111207      3.012833      6.272106
  H      -8.621307     -0.672809      6.901948
  H      -0.320015     -7.363932      6.688317
  H      -0.474886     -6.841414      8.376280
  H       0.944127     -6.369663      7.430193
  H      -0.573756     -4.442738      7.651859
  H      -0.415778     -4.903993      5.964038
  H      -2.682193     -4.185803      6.892694
  H      -2.755435     -7.058728      7.949988
  H      -2.716094     -5.556533      8.899645
  H      -4.771131     -5.871442      6.826513
  H      -7.051092     -6.250420      7.341272
  H      -8.683274     -7.278921      8.899327
  H      -7.962094     -8.091526     11.139198
  H      -6.451327     -8.556919     12.851936
  H      -3.915942     -6.870081     10.242731
  N      -4.701216     -2.958692      5.695389
  H      -4.759392     -3.363322      6.638162
  H      -5.626753     -2.533446      5.527925
  H      -4.010542     -2.199549      5.755778
  N      -1.859093     -2.254225      5.195887
  N      -0.765279     -2.265395      4.977913
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5658515-4aaE/orca E -7240.581294845736
  N      -3.413814     -3.701580      2.630222
  C      -2.964361     -4.537379      1.516424
  C      -2.666228     -5.941316      2.027897
  N      -3.723641     -6.358216      2.980888
  C      -5.011437     -6.663981      2.303588
  C      -6.178524     -6.519475      3.274371
  N      -5.975842     -5.334438      4.120849
  Mo     -4.108638     -4.642507      4.250284
  N      -2.890710     -5.661560      5.486840
  C      -2.372792     -6.931152      4.977482
  C      -3.290582     -7.458582      3.879081
  H      -2.325555     -7.707776      5.764945
  H      -1.337778     -6.822405      4.594621
  H      -4.201039     -7.866599      4.339667
  H      -2.807111     -8.266810      3.299680
  H      -7.096792     -6.450829      2.662759
  H      -6.287775     -7.446041      3.875684
  H      -5.123668     -5.927460      1.496269
  H      -4.990986     -7.673268      1.850304
  H      -2.044488     -4.140263      1.047747
  H      -3.718217     -4.590620      0.702655
  H      -1.721584     -5.936329      2.588844
  H      -2.572941     -6.659797      1.190667
  C      -2.254919     -0.111676      2.050333
  C      -2.348622     -1.608479      1.752000
  C      -3.630883     -2.296493      2.279266
  C      -4.826154     -2.162205      1.314540
  N      -5.298462     -0.795655      1.218688
  C      -6.339240     -0.433082      0.385279
  C      -6.868944     -1.306023     -0.587945
  C      -7.901968     -0.870743     -1.419134
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  C      -7.922823      1.276946     -0.335891
  S      -8.551477      2.918393     -0.089428
  C      -6.883036      0.863897      0.495777
  C      -9.451993     -5.269715      5.861112
  C      -8.341331     -5.795196      4.950936
  C      -7.178961     -4.799207      4.786288
  C      -7.660235     -3.477533      4.128391
  N      -7.773201     -2.418838      5.131327
  C      -8.316673     -1.173631      4.815802
  C      -8.438460     -0.720664      3.488971
  C      -8.956525      0.552245      3.241431
  C      -9.353227      1.395223      4.276773
  C      -9.231113      0.945120      5.601752
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  C      -8.719549     -0.326122      5.866519
  C      -0.143043     -6.524285      7.382736
  C      -0.831993     -5.233165      6.931603
  C      -2.373650     -5.238782      6.787652
  C      -3.053875     -5.992268      7.943132
  N      -4.491306     -5.847637      7.811812
  C      -5.370252     -6.469599      8.681174
  C      -6.728617     -6.605349      8.318223
  C      -7.636742     -7.180786      9.197476
  C      -7.237895     -7.640506     10.457193
  C      -5.890508     -7.518611     10.818628
  S      -5.272655     -8.072375     12.387240
  C      -4.960342     -6.945546      9.940585
  H      -1.277655      0.288659      1.743033
  H      -2.365154      0.079335      3.129394
  H      -3.030374      0.458023      1.521207
  H      -1.492921     -2.119300      2.218675
  H      -2.260528     -1.774875      0.665403
  H      -3.914282     -1.791441      3.221474
  H      -4.524872     -2.499211      0.309288
  H      -5.626625     -2.853102      1.660381
  H      -5.239453     -0.259978      2.081316
  H      -6.482270     -2.318856     -0.689533
  H      -8.304182     -1.555761     -2.168440
  H      -9.253138      0.728715     -1.966685
  H      -9.555759      2.833606     -0.991412
  H      -6.487888      1.540560      1.257274
  H     -10.247512     -6.018004      5.985647
  H      -9.919403     -4.360723      5.453105
  H      -9.064942     -5.028168      6.863804
  H      -8.766431     -6.040762      3.964776
  H      -7.945381     -6.737192      5.362921
  H      -6.868890     -4.526359      5.813104
  H      -8.618652     -3.621980      3.588245
  H      -6.906921     -3.181747      3.383220
  H      -8.078086     -2.764133      6.040478
  H      -8.140235     -1.354323      2.654651
  H      -9.053656      0.893595      2.209823
  H      -9.755134      2.385488      4.059725
  H     -10.123924      3.007508      6.274574
  H      -8.624294     -0.676035      6.898175
  H      -0.314507     -7.362521      6.693901
  H      -0.478928     -6.840037      8.381257
  H       0.943674     -6.364707      7.442109
  H      -0.581436     -4.435882      7.660949
  H      -0.412804     -4.902343      5.969278
  H      -2.682040     -4.187296      6.890938
  H      -2.755170     -7.059294      7.949129
  H      -2.716323     -5.556067      8.897746
  H      -4.769551     -5.870135      6.824478
  H      -7.051063     -6.250987      7.339530
  H      -8.683183     -7.277328      8.899836
  H      -7.961101     -8.085904     11.140727
  H      -6.449370     -8.548194     12.854233
  H      -3.915285     -6.865973     10.240995
  N      -4.697838     -2.959494      5.693299
  H      -4.756196     -3.364071      6.635955
  H      -5.623269     -2.532765      5.527179
  H      -4.006136     -2.201111      5.753489
  N      -1.849794     -2.257910      5.192489
  N      -0.755262     -2.270286      4.975611
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5658515-4aaE/orca E -7240.581138776904
  N      -3.450688     -3.699787      2.631015
  C      -2.987899     -4.535446      1.520696
  C      -2.678694     -5.937022      2.034153
  N      -3.734162     -6.363905      2.984781
  C      -5.018521     -6.678332      2.301731
  C      -6.191290     -6.538683      3.266805
  N      -5.995307     -5.356132      4.122159
  Mo     -4.137148     -4.652552      4.249821
  N      -2.910336     -5.659150      5.484840
  C      -2.384076     -6.926952      4.980763
  C      -3.297991     -7.461259      3.884088
  H      -2.331581     -7.700250      5.770323
  H      -1.350262     -6.811893      4.596169
  H      -4.208244     -7.869217      4.345522
  H      -2.812429     -8.268928      3.305922
  H      -7.106358     -6.467492      2.650885
  H      -6.300490     -7.467306      3.863864
  H      -5.131880     -5.946261      1.490612
  H      -4.989557     -7.689238      1.852708
  H      -2.067916     -4.133210      1.057025
  H      -3.736145     -4.594037      0.701999
  H      -1.734809     -5.923604      2.596237
  H      -2.577871     -6.654924      1.197048
  C      -2.291015     -0.102942      2.068851
  C      -2.380545     -1.600210      1.770505
  C      -3.665851     -2.293995      2.282697
  C      -4.849160     -2.146440      1.305802
  N      -5.324484     -0.779107      1.220173
  C      -6.338710     -0.400651      0.364906
  C      -6.828298     -1.253510     -0.646336
  C      -7.833001     -0.804152     -1.504491
  C      -8.384415      0.470526     -1.387154
  C      -7.905360      1.317055     -0.373096
  S      -8.554758      2.946813     -0.107794
  C      -6.894638      0.890418      0.486686
  C      -9.452720     -5.340350      5.900776
  C      -8.346927     -5.848912      4.975994
  C      -7.198663     -4.838856      4.801125
  C      -7.695503     -3.517820      4.151929
  N      -7.792016     -2.457649      5.152399
  C      -8.298247     -1.201381      4.826923
  C      -8.408248     -0.760989      3.494852
  C      -8.884196      0.525438      3.233795
  C      -9.249643      1.394266      4.259803
  C      -9.139774      0.955585      5.589445
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  C      -0.127752     -6.458358      7.368945
  C      -0.847549     -5.183568      6.918130
  C      -2.392927     -5.222987      6.783488
  C      -3.057999     -5.985219      7.945959
  N      -4.498988     -5.855902      7.826861
  C      -5.365478     -6.482447      8.704942
  C      -6.728789     -6.607103      8.357566
  C      -7.629715     -7.185403      9.241490
  C      -7.219522     -7.659824     10.491705
  C      -5.868363     -7.545309     10.839784
  S      -5.236183     -8.122550     12.392835
  C      -4.944449     -6.969471      9.956799
  H      -1.302713      0.290693      1.789358
  H      -2.432233      0.091012      3.143527
  H      -3.047710      0.472075      1.518957
  H      -1.528380     -2.110236      2.245390
  H      -2.278459     -1.764380      0.684992
  H      -3.960528     -1.793786      3.224940
  H      -4.527827     -2.466765      0.301564
  H      -5.656913     -2.834554      1.624803
  H      -5.283218     -0.255352      2.090528
  H      -6.431570     -2.261690     -0.757138
  H      -8.203642     -1.473495     -2.283714
  H      -9.173316      0.800891     -2.063217
  H      -9.519933      2.881232     -1.053361
  H      -6.531646      1.549965      1.278927
  H     -10.245982     -6.092309      6.018048
  H      -9.925322     -4.426981      5.508613
  H      -9.060673     -5.111893      6.905279
  H      -8.781418     -6.098009      3.995020
  H      -7.935478     -6.786732      5.381805
  H      -6.880107     -4.568181      5.826554
  H      -8.663229     -3.664969      3.630822
  H      -6.958611     -3.217682      3.394027
  H      -8.106338     -2.792836      6.060627
  H      -8.132073     -1.411931      2.666173
  H      -8.972087      0.858669      2.199379
  H      -9.618926      2.394375      4.030434
  H      -9.966202      3.051409      6.243674
  H      -8.593040     -0.669764      6.904317
  H      -0.294513     -7.303659      6.688939
  H      -0.443162     -6.773316      8.374233
  H       0.957169     -6.281516      7.411095
  H      -0.607547     -4.382962      7.638293
  H      -0.442375     -4.846754      5.951277
  H      -2.721610     -4.175517      6.883781
  H      -2.747946     -7.048558      7.948242
  H      -2.718352     -5.549082      8.899895
  H      -4.790735     -5.890145      6.843949
  H      -7.062090     -6.240262      7.386113
  H      -8.679592     -7.274115      8.953429
  H      -7.936551     -8.111232     11.177774
  H      -6.410999     -8.594562     12.868490
  H      -3.895959     -6.897863     10.246189
  N      -4.740922     -2.970767      5.691561
  H      -4.791585     -3.368179      6.637479
  H      -5.674366     -2.569254      5.512367
  H      -4.068201     -2.195686      5.746233
  N      -1.971399     -2.267270      5.176477
  N      -0.880465     -2.267487      4.948734
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5658515-4aaE/orca E -7240.581363145800
  N      -3.433580     -3.695503      2.632338
  C      -2.978329     -4.528992      1.518500
  C      -2.671199     -5.931544      2.029090
  N      -3.725304     -6.355354      2.982542
  C      -5.012381     -6.666158      2.304935
  C      -6.180092     -6.526839      3.275688
  N      -5.981247     -5.342805      4.126038
  Mo     -4.118314     -4.643480      4.253380
  N      -2.894978     -5.658585      5.487045
  C      -2.371116     -6.924944      4.976468
  C      -3.287010     -7.454980      3.878704
  H      -2.319382     -7.701881      5.762931
  H      -1.337129     -6.810365      4.592394
  H      -4.195742     -7.866455      4.339785
  H      -2.801125     -8.260526      3.297694
  H      -7.098214     -6.458943      2.663923
  H      -6.286266     -7.454882      3.874840
  H      -5.128020     -5.930352      1.497470
  H      -4.987460     -7.675382      1.851805
  H      -2.060369     -4.126587      1.050682
  H      -3.730915     -4.586148      0.703823
  H      -1.726039     -5.921355      2.589099
  H      -2.574647     -6.648974      1.191217
  C      -2.263196     -0.108251      2.088462
  C      -2.369950     -1.597789      1.759005
  C      -3.651571     -2.290033      2.283983
  C      -4.844791     -2.151819      1.317896
  N      -5.304587     -0.781212      1.209032
  C      -6.341543     -0.418275      0.371447
  C      -6.868270     -1.293404     -0.601102
  C      -7.896737     -0.859108     -1.438552
  C      -8.435728      0.422204     -1.337121
  C      -7.918859      1.291936     -0.362171
  S      -8.547257      2.934031     -0.121543
  C      -6.883522      0.880047      0.475515
  C      -9.452182     -5.295708      5.877572
  C      -8.342527     -5.815424      4.963241
  C      -7.185575     -4.813873      4.794201
  C      -7.672198     -3.493718      4.137126
  N      -7.775775     -2.432124      5.136690
  C      -8.303343     -1.183041      4.814254
  C      -8.419301     -0.738556      3.484182
  C      -8.919461      0.539634      3.227559
  C      -9.303872      1.396045      4.256755
  C      -9.187787      0.953834      5.584886
  S      -9.651147      1.962725      6.968067
  C      -8.694805     -0.322901      5.858937
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  C      -0.836822     -5.218152      6.931916
  C      -2.380097     -5.234428      6.789167
  C      -3.056694     -5.993649      7.944437
  N      -4.495349     -5.854181      7.816380
  C      -5.369871     -6.478700      8.688303
  C      -6.729767     -6.611663      8.330556
  C      -7.634995     -7.188892      9.211355
  C      -7.232081     -7.653650     10.467832
  C      -5.883476     -7.533625     10.824781
  S      -5.260184     -8.095368     12.388068
  C      -4.955922     -6.958652      9.945171
  H      -1.283303      0.289726      1.786431
  H      -2.368755      0.060707      3.171486
  H      -3.034785      0.480172      1.574528
  H      -1.512814     -2.123364      2.206713
  H      -2.291851     -1.740854      0.668388
  H      -3.937320     -1.787509      3.227197
  H      -4.543412     -2.498808      0.316425
  H      -5.653076     -2.828884      1.665585
  H      -5.250908     -0.244122      2.071033
  H      -6.482765     -2.307309     -0.697402
  H      -8.296719     -1.545877     -2.187471
  H      -9.243171      0.740599     -1.996901
  H      -9.546983      2.848569     -1.028659
  H      -6.490240      1.558412      1.236712
  H     -10.246103     -6.045966      6.000763
  H      -9.922425     -4.386396      5.473469
  H      -9.063785     -5.056504      6.880451
  H      -8.770642     -6.063483      3.979135
  H      -7.940681     -6.755334      5.374064
  H      -6.873372     -4.539597      5.820263
  H      -8.634878     -3.638658      3.605321
  H      -6.925510     -3.199094      3.385784
  H      -8.084081     -2.770615      6.046483
  H      -8.129945     -1.381764      2.653937
  H      -9.011915      0.874727      2.193781
  H      -9.691953      2.390091      4.032040
  H     -10.051367      3.032890      6.244396
  H      -8.605830     -0.666101      6.893199
  H      -0.307429     -7.342761      6.687407
  H      -0.468678     -6.826483      8.376486
  H       0.947841     -6.340952      7.433638
  H      -0.591244     -4.426247      7.660093
  H      -0.420562     -4.880392      5.970632
  H      -2.695596     -4.184310      6.893718
  H      -2.754291     -7.059412      7.947040
  H      -2.719306     -5.559714      8.900168
  H      -4.777625     -5.880300      6.830160
  H      -7.056266     -6.253172      7.354228
  H      -8.682547     -7.283399      8.916882
  H      -7.952957     -8.101682     11.152102
  H      -6.436031     -8.570279     12.858207
  H      -3.909792     -6.881300     10.241927
  N      -4.713930     -2.962689      5.697413
  H      -4.769877     -3.364884      6.641233
  H      -5.641763     -2.544131      5.526491
  H      -4.028078     -2.199193      5.755807
  N      -1.888327     -2.267236      5.183226
  N      -0.797949     -2.286564      4.950517
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5658515-4aaE/orca E -7240.581365817064
  N      -3.434488     -3.697637      2.632896
  C      -2.979997     -4.531031      1.518625
  C      -2.673023     -5.933767      2.028904
  N      -3.727117     -6.357875      2.982265
  C      -5.013986     -6.668822      2.304541
  C      -6.181928     -6.530014      3.275111
  N      -5.983199     -5.346752      4.126268
  Mo     -4.120458     -4.646006      4.253153
  N      -2.896093     -5.660020      5.486396
  C      -2.372443     -6.926673      4.976243
  C      -3.288559     -7.457285      3.878665
  H      -2.320478     -7.703252      5.763150
  H      -1.338540     -6.812269      4.591905
  H      -4.197113     -7.869001      4.339860
  H      -2.802484     -8.262855      3.297804
  H      -7.100022     -6.461598      2.663222
  H      -6.288502     -7.458466      3.873631
  H      -5.129586     -5.932791      1.497272
  H      -4.988858     -7.677880      1.851049
  H      -2.062114     -4.128895      1.050418
  H      -3.733020     -4.587704      0.704336
  H      -1.727886     -5.923613      2.588946
  H      -2.576335     -6.651007      1.190916
  C      -2.267301     -0.108661      2.083840
  C      -2.369532     -1.599969      1.761279
  C      -3.651552     -2.291851      2.285186
  C      -4.843934     -2.151695      1.318333
  N      -5.305440     -0.781287      1.215919
  C      -6.338675     -0.413172      0.376140
  C      -6.864013     -1.283614     -0.601547
  C      -7.888900     -0.844170     -1.440659
  C      -8.425779      0.437786     -1.336107
  C      -7.910457      1.302768     -0.356129
  S      -8.536721      2.945116     -0.111306
  C      -6.878593      0.885768      0.483310
  C      -9.453305     -5.303013      5.878383
  C      -8.342928     -5.822444      4.964700
  C      -7.188165     -4.818846      4.793801
  C      -7.678010     -3.500554      4.134990
  N      -7.779238     -2.436851      5.133055
  C      -8.307524     -1.187829      4.809413
  C      -8.427196     -0.745358      3.478941
  C      -8.928133      0.532398      3.221593
  C      -9.309737      1.390366      4.250471
  C      -9.189831      0.950322      5.578998
  S      -9.649356      1.961498      6.961792
  C      -8.695791     -0.325869      5.853735
  C      -0.138071     -6.505924      7.373424
  C      -0.836717     -5.218010      6.928169
  C      -2.379659     -5.234341      6.787238
  C      -3.054517     -5.992410      7.944004
  N      -4.493252     -5.852518      7.817857
  C      -5.367000     -6.475822      8.691389
  C      -6.727617     -6.607624      8.335914
  C      -7.632026     -7.183460      9.218457
  C      -7.227566     -7.647628     10.474645
  C      -5.878227     -7.528864     10.829277
  S      -5.253136     -8.089317     12.392323
  C      -4.951467     -6.955529      9.947753
  H      -1.287603      0.290305      1.782546
  H      -2.376226      0.065188      3.165748
  H      -3.039134      0.475420      1.565112
  H      -1.512758     -2.121898      2.213845
  H      -2.288103     -1.747963      0.671561
  H      -3.937314     -1.789845      3.228583
  H      -4.540957     -2.493286      0.315337
  H      -5.651111     -2.832174      1.661918
  H      -5.249697     -0.245637      2.078749
  H      -6.480217     -2.297863     -0.700445
  H      -8.287686     -1.527288     -2.193549
  H      -9.230443      0.760252     -1.997311
  H      -9.529218      2.867314     -1.026991
  H      -6.486689      1.560441      1.248381
  H     -10.245257     -6.054901      6.004195
  H      -9.926009     -4.395919      5.472141
  H      -9.064866     -5.060132      6.880372
  H      -8.770740     -6.072993      3.981022
  H      -7.938950     -6.760803      5.377018
  H      -6.876254     -4.542461      5.819276
  H      -8.642768     -3.646626      3.606227
  H      -6.933687     -3.206995      3.380634
  H      -8.088173     -2.774121      6.043445
  H      -8.140164     -1.389855      2.649021
  H      -9.023152      0.865948      2.187497
  H      -9.698470      2.384048      4.025256
  H     -10.051815      3.030422      6.237508
  H      -8.603338     -0.667300      6.888358
  H      -0.308183     -7.343114      6.683457
  H      -0.467473     -6.826184      8.372631
  H       0.948163     -6.341278      7.428085
  H      -0.589711     -4.425215      7.656620
  H      -0.421854     -4.880694      5.966117
  H      -2.695039     -4.184358      6.891039
  H      -2.752360     -7.058321      7.946948
  H      -2.715649     -5.557626      8.898797
  H      -4.776745     -5.878978      6.832048
  H      -7.055209     -6.249274      7.360077
  H      -8.680187     -7.276976      8.925848
  H      -7.947863     -8.094119     11.160527
  H      -6.428911     -8.561783     12.865100
  H      -3.904748     -6.878997     10.242819
  N      -4.716463     -2.965408      5.696958
  H      -4.770432     -3.367182      6.640994
  H      -5.645780     -2.549513      5.526384
  H      -4.032752     -2.199862      5.754583
  N      -1.891786     -2.262588      5.188976
  N      -0.800012     -2.276030      4.961378
