126
Coordinates from ORCA-job /scratch/magstr/orcajob__5658506-Qzcs/orca E -6458.454695709227
  N      -2.767218     -3.905827      2.941557
  C      -2.594855     -5.074379      2.114594
  C      -3.300496     -6.244577      2.793252
  N      -4.607789     -5.814354      3.279955
  C      -5.567038     -5.714496      2.185318
  C      -6.641848     -4.675252      2.498383
  N      -6.018386     -3.501959      3.062241
  Mo     -4.360329     -3.893790      4.096498
  N      -3.972720     -4.951065      5.716301
  C      -4.285244     -6.355132      5.648531
  C      -5.080040     -6.652382      4.370963
  H      -4.903671     -6.677599      6.504689
  H      -3.368104     -6.973715      5.668177
  H      -6.124947     -6.391969      4.551659
  H      -5.022146     -7.723092      4.117530
  H      -7.175692     -4.449912      1.559477
  H      -7.389024     -5.114558      3.186947
  H      -5.021834     -5.364955      1.305971
  H      -6.019135     -6.691741      1.956083
  H      -1.532670     -5.344096      1.998404
  H      -2.996243     -4.916867      1.095264
  H      -2.706965     -6.524079      3.665110
  H      -3.387353     -7.111345      2.120629
  C      -0.698834     -2.908439      1.906750
  C      -2.120165     -2.715159      2.455745
  C      -3.028891     -2.018658      1.414161
  C      -2.745432     -0.523742      1.234756
  C      -3.790998      0.101230      0.358368
  C      -5.053991      0.389094      0.864626
  C      -6.037532      0.927723      0.059508
  C      -5.787475      1.202162     -1.283691
  C      -6.833635      1.778661     -2.142251
  C      -6.530884      2.788492     -3.053480
  C      -7.515400      3.330395     -3.859196
  C      -8.818797      2.869247     -3.772994
  C      -9.131470      1.864457     -2.872185
  C      -8.149047      1.325282     -2.062120
  C      -4.522709      0.915179     -1.791148
  C      -3.543580      0.369961     -0.981948
  C      -7.877631     -2.001579      2.312969
  C      -6.936533     -2.463355      3.438672
  C      -7.772029     -2.844750      4.693154
  C      -6.855373     -3.294599      5.827626
  C      -7.411360     -4.312057      6.766400
  C      -8.072904     -5.457574      6.329379
  C      -8.539989     -6.403031      7.219052
  C      -8.358875     -6.249207      8.593248
  C      -8.854840     -7.253381      9.542019
  C      -8.797175     -8.614057      9.240810
  C      -9.255556     -9.558418     10.140581
  C      -9.786132     -9.162889     11.357747
  C      -9.853761     -7.814342     11.667586
  C      -9.392493     -6.869874     10.770451
  C      -7.693388     -5.107555      9.036874
  C      -7.234136     -4.162855      8.141567
  C      -1.694635     -4.936983      6.675833
  C      -3.175097     -4.543393      6.840932
  C      -3.748205     -4.945520      8.227631
  C      -3.231565     -6.249959      8.851081
  C      -4.019349     -6.545779     10.094612
  C      -3.701708     -5.932017     11.301186
  C      -4.453123     -6.163493     12.436999
  C      -5.543502     -7.030252     12.403302
  C      -6.345589     -7.288767     13.608468
  C      -6.761047     -8.581598     13.919477
  C      -7.511972     -8.827155     15.053989
  C      -7.869363     -7.784294     15.892858
  C      -7.467383     -6.493697     15.590468
  C      -6.708851     -6.248142     14.460612
  C      -5.857515     -7.651331     11.197388
  C      -5.112432     -7.402931     10.061216
  H      -0.101269     -3.487933      2.607619
  H      -0.222880     -1.939946      1.773831
  H      -0.709951     -3.419194      0.946589
  H      -2.037319     -2.043773      3.322210
  H      -4.058565     -2.159714      1.766590
  H      -2.931030     -2.517920      0.447463
  H      -1.759023     -0.384845      0.789385
  H      -2.747865     -0.037213      2.214111
  H      -5.270249      0.184573      1.903885
  H      -7.006298      1.160002      0.478017
  H      -5.519188      3.163531     -3.115245
  H      -7.265806      4.117583     -4.556618
  H      -9.587266      3.291342     -4.404404
  H     -10.145869      1.497614     -2.802582
  H      -8.397285      0.530608     -1.373000
  H      -4.311885      1.102640     -2.834568
  H      -2.570364      0.149336     -1.398688
  H      -8.641003     -2.748497      2.106222
  H      -7.306260     -1.819840      1.404742
  H      -8.375510     -1.079430      2.604454
  H      -6.314497     -1.598826      3.716368
  H      -8.471596     -3.635647      4.421535
  H      -8.366996     -1.981047      4.998888
  H      -6.541254     -2.421525      6.408141
  H      -5.924407     -3.711254      5.338937
  H      -8.238352     -5.616128      5.272584
  H      -9.070777     -7.267246      6.844674
  H      -8.366520     -8.935221      8.303037
  H      -9.194373    -10.609239      9.893619
  H     -10.143085     -9.900719     12.061476
  H     -10.269073     -7.497675     12.613662
  H      -9.463457     -5.820301     11.016382
  H      -7.512267     -4.973390     10.093633
  H      -6.723114     -3.286610      8.517343
  H      -1.358470     -4.588306      5.699239
  H      -1.087093     -4.473961      7.450053
  H      -1.559774     -6.014105      6.725123
  H      -3.206785     -3.443678      6.811991
  H      -3.531812     -4.139127      8.932758
  H      -4.835430     -5.005958      8.131151
  H      -2.175174     -6.140558      9.102297
  H      -3.336202     -7.076258      8.148263
  H      -2.850245     -5.267247     11.350929
  H      -4.179510     -5.687191     13.368113
  H      -6.475914     -9.400058     13.274040
  H      -7.820387     -9.836986     15.285337
  H      -8.458911     -7.976326     16.777798
  H      -7.747431     -5.674853     16.238268
  H      -6.409170     -5.237174     14.223186
  H      -6.709059     -8.313477     11.147067
  H      -5.384200     -7.884663      9.132248
  N      -4.128118     -1.959276      4.957098
  H      -4.691267     -1.831205      5.796635
  H      -4.397613     -1.210065      4.321160
  H      -3.166573     -1.762691      5.231226
126
Coordinates from ORCA-job /scratch/magstr/orcajob__5658506-Qzcs/orca E -6430.146242955197
  N      -2.768913     -3.898212      2.942253
  C      -2.584543     -5.083533      2.114498
  C      -3.282607     -6.258924      2.789031
  N      -4.613370     -5.827188      3.274343
  C      -5.586852     -5.723232      2.164333
  C      -6.662841     -4.690579      2.489379
  N      -6.037957     -3.504966      3.068213
  Mo     -4.365263     -3.882535      4.101877
  N      -3.976451     -4.955404      5.720870
  C      -4.294411     -6.373692      5.654482
  C      -5.095715     -6.672463      4.382691
  H      -4.908837     -6.697083      6.514559
  H      -3.375887     -6.993581      5.674124
  H      -6.147287     -6.411865      4.562052
  H      -5.040693     -7.744306      4.127044
  H      -7.199118     -4.460403      1.552289
  H      -7.412701     -5.135225      3.173545
  H      -5.039436     -5.371382      1.280923
  H      -6.034553     -6.703263      1.930812
  H      -1.519131     -5.344997      1.999281
  H      -2.983502     -4.930877      1.091474
  H      -2.689776     -6.543057      3.666978
  H      -3.364958     -7.128243      2.116075
  C      -0.696266     -2.881620      1.933240
  C      -2.127072     -2.679747      2.449454
  C      -3.020406     -1.982357      1.389225
  C      -2.738251     -0.484580      1.203176
  C      -3.775155      0.143038      0.307402
  C      -5.055267      0.429340      0.795909
  C      -6.035731      0.967338     -0.029207
  C      -5.767720      1.242440     -1.378151
  C      -6.808677      1.818098     -2.256724
  C      -6.492131      2.824978     -3.180259
  C      -7.472916      3.367415     -4.005714
  C      -8.787768      2.910533     -3.927070
  C      -9.115100      1.908877     -3.014315
  C      -8.135657      1.369090     -2.185442
  C      -4.485938      0.956037     -1.867594
  C      -3.509133      0.413213     -1.037772
  C      -7.892660     -2.001770      2.295831
  C      -6.972880     -2.452451      3.441668
  C      -7.818173     -2.827521      4.695337
  C      -6.925475     -3.262898      5.859346
  C      -7.487292     -4.275092      6.810374
  C      -8.135098     -5.436899      6.372259
  C      -8.597293     -6.389375      7.271383
  C      -8.427872     -6.222997      8.654321
  C      -8.903940     -7.240142      9.610701
  C      -8.813008     -8.607293      9.309119
  C      -9.240103     -9.568290     10.220654
  C      -9.772316     -9.181806     11.450233
  C      -9.873882     -7.826258     11.760018
  C      -9.443719     -6.865802     10.850505
  C      -7.784112     -5.058748      9.097010
  C      -7.327850     -4.108074      8.192408
  C      -1.680174     -4.929719      6.676291
  C      -3.161057     -4.540014      6.855198
  C      -3.731928     -4.955100      8.239452
  C      -3.211713     -6.267913      8.857799
  C      -3.990139     -6.585811     10.109468
  C      -3.671576     -5.974666     11.327196
  C      -4.421991     -6.221671     12.472149
  C      -5.512805     -7.102471     12.439065
  C      -6.315345     -7.373702     13.650935
  C      -6.738639     -8.676220     13.952130
  C      -7.493939     -8.933159     15.092541
  C      -7.846866     -7.891864     15.950088
  C      -7.437145     -6.591460     15.658700
  C      -6.675895     -6.335152     14.521552
  C      -5.824563     -7.723285     11.222377
  C      -5.080777     -7.460071     10.077318
  H      -0.101597     -3.455897      2.655713
  H      -0.215903     -1.906652      1.795459
  H      -0.687975     -3.407599      0.970861
  H      -2.054154     -1.995560      3.313783
  H      -4.062553     -2.115393      1.718305
  H      -2.911316     -2.491585      0.420411
  H      -1.737986     -0.341012      0.772663
  H      -2.754208      0.008902      2.188221
  H      -5.289067      0.225237      1.843130
  H      -7.019406      1.200310      0.379092
  H      -5.469634      3.199083     -3.235664
  H      -7.210822      4.154557     -4.712751
  H      -9.554955      3.334051     -4.574761
  H     -10.140072      1.543089     -2.950728
  H      -8.395674      0.574205     -1.485801
  H      -4.258698      1.144187     -2.916921
  H      -2.520363      0.193017     -1.443619
  H      -8.656459     -2.757893      2.076942
  H      -7.304860     -1.817032      1.387418
  H      -8.403797     -1.073463      2.576400
  H      -6.361401     -1.576574      3.718787
  H      -8.518093     -3.627370      4.422563
  H      -8.423503     -1.957785      4.982718
  H      -6.611186     -2.378621      6.434791
  H      -5.987537     -3.693701      5.385576
  H      -8.291190     -5.605892      5.305607
  H      -9.114513     -7.272620      6.896550
  H      -8.374346     -8.920266      8.361016
  H      -9.150408    -10.626232      9.973572
  H     -10.104325     -9.933684     12.165461
  H     -10.291094     -7.515631     12.717472
  H      -9.538148     -5.808612     11.097971
  H      -7.610768     -4.913887     10.162983
  H      -6.825586     -3.214715      8.567546
  H      -1.336760     -4.570337      5.697002
  H      -1.064394     -4.473097      7.460599
  H      -1.541110     -6.015888      6.715619
  H      -3.191108     -3.437013      6.841144
  H      -3.514970     -4.146838      8.952561
  H      -4.824896     -5.012868      8.147724
  H      -2.146833     -6.158410      9.104092
  H      -3.312071     -7.097324      8.145694
  H      -2.817504     -5.296738     11.379279
  H      -4.146163     -5.744937     13.413087
  H      -6.456141     -9.495929     13.291521
  H      -7.807520     -9.953174     15.315517
  H      -8.439622     -8.092990     16.842200
  H      -7.714568     -5.771301     16.321154
  H      -6.370648     -5.313843     14.292043
  H      -6.677203     -8.398551     11.169857
  H      -5.355539     -7.942893      9.137765
  N      -4.095434     -1.905608      4.959697
  H      -4.654877     -1.760488      5.807313
  H      -4.359792     -1.149680      4.316426
  H      -3.122927     -1.715601      5.229124
126
Coordinates from ORCA-job /scratch/magstr/orcajob__5658506-Qzcs/orca E -6458.478570691918
  N      -2.777365     -3.888597      2.946416
  C      -2.579671     -5.086903      2.117656
  C      -3.272160     -6.267700      2.786041
  N      -4.624029     -5.836400      3.267035
  C      -5.606592     -5.728783      2.141977
  C      -6.685304     -4.703138      2.475484
  N      -6.061925     -3.507455      3.069685
  Mo     -4.379128     -3.872355      4.106134
  N      -3.991952     -4.959533      5.724070
  C      -4.313523     -6.389679      5.656872
  C      -5.117014     -6.688976      4.387760
  H      -4.926232     -6.715056      6.518561
  H      -3.393508     -7.010096      5.677865
  H      -6.174707     -6.429112      4.563712
  H      -5.063045     -7.761470      4.129395
  H      -7.221678     -4.468431      1.538955
  H      -7.438501     -5.153725      3.153709
  H      -5.055569     -5.373538      1.256894
  H      -6.049086     -6.711280      1.902775
  H      -1.511116     -5.340479      2.005834
  H      -2.973998     -4.937762      1.090666
  H      -2.681862     -6.555984      3.670217
  H      -3.348356     -7.138600      2.111872
  C      -0.699089     -2.853405      1.968055
  C      -2.139268     -2.646161      2.451420
  C      -3.015729     -1.947096      1.373400
  C      -2.734563     -0.446604      1.184954
  C      -3.759699      0.183498      0.268507
  C      -5.056594      0.466870      0.735308
  C      -6.030079      1.004504     -0.111122
  C      -5.739909      1.281981     -1.462762
  C      -6.771827      1.857090     -2.362953
  C      -6.439269      2.862709     -3.293564
  C      -7.412432      3.405610     -4.140303
  C      -8.736728      2.951113     -4.076107
  C      -9.080732      1.950876     -3.156647
  C      -8.108287      1.410548     -2.307249
  C      -4.441424      0.997735     -1.930232
  C      -3.471041      0.456715     -1.078617
  C      -7.912747     -2.003520      2.276152
  C      -7.012954     -2.445184      3.439758
  C      -7.868519     -2.817789      4.690405
  C      -6.997977     -3.240561      5.879806
  C      -7.564908     -4.250010      6.839011
  C      -8.197062     -5.426712      6.398251
  C      -8.653716     -6.386928      7.303874
  C      -8.496970     -6.210722      8.694316
  C      -8.953937     -7.240492      9.655813
  C      -8.829134     -8.611790      9.353622
  C      -9.227409     -9.587782     10.273796
  C      -9.764343     -9.211293     11.512866
  C      -9.900257     -7.851260     11.822952
  C      -9.498748     -6.876324     10.904285
  C      -7.876141     -5.026316      9.137760
  C      -7.423597     -4.068847      8.226817
  C      -1.681150     -4.926583      6.676556
  C      -3.161996     -4.539039      6.866923
  C      -3.731109     -4.965021      8.248964
  C      -3.210964     -6.287042      8.860631
  C      -3.975555     -6.619206     10.123455
  C      -3.644405     -6.012249     11.348179
  C      -4.385840     -6.269937     12.506184
  C      -5.480651     -7.157999     12.481645
  C      -6.271773     -7.439589     13.706721
  C      -6.700598     -8.749489     14.003671
  C      -7.440749     -9.016487     15.161041
  C      -7.772061     -7.977847     16.042295
  C      -7.358800     -6.669712     15.755031
  C      -6.614232     -6.403744     14.599725
  C      -5.803327     -7.775711     11.257843
  C      -5.068449     -7.502507     10.099888
  H      -0.109801     -3.423814      2.710037
  H      -0.214930     -1.872691      1.829479
  H      -0.670419     -3.390732      1.003667
  H      -2.078284     -1.952516      3.314967
  H      -4.068970     -2.074571      1.678230
  H      -2.892941     -2.463197      0.402778
  H      -1.721006     -0.297926      0.772311
  H      -2.767183      0.051516      2.174966
  H      -5.310732      0.261684      1.787289
  H      -7.028394      1.236740      0.283301
  H      -5.407897      3.236904     -3.337326
  H      -7.136453      4.193619     -4.852776
  H      -9.499273      3.375808     -4.741207
  H     -10.114432      1.585032     -3.104467
  H      -8.381533      0.614554     -1.601444
  H      -4.194839      1.187914     -2.982701
  H      -2.467144      0.238200     -1.469968
  H      -8.675077     -2.768121      2.044477
  H      -7.309484     -1.814268      1.369384
  H      -8.436725     -1.071275      2.547372
  H      -6.412102     -1.559505      3.718566
  H      -8.566746     -3.625949      4.414339
  H      -8.484329     -1.944586      4.961965
  H      -6.686063     -2.347076      6.452394
  H      -6.052773     -3.681204      5.420360
  H      -8.342588     -5.604174      5.323155
  H      -9.155828     -7.287192      6.927412
  H      -8.381178     -8.915653      8.397580
  H      -9.109084    -10.650460     10.026356
  H     -10.073329     -9.975721     12.236763
  H     -10.321668     -7.547616     12.789246
  H      -9.617525     -5.813784     11.153246
  H      -7.711593     -4.872859     10.211642
  H      -6.931915     -3.160272      8.602728
  H      -1.331257     -4.558030      5.695400
  H      -1.058185     -4.476461      7.469498
  H      -1.539576     -6.020314      6.706861
  H      -3.189526     -3.433439      6.865920
  H      -3.510214     -4.156800      8.969394
  H      -4.829095     -5.017157      8.162652
  H      -2.137305     -6.182183      9.096988
  H      -3.315246     -7.118718      8.141569
  H      -2.784526     -5.327622     11.396275
  H      -4.098150     -5.795461     13.453570
  H      -6.431749     -9.569677     13.325340
  H      -7.755483    -10.044831     15.381354
  H      -8.345163     -8.187267     16.951797
  H      -7.619151     -5.849678     16.436713
  H      -6.304281     -5.374440     14.374682
  H      -6.659817     -8.458559     11.209697
  H      -5.354846     -7.984650      9.153493
  N      -4.081085     -1.861190      4.963501
  H      -4.639365     -1.703164      5.816507
  H      -4.340223     -1.099409      4.314175
  H      -3.100344     -1.676150      5.231472
126
Coordinates from ORCA-job /scratch/magstr/orcajob__5658506-Qzcs/orca E -6458.473549873806
  N      -2.766373     -3.880396      2.947866
  C      -2.582075     -5.058328      2.120754
  C      -3.281967     -6.233898      2.790287
  N      -4.607949     -5.807627      3.271015
  C      -5.574572     -5.696357      2.165637
  C      -6.654316     -4.674455      2.501469
  N      -6.037185     -3.497720      3.091282
  Mo     -4.357774     -3.867512      4.111617
  N      -3.977714     -4.956072      5.719168
  C      -4.295687     -6.367020      5.644016
  C      -5.094237     -6.652055      4.370159
  H      -4.909526     -6.691760      6.501190
  H      -3.379020     -6.985836      5.663479
  H      -6.141795     -6.387395      4.542011
  H      -5.043651     -7.719929      4.104637
  H      -7.190556     -4.432215      1.568584
  H      -7.402957     -5.126634      3.179196
  H      -5.024221     -5.339468      1.290259
  H      -6.014666     -6.676320      1.925823
  H      -1.516712     -5.315853      2.006234
  H      -2.978152     -4.900604      1.099547
  H      -2.699409     -6.526359      3.667523
  H      -3.367360     -7.097658      2.114095
  C      -0.698469     -2.872475      1.945322
  C      -2.130937     -2.669923      2.452191
  C      -3.023240     -1.989444      1.392370
  C      -2.738384     -0.495767      1.197047
  C      -3.773659      0.131277      0.306718
  C      -5.045714      0.422020      0.798936
  C      -6.025300      0.956073     -0.020283
  C      -5.764422      1.221470     -1.367645
  C      -6.804297      1.794201     -2.240332
  C      -6.486613      2.779605     -3.178766
  C      -7.466195      3.319696     -3.998158
  C      -8.780981      2.882571     -3.897652
  C      -9.109232      1.902418     -2.969573
  C      -8.130851      1.364365     -2.147396
  C      -4.490642      0.930640     -1.860844
  C      -3.514334      0.393419     -1.036296
  C      -7.886843     -2.004583      2.313873
  C      -6.973429     -2.452154      3.463355
  C      -7.823064     -2.830552      4.706520
  C      -6.939973     -3.256740      5.878320
  C      -7.502608     -4.273082      6.819950
  C      -8.134052     -5.433890      6.368616
  C      -8.591658     -6.395176      7.252418
  C      -8.435395     -6.239111      8.633067
  C      -8.906496     -7.267872      9.573330
  C      -8.809130     -8.627247      9.259206
  C      -9.228503     -9.595847     10.158354
  C      -9.760795     -9.225628     11.386988
  C      -9.870873     -7.878668     11.707997
  C      -9.446669     -6.910460     10.812121
  C      -7.809097     -5.075632      9.089477
  C      -7.356573     -4.115365      8.199942
  C      -1.693545     -4.954496      6.670872
  C      -3.166563     -4.552099      6.852251
  C      -3.747249     -4.967211      8.230493
  C      -3.250110     -6.286371      8.842868
  C      -4.020878     -6.590277     10.097884
  C      -3.679132     -5.986076     11.307320
  C      -4.416069     -6.219121     12.456871
  C      -5.518524     -7.077279     12.437099
  C      -6.304907     -7.335801     13.655952
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  C      -7.499247     -8.870419     15.095423
  C      -7.803232     -7.833059     15.968705
  C      -7.361166     -6.546345     15.685697
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  C      -5.856322     -7.689498     11.228228
  C      -5.123453     -7.442123     10.078840
  H      -0.107559     -3.432091      2.672810
  H      -0.221475     -1.902534      1.796484
  H      -0.682995     -3.407044      0.993878
  H      -2.063145     -1.983583      3.309298
  H      -4.064552     -2.119829      1.720330
  H      -2.919036     -2.505191      0.431047
  H      -1.742734     -0.355341      0.765725
  H      -2.747466      0.001407      2.175342
  H      -5.271517      0.229347      1.842439
  H      -6.999571      1.194441      0.390154
  H      -5.466460      3.138579     -3.250029
  H      -7.203981      4.089072     -4.714992
  H      -9.545807      3.303759     -4.539003
  H     -10.131716      1.551983     -2.889767
  H      -8.390845      0.587421     -1.437768
  H      -4.269550      1.111605     -2.906422
  H      -2.534159      0.170150     -1.443632
  H      -8.642598     -2.759182      2.088420
  H      -7.298776     -1.815020      1.414094
  H      -8.403753     -1.083954      2.590844
  H      -6.364003     -1.577509      3.743163
  H      -8.514807     -3.631529      4.430090
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  H      -6.626390     -2.375181      6.450840
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  H      -8.281677     -5.592695      5.305924
  H      -9.096112     -7.274540      6.868565
  H      -8.371945     -8.927759      8.314599
  H      -9.132856    -10.644900      9.902656
  H     -10.086829     -9.981775     12.090791
  H     -10.291103     -7.580931     12.660786
  H      -9.547661     -5.862571     11.068132
  H      -7.646985     -4.938865     10.152119
  H      -6.866842     -3.226543      8.583838
  H      -1.344100     -4.592145      5.700645
  H      -1.077024     -4.514756      7.457074
  H      -1.565002     -6.036986      6.701559
  H      -3.190298     -3.451559      6.843624
  H      -3.520667     -4.168141      8.945243
  H      -4.839370     -5.005183      8.140060
  H      -2.185259     -6.199927      9.080286
  H      -3.367012     -7.109788      8.133476
  H      -2.816460     -5.329760     11.349685
  H      -4.120079     -5.752301     13.389448
  H      -6.515066     -9.439130     13.278484
  H      -7.837861     -9.877600     15.310726
  H      -8.392895     -8.028710     16.868905
  H      -7.601741     -5.730148     16.357562
  H      -6.287457     -5.292218     14.318433
  H      -6.717511     -8.345183     11.185832
  H      -5.416238     -7.917388      9.148750
  N      -4.080854     -1.885587      4.981380
  H      -4.637112     -1.743852      5.825135
  H      -4.340674     -1.131159      4.345685
  H      -3.114404     -1.700859      5.249716
126
Coordinates from ORCA-job /scratch/magstr/orcajob__5658506-Qzcs/orca E -6458.483725915366
  N      -2.747329     -3.888628      2.927403
  C      -2.562848     -5.077856      2.094996
  C      -3.254314     -6.258080      2.761890
  N      -4.597911     -5.833745      3.249280
  C      -5.584425     -5.714885      2.139788
  C      -6.659942     -4.700370      2.500113
  N      -6.035441     -3.515322      3.098764
  Mo     -4.334026     -3.867701      4.104263
  N      -3.966305     -4.981421      5.705772
  C      -4.290428     -6.402336      5.632941
  C      -5.091897     -6.684259      4.364594
  H      -4.900277     -6.723291      6.492992
  H      -3.373693     -7.020525      5.656747
  H      -6.142214     -6.415633      4.529851
  H      -5.047519     -7.750421      4.091645
  H      -7.206717     -4.448291      1.576455
  H      -7.404586     -5.153349      3.180814
  H      -5.034409     -5.359586      1.260852
  H      -6.020521     -6.696604      1.899986
  H      -1.496028     -5.326275      1.973895
  H      -2.962680     -4.917843      1.075700
  H      -2.675245     -6.559996      3.640966
  H      -3.343391     -7.121097      2.085422
  C      -0.687035     -2.870914      1.935104
  C      -2.120148     -2.655141      2.424432
  C      -3.011052     -1.977727      1.369292
  C      -2.730606     -0.482178      1.176064
  C      -3.765536      0.152900      0.286734
  C      -5.045713      0.437317      0.777423
  C      -6.028704      0.977350     -0.042807
  C      -5.765600      1.256135     -1.393282
  C      -6.806532      1.834846     -2.266152
  C      -6.486168      2.826833     -3.204958
  C      -7.467917      3.374126     -4.026121
  C      -8.789130      2.938448     -3.927202
  C      -9.120923      1.951863     -2.998865
  C      -8.139600      1.406724     -2.175678
  C      -4.483756      0.970955     -1.884256
  C      -3.503733      0.428572     -1.058239
  C      -7.884044     -2.024216      2.314531
  C      -6.988650     -2.459288      3.477570
  C      -7.838654     -2.832714      4.717912
  C      -6.978315     -3.249869      5.911150
  C      -7.539216     -4.270560      6.856657
  C      -8.158502     -5.437029      6.388972
  C      -8.609630     -6.415285      7.266526
  C      -8.458147     -6.270227      8.654190
  C      -8.914433     -7.319698      9.585935
  C      -8.801376     -8.678591      9.252000
  C      -9.200443     -9.668619     10.145720
  C      -9.728015     -9.319824     11.388671
  C      -9.854814     -7.973558     11.728762
  C      -9.450885     -6.984475     10.837842
  C      -7.846428     -5.097801      9.124057
  C      -7.400700     -4.118932      8.241057
  C      -1.676351     -4.980422      6.658357
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  C      -3.738980     -4.977459      8.219666
  C      -3.265713     -6.301179      8.845100
  C      -4.039353     -6.597460     10.103474
  C      -3.689006     -5.987943     11.314086
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  C      -7.537559     -8.818405     15.153916
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  C      -7.354740     -6.486226     15.737108
  C      -6.615243     -6.256137     14.579624
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  C      -5.153558     -7.443593     10.094911
  H      -0.096458     -3.427929      2.671108
  H      -0.200929     -1.901410      1.778828
  H      -0.663567     -3.415111      0.983914
  H      -2.052524     -1.963083      3.278481
  H      -4.059047     -2.102380      1.686516
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  H      -1.730288     -0.331120      0.749984
  H      -2.740945      0.012652      2.160796
  H      -5.276683      0.236141      1.823329
  H      -7.008030      1.211154      0.368883
  H      -5.461691      3.185692     -3.274416
  H      -7.202098      4.148509     -4.741814
  H      -9.555466      3.365204     -4.569408
  H     -10.147373      1.601311     -2.920175
  H      -8.401902      0.624520     -1.466571
  H      -4.258869      1.161552     -2.931310
  H      -2.517937      0.210627     -1.465899
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  H      -7.287867     -1.832082      1.415524
  H      -8.412163     -1.100854      2.579321
  H      -6.386270     -1.576529      3.754439
  H      -8.530607     -3.639335      4.441305
  H      -8.459482     -1.965902      4.983062
  H      -6.660984     -2.365014      6.482199
  H      -6.052986     -3.690054      5.469920
  H      -8.300992     -5.586814      5.320111
  H      -9.104109     -7.300569      6.872836
  H      -8.365812     -8.961712      8.297296
  H      -9.091246    -10.716259      9.874749
  H     -10.037488    -10.091781     12.088610
  H     -10.271923     -7.691762     12.691635
  H      -9.563738     -5.937544     11.109022
  H      -7.688129     -4.968712     10.192194
  H      -6.918341     -3.224859      8.633665
  H      -1.312414     -4.621374      5.688197
  H      -1.051170     -4.548410      7.448827
  H      -1.550980     -6.068106      6.688062
  H      -3.158097     -3.468717      6.845251
  H      -3.508586     -4.173875      8.933705
  H      -4.835382     -4.998411      8.125550
  H      -2.196464     -6.230031      9.085455
  H      -3.384226     -7.132104      8.138465
  H      -2.816596     -5.337082     11.351913
  H      -4.121449     -5.738092     13.403622
  H      -6.575468     -9.411637     13.324076
  H      -7.889637     -9.823291     15.377001
  H      -8.398395     -7.954256     16.942861
  H      -7.574895     -5.660538     16.410308
  H      -6.270405     -5.250430     14.349026
  H      -6.758287     -8.328950     11.215925
  H      -5.455767     -7.924274      9.165340
  N      -4.006740     -1.824682      4.978775
  H      -4.552751     -1.668383      5.829397
  H      -4.262113     -1.066702      4.342416
  H      -3.034016     -1.649454      5.236575
126
Coordinates from ORCA-job /scratch/magstr/orcajob__5658506-Qzcs/orca E -6458.484523795315
  N      -2.738987     -3.890393      2.922395
  C      -2.558449     -5.080261      2.088790
  C      -3.249895     -6.259644      2.756647
  N      -4.592512     -5.833175      3.246977
  C      -5.581372     -5.710755      2.138898
  C      -6.654839     -4.695834      2.503513
  N      -6.027217     -3.512596      3.104210
  Mo     -4.322499     -3.867145      4.103815
  N      -3.956303     -4.984418      5.703464
  C      -4.281344     -6.405688      5.629301
  C      -5.086163     -6.684547      4.362668
  H      -4.890099     -6.727272      6.490383
  H      -3.364721     -7.024621      5.650588
  H      -6.136042     -6.413817      4.530139
  H      -5.044575     -7.750571      4.087721
  H      -7.202727     -4.440456      1.581276
  H      -7.399193     -5.149272      3.184494
  H      -5.032095     -5.354441      1.259423
  H      -6.018872     -6.691892      1.898011
  H      -1.492174     -5.330178      1.964876
  H      -2.960806     -4.919102      1.070406
  H      -2.669606     -6.563573      3.634818
  H      -3.342091     -7.122313      2.079619
  C      -0.681856     -2.871255      1.922972
  C      -2.114040     -2.655765      2.415525
  C      -3.008327     -1.979969      1.361506
  C      -2.727227     -0.484962      1.162778
  C      -3.766356      0.149702      0.277268
  C      -5.043878      0.437831      0.774512
  C      -6.031141      0.977306     -0.042099
  C      -5.775313      1.251813     -1.395517
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  C      -7.489243      3.361975     -4.029618
  C      -8.812034      2.932106     -3.918380
  C      -9.141071      1.951976     -2.981331
  C      -8.155433      1.407488     -2.161755
  C      -4.496020      0.963175     -1.892935
  C      -3.511666      0.421395     -1.070518
  C      -7.871601     -2.013871      2.322088
  C      -6.977803     -2.453455      3.484841
  C      -7.828329     -2.826224      4.724999
  C      -6.967945     -3.242100      5.918882
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  C      -8.438591     -6.257543      8.674564
  C      -8.887060     -7.307190      9.610590
  C      -8.781009     -8.666345      9.273224
  C      -9.169483     -9.657308     10.171583
  C      -9.678657     -9.309106     11.423098
  C      -9.798215     -7.962464     11.766951
  C      -9.405803     -6.972456     10.870830
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  C      -3.266840     -6.303704      8.845932
  C      -4.048736     -6.603439     10.098760
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  C      -6.664639     -6.267203     14.553916
  C      -5.902654     -7.692975     11.234056
  C      -5.158531     -7.456089     10.081681
  H      -0.088126     -3.425594      2.659519
  H      -0.196967     -1.901227      1.762156
  H      -0.660080     -3.418610      0.972810
  H      -2.044834     -1.962552      3.269226
  H      -4.055602     -2.102220      1.682642
  H      -2.912376     -2.502396      0.397490
  H      -1.728468     -0.335843      0.731016
  H      -2.731567      0.012415      2.146888
  H      -5.269271      0.240613      1.823311
  H      -7.008351      1.214324      0.374863
  H      -5.477152      3.170013     -3.291117
  H      -7.225368      4.131611     -4.752317
  H      -9.581913      3.358462     -4.557953
  H     -10.169040      1.605737     -2.893000
  H      -8.415834      0.629882     -1.445683
  H      -4.276603      1.150426     -2.942542
  H      -2.527792      0.200563     -1.483410
  H      -8.628965     -2.770800      2.085236
  H      -7.274382     -1.821548      1.422938
  H      -8.397675     -1.089042      2.588319
  H      -6.371874     -1.573172      3.762689
  H      -8.520575     -3.633366      4.448958
  H      -8.449537     -1.958913      4.989156
  H      -6.647834     -2.355996      6.487251
  H      -6.043090     -3.686139      5.477865
  H      -8.299816     -5.577890      5.336924
  H      -9.096071     -7.290193      6.897326
  H      -8.358483     -8.949129      8.311501
  H      -9.065673    -10.705505      9.897595
  H      -9.979111    -10.082051     12.127108
  H     -10.200101     -7.681040     12.737377
  H      -9.512422     -5.924925     11.145354
  H      -7.658175     -4.954421     10.207350
  H      -6.896700     -3.211600      8.641649
  H      -1.299550     -4.621336      5.698455
  H      -1.047355     -4.551077      7.461361
  H      -1.543248     -6.070366      6.695403
  H      -3.153031     -3.470543      6.846252
  H      -3.513480     -4.176148      8.933918
  H      -4.835030     -5.002365      8.118298
  H      -2.198863     -6.230186      9.093625
  H      -3.378284     -7.134950      8.137631
  H      -2.842888     -5.334183     11.356898
  H      -4.165227     -5.738995     13.398418
  H      -6.613000     -9.423949     13.297234
  H      -7.945693     -9.836550     15.339656
  H      -8.465178     -7.966731     16.901486
  H      -7.640367     -5.672005     16.377460
  H      -6.317659     -5.260621     14.326636
  H      -6.769104     -8.349151     11.189984
  H      -5.450210     -7.940012      9.149477
  N      -3.987598     -1.821876      4.979678
  H      -4.533857     -1.664014      5.830727
  H      -4.240503     -1.062404      4.342594
  H      -3.013402     -1.650217      5.238072
126
Coordinates from ORCA-job /scratch/magstr/orcajob__5658506-Qzcs/orca E -6458.485837095548
  N      -2.706253     -3.881634      2.927468
  C      -2.526427     -5.076721      2.097165
  C      -3.218707     -6.252986      2.768101
  N      -4.564103     -5.823347      3.255079
  C      -5.552650     -5.701814      2.143268
  C      -6.626334     -4.686480      2.504874
  N      -5.997048     -3.502373      3.107224
  Mo     -4.291299     -3.851138      4.107677
  N      -3.938058     -4.967555      5.711915
  C      -4.254355     -6.392798      5.637657
  C      -5.059906     -6.673855      4.372974
  H      -4.862275     -6.717304      6.499631
  H      -3.333500     -7.006950      5.658872
  H      -6.110959     -6.401414      4.539391
  H      -5.019168     -7.740795      4.098265
  H      -7.170866     -4.430028      1.580506
  H      -7.373676     -5.138347      3.184492
  H      -5.000617     -5.346308      1.263681
  H      -5.989057     -6.684439      1.902573
  H      -1.459862     -5.327903      1.974727
  H      -2.928797     -4.918575      1.077514
  H      -2.639998     -6.555690      3.649562
  H      -3.311073     -7.118559      2.093141
  C      -0.656104     -2.853904      1.914997
  C      -2.089530     -2.643425      2.407306
  C      -2.990345     -1.981381      1.347710
  C      -2.712520     -0.488048      1.126215
  C      -3.763632      0.136205      0.244942
  C      -5.035882      0.433596      0.755802
  C      -6.035356      0.962854     -0.056261
  C      -5.798064      1.217564     -1.418998
  C      -6.856475      1.783554     -2.283190
  C      -6.549505      2.745501     -3.261072
  C      -7.548083      3.280994     -4.074340
  C      -8.873514      2.863430     -3.928493
  C      -9.192451      1.906878     -2.961161
  C      -8.194157      1.373621     -2.145987
  C      -4.523657      0.920553     -1.929688
  C      -3.526944      0.388994     -1.111793
  C      -7.820103     -1.987225      2.299670
  C      -6.943153     -2.430951      3.474205
  C      -7.807446     -2.791957      4.707699
  C      -6.960262     -3.197152      5.915508
  C      -7.538298     -4.194743      6.878868
  C      -8.169783     -5.365307      6.431268
  C      -8.636693     -6.321513      7.329216
  C      -8.487249     -6.149531      8.716900
  C      -8.956125     -7.175376      9.671268
  C      -8.874658     -8.543088      9.355805
  C      -9.275732     -9.513772     10.273728
  C      -9.770819     -9.135904     11.524569
  C      -9.865081     -7.780048     11.847410
  C      -9.463220     -6.810486     10.930190
  C      -7.860610     -4.974364      9.164941
  C      -7.401164     -4.017042      8.262197
  C      -1.656634     -4.926687      6.699343
  C      -3.132969     -4.544841      6.869212
  C      -3.739490     -4.974347      8.229964
  C      -3.225087     -6.283245      8.858559
  C      -4.011930     -6.626796     10.098219
  C      -3.735069     -5.993491     11.318493
  C      -4.492604     -6.259420     12.457088
  C      -5.551188     -7.183629     12.420564
  C      -6.358261     -7.468979     13.626722
  C      -6.781526     -8.777399     13.916845
  C      -7.541528     -9.047280     15.054547
  C      -7.898644     -8.013054     15.924327
  C      -7.490967     -6.706215     15.644031
  C      -6.727498     -6.437684     14.507589
  C      -5.818755     -7.829637     11.202279
  C      -5.068412     -7.546815     10.062046
  H      -0.055197     -3.394088      2.659524
  H      -0.178251     -1.880971      1.739116
  H      -0.630907     -3.415145      0.970715
  H      -2.024504     -1.942565      3.257296
  H      -4.036707     -2.098853      1.675490
  H      -2.899904     -2.517393      0.388827
  H      -1.717509     -0.343099      0.680408
  H      -2.705096      0.021831      2.105810
  H      -5.247299      0.253121      1.813363
  H      -7.008529      1.207988      0.371766
  H      -5.520411      3.091653     -3.367516
  H      -7.291497      4.033065     -4.821416
  H      -9.653816      3.281348     -4.565173
  H     -10.223320      1.569715     -2.845523
  H      -8.447385      0.613012     -1.405698
  H      -4.318034      1.092218     -2.987154
  H      -2.546700      0.160703     -1.535772
  H      -8.582846     -2.739347      2.055747
  H      -7.210341     -1.801886      1.404727
  H      -8.342489     -1.055699      2.557340
  H      -6.329176     -1.556240      3.754460
  H      -8.498464     -3.602010      4.431852
  H      -8.431571     -1.920710      4.956374
  H      -6.638828     -2.303256      6.473464
  H      -6.030988     -3.656750      5.489025
  H      -8.311922     -5.534735      5.362026
  H      -9.142958     -7.210796      6.951292
  H      -8.459817     -8.849490      8.394710
  H      -9.190464    -10.570229     10.016147
  H     -10.078104     -9.893692     12.245701
  H     -10.251642     -7.475305     12.819909
  H      -9.548731     -5.754613     11.189292
  H      -7.702859     -4.825000     10.233589
  H      -6.908357     -3.118088      8.639114
  H      -1.280957     -4.549361      5.737880
  H      -1.050270     -4.492447      7.506875
  H      -1.510770     -6.014796      6.719149
  H      -3.172283     -3.442906      6.869697
  H      -3.549735     -4.164212      8.951627
  H      -4.833376     -5.033051      8.116967
  H      -2.163060     -6.167652      9.122793
  H      -3.291006     -7.115345      8.142820
  H      -2.905820     -5.284627     11.378989
  H      -4.245148     -5.765557     13.398014
  H      -6.494390     -9.591847     13.250538
  H      -7.849787    -10.071554     15.268342
  H      -8.485866     -8.225737     16.817685
  H      -7.770786     -5.891316     16.312902
  H      -6.425559     -5.412620     14.286993
  H      -6.643839     -8.539417     11.141846
  H      -5.312565     -8.049976      9.123429
  N      -3.951097     -1.792549      4.978089
  H      -4.507591     -1.627041      5.823679
  H      -4.193239     -1.033825      4.331462
  H      -2.975954     -1.626012      5.247270
126
Coordinates from ORCA-job /scratch/magstr/orcajob__5658506-Qzcs/orca E -6458.486300474565
  N      -2.688637     -3.892532      2.915449
  C      -2.514503     -5.087196      2.082393
  C      -3.206398     -6.263028      2.754611
  N      -4.549444     -5.831514      3.247674
  C      -5.542077     -5.705974      2.139334
  C      -6.612836     -4.689052      2.506243
  N      -5.978361     -3.507609      3.109029
  Mo     -4.269445     -3.860899      4.101420
  N      -3.917941     -4.979180      5.704488
  C      -4.233164     -6.404999      5.628823
  C      -5.042744     -6.683632      4.365961
  H      -4.838895     -6.731439      6.492142
  H      -3.311619     -7.018800      5.645990
  H      -6.093238     -6.409702      4.536664
  H      -5.004471     -7.750494      4.089443
  H      -7.159500     -4.429396      1.583873
  H      -7.358904     -5.140879      3.187658
  H      -4.992674     -5.348907      1.258286
  H      -5.981041     -6.687606      1.897884
  H      -1.448817     -5.340697      1.955640
  H      -2.920788     -4.926992      1.064361
  H      -2.624174     -6.567623      3.633645
  H      -3.302639     -7.127925      2.078727
  C      -0.644333     -2.862367      1.889925
  C      -2.074708     -2.653125      2.392169
  C      -2.982516     -1.989317      1.338273
  C      -2.702170     -0.496930      1.111449
  C      -3.763260      0.129806      0.243212
  C      -5.026927      0.434905      0.771858
  C      -6.036146      0.966392     -0.027479
  C      -5.817812      1.215778     -1.394846
  C      -6.887103      1.782927     -2.245749
  C      -6.590511      2.737311     -3.234972
  C      -7.599384      3.273684     -4.035732
  C      -8.925085      2.864544     -3.865959
  C      -9.233861      1.915577     -2.887255
  C      -8.225256      1.381519     -2.084533
  C      -4.551760      0.911502     -1.923243
  C      -3.545231      0.377547     -1.118078
  C      -7.793845     -1.978537      2.306923
  C      -6.918323     -2.431435      3.479388
  C      -7.783131     -2.791995      4.712908
  C      -6.934941     -3.202165      5.918466
  C      -7.515266     -4.200104      6.880819
  C      -8.159801     -5.363281      6.431274
  C      -8.628534     -6.320762      7.327575
  C      -8.464461     -6.159611      8.715397
  C      -8.933647     -7.187960      9.667521
  C      -8.882528     -8.553351      9.334485
  C      -9.283376     -9.528243     10.248783
  C      -9.745897     -9.156922     11.514523
  C      -9.809393     -7.803220     11.855421
  C      -9.410053     -6.829424     10.940829
  C      -7.822496     -4.992972      9.165297
  C      -7.364293     -4.032643      8.264435
  C      -1.641619     -4.936848      6.708235
  C      -3.119176     -4.553160      6.865906
  C      -3.735052     -4.975028      8.225161
  C      -3.222963     -6.279179      8.866309
  C      -4.020564     -6.615812     10.101403
  C      -3.763631     -5.965991     11.317919
  C      -4.533552     -6.224884     12.450512
  C      -5.584232     -7.158868     12.411901
  C      -6.406292     -7.435274     13.610520
  C      -6.825258     -8.743232     13.911205
  C      -7.601028     -9.003906     15.041005
  C      -7.979363     -7.960742     15.891506
  C      -7.576352     -6.654473     15.600273
  C      -6.796673     -6.395058     14.472230
  C      -5.830742     -7.821896     11.198015
  C      -5.069142     -7.545263     10.063227
  H      -0.037639     -3.401670      2.631421
  H      -0.168463     -1.888691      1.709820
  H      -0.624988     -3.424761      0.945513
  H      -2.004950     -1.953435      3.243482
  H      -4.026414     -2.102599      1.675707
  H      -2.901809     -2.527249      0.379109
  H      -1.712278     -0.356057      0.652005
  H      -2.680315      0.013888      2.090851
  H      -5.223784      0.258481      1.833746
  H      -7.002466      1.217316      0.414344
  H      -5.560711      3.077253     -3.360263
  H      -7.350411      4.019977     -4.792177
  H      -9.713685      3.283228     -4.493092
  H     -10.265325      1.584908     -2.752802
  H      -8.471106      0.626317     -1.335192
  H      -4.360847      1.078635     -2.984885
  H      -2.571710      0.143212     -1.555954
  H      -8.561300     -2.725989      2.060863
  H      -7.183159     -1.793368      1.411729
  H      -8.311097     -1.044603      2.568371
  H      -6.297774     -1.562003      3.762072
  H      -8.476038     -3.600519      4.435945
  H      -8.405413     -1.919682      4.963858
  H      -6.609847     -2.309947      6.477876
  H      -6.007091     -3.665069      5.489681
  H      -8.311652     -5.525416      5.361461
  H      -9.146459     -7.203485      6.948149
  H      -8.491461     -8.855423      8.361156
  H      -9.222088    -10.583508      9.976846
  H     -10.050830     -9.918471     12.233766
  H     -10.168213     -7.503640     12.841015
  H      -9.471864     -5.774786     11.214316
  H      -7.653032     -4.852099     10.234010
  H      -6.860199     -3.139782      8.643022
  H      -1.258389     -4.562168      5.748062
  H      -1.040340     -4.500859      7.519403
  H      -1.496937     -6.025604      6.731799
  H      -3.158167     -3.450903      6.859985
  H      -3.551846     -4.159999      8.943581
  H      -4.828012     -5.035846      8.104171
  H      -2.163108     -6.158954      9.139043
  H      -3.281239     -7.116692      8.155415
  H      -2.940802     -5.248637     11.380107
  H      -4.302085     -5.717196     13.388956
  H      -6.522217     -9.564702     13.259636
  H      -7.905311    -10.028148     15.263745
  H      -8.574302     -8.165219     16.778698
  H      -7.872008     -5.832556     16.254644
  H      -6.498834     -5.370004     14.242647
  H      -6.650137     -8.538908     11.135485
  H      -5.298423     -8.060925      9.126740
  N      -3.924444     -1.802350      4.973986
  H      -4.484002     -1.635584      5.818025
  H      -4.162060     -1.042360      4.325945
  H      -2.948810     -1.639941      5.246903
126
Coordinates from ORCA-job /scratch/magstr/orcajob__5658506-Qzcs/orca E -6458.486533264917
  N      -2.677136     -3.900272      2.905910
  C      -2.506868     -5.096147      2.073408
  C      -3.197800     -6.270459      2.749559
  N      -4.538899     -5.837212      3.246845
  C      -5.534899     -5.712830      2.141304
  C      -6.603824     -4.694117      2.509304
  N      -5.965895     -3.512511      3.108023
  Mo     -4.254877     -3.865583      4.095927
  N      -3.904118     -4.980523      5.701282
  C      -4.216611     -6.407185      5.627968
  C      -5.029020     -6.688246      4.367385
  H      -4.819993     -6.733803      6.493093
  H      -3.293814     -7.019434      5.643300
  H      -6.079218     -6.414010      4.541118
  H      -4.991343     -7.755648      4.092375
  H      -7.152672     -4.435567      1.587840
  H      -7.348200     -5.144114      3.193962
  H      -4.988206     -5.356874      1.257918
  H      -5.975411     -6.694552      1.902456
  H      -1.441811     -5.351297      1.943939
  H      -2.916233     -4.936923      1.056346
  H      -2.612283     -6.573752      3.627121
  H      -3.296529     -7.136504      2.075227
  C      -0.636423     -2.871700      1.869319
  C      -2.064011     -2.661438      2.379278
  C      -2.976469     -1.996321      1.329329
  C      -2.692425     -0.505332      1.096721
  C      -3.760661      0.123190      0.238207
  C      -5.016604      0.436714      0.780651
  C      -6.032943      0.969622     -0.008996
  C      -5.829896      1.212072     -1.380127
  C      -6.907296      1.779459     -2.221032
  C      -6.618962      2.727297     -3.219285
  C      -7.635481      3.263483     -4.010789
  C      -8.960826      2.860644     -3.822687
  C      -9.261488      1.918208     -2.834934
  C      -8.245229      1.384408     -2.041418
  C      -4.571390      0.899717     -1.922293
  C      -3.557699      0.364206     -1.126814
  C      -7.777959     -1.978814      2.305737
  C      -6.902363     -2.433175      3.477760
  C      -7.766675     -2.790613      4.712757
  C      -6.916421     -3.199368      5.917313
  C      -7.496496     -4.193316      6.884386
  C      -8.150016     -5.354241      6.441392
  C      -8.618203     -6.307442      7.342929
  C      -8.442480     -6.145411      8.729531
  C      -8.909411     -7.169716      9.687452
  C      -8.878424     -8.535361      9.352153
  C      -9.275967     -9.507131     10.271495
  C      -9.713517     -9.132484     11.545307
  C      -9.755995     -7.778524     11.889077
  C      -9.361894     -6.807795     10.968794
  C      -7.790571     -4.981554      9.172610
  C      -7.334761     -4.024658      8.266823
  C      -1.632202     -4.930590      6.717195
  C      -3.111707     -4.549866      6.865543
  C      -3.734120     -4.969840      8.222534
  C      -3.218679     -6.268875      8.871784
  C      -4.028214     -6.609293     10.098297
  C      -3.799425     -5.946655     11.313691
  C      -4.582038     -6.209702     12.436843
  C      -5.616489     -7.161664     12.390196
  C      -6.451921     -7.441920     13.578899
  C      -6.849257     -8.754820     13.888155
  C      -7.636305     -9.018717     15.009653
  C      -8.048859     -7.973969     15.842302
  C      -7.668414     -6.662977     15.541605
  C      -6.876830     -6.400212     14.422489
  C      -5.833943     -7.838004     11.177944
  C      -5.061051     -7.556078     10.051862
  H      -0.026076     -3.410824      2.608430
  H      -0.161001     -1.898227      1.685773
  H      -0.622440     -3.435198      0.925170
  H      -1.989777     -1.962004      3.230790
  H      -4.018361     -2.104805      1.674624
  H      -2.903812     -2.536782      0.370749
  H      -1.706819     -0.369427      0.626247
  H      -2.658752      0.007251      2.075060
  H      -5.201773      0.265108      1.845803
  H      -6.993090      1.226738      0.443398
  H      -5.589135      3.062472     -3.359125
  H      -7.392623      4.004670     -4.774673
  H      -9.755536      3.279189     -4.442728
  H     -10.292881      1.592452     -2.686056
  H      -8.485166      0.633927     -1.284969
  H      -4.392444      1.061149     -2.987201
  H      -2.590346      0.123188     -1.575442
  H      -8.547738     -2.724728      2.061129
  H      -7.167268     -1.796071      1.409666
  H      -8.292477     -1.043071      2.566986
  H      -6.278320     -1.565852      3.759262
  H      -8.459982     -3.599635      4.437847
  H      -8.388298     -1.917483      4.962996
  H      -6.589564     -2.305720      6.473849
  H      -5.989411     -3.665179      5.488043
  H      -8.309296     -5.518160      5.372573
  H      -9.143889     -7.188043      6.968475
  H      -8.505524     -8.840569      8.372303
  H      -9.230891    -10.562934      9.997171
  H     -10.014232     -9.891877     12.269078
  H     -10.092446     -7.476565     12.882190
  H      -9.407502     -5.752704     11.244947
  H      -7.611807     -4.839937     10.239998
  H      -6.823534     -3.133400      8.640551
  H      -1.244474     -4.556665      5.758219
  H      -1.036270     -4.491651      7.531029
  H      -1.485410     -6.019245      6.743369
  H      -3.153462     -3.447611      6.855568
  H      -3.560818     -4.151153      8.939486
  H      -4.825676     -5.037851      8.093817
  H      -2.162762     -6.139288      9.156105
  H      -3.262948     -7.108456      8.161945
  H      -2.989259     -5.215094     11.382408
  H      -4.372865     -5.691015     13.374870
  H      -6.519552     -9.577448     13.250655
  H      -7.922479    -10.046736     15.240133
  H      -8.647606     -8.179899     16.724078
  H      -7.989979     -5.839867     16.182570
  H      -6.596012     -5.371611     14.185896
  H      -6.640649     -8.569156     11.108842
  H      -5.268414     -8.081992      9.115574
  N      -3.908429     -1.805122      4.963983
  H      -4.470735     -1.635381      5.805894
  H      -4.142871     -1.046481      4.312707
  H      -2.932938     -1.644270      5.239581
126
Coordinates from ORCA-job /scratch/magstr/orcajob__5658506-Qzcs/orca E -6458.486796964632
  N      -2.641084     -3.920559      2.881678
  C      -2.477086     -5.116458      2.047322
  C      -3.164944     -6.290326      2.728326
  N      -4.502766     -5.856932      3.234851
  C      -5.505368     -5.733569      2.135127
  C      -6.571818     -4.713330      2.507530
  N      -5.928167     -3.532303      3.100422
  Mo     -4.213329     -3.884919      4.078794
  N      -3.866056     -4.995657      5.686799
  C      -4.170512     -6.424232      5.615453
  C      -4.986588     -6.708904      4.357735
  H      -4.768518     -6.754236      6.483514
  H      -3.243937     -7.031419      5.625848
  H      -6.036645     -6.435470      4.536951
  H      -4.948505     -7.776660      4.083374
  H      -7.125512     -4.455546      1.588606
  H      -7.311962     -5.161915      3.198014
  H      -4.964343     -5.377156      1.248053
  H      -5.947688     -6.715458      1.899273
  H      -1.413007     -5.373408      1.912165
  H      -2.892512     -4.957068      1.032551
  H      -2.572768     -6.592174      3.602455
  H      -3.267196     -7.157302      2.055218
  C      -0.610293     -2.890141      1.823144
  C      -2.030933     -2.680528      2.352605
  C      -2.955509     -2.008964      1.315796
  C      -2.664384     -0.520306      1.074283
  C      -3.752203      0.114568      0.244829
  C      -4.986803      0.445864      0.824910
  C      -6.023028      0.982482      0.063866
  C      -5.862428      1.211149     -1.315349
  C      -6.962629      1.778711     -2.126706
  C      -6.700563      2.714605     -3.143711
  C      -7.738630      3.249535     -3.907969
  C      -9.059953      2.857250     -3.673646
  C      -9.334721      1.926701     -2.667019
  C      -8.296891      1.394307     -1.900649
  C      -4.624737      0.882177     -1.895106
  C      -3.591049      0.342579     -1.128203
  C      -7.732122     -1.986981      2.300390
  C      -6.858634     -2.448208      3.471522
  C      -7.724402     -2.804281      4.706241
  C      -6.873336     -3.217375      5.908636
  C      -7.457206     -4.211947      6.874124
  C      -8.123490     -5.365188      6.429316
  C      -8.599812     -6.316309      7.328963
  C      -8.417046     -6.162679      8.715895
  C      -8.900879     -7.181287      9.672275
  C      -8.912663     -8.544844      9.326044
  C      -9.335723     -9.511763     10.239388
  C      -9.753917     -9.134775     11.519192
  C      -9.750677     -7.783265     11.875351
  C      -9.334030     -6.817121     10.960154
  C      -7.747909     -5.008871      9.160521
  C      -7.286302     -4.052475      8.256857
  C      -1.602131     -4.942681      6.723693
  C      -3.082185     -4.556261      6.854102
  C      -3.718215     -4.960139      8.209769
  C      -3.214268     -6.254551      8.877325
  C      -4.043498     -6.579505     10.095246
  C      -3.847340     -5.888319     11.300668
  C      -4.647003     -6.140535     12.414510
  C      -5.664722     -7.110756     12.369155
  C      -6.514818     -7.382387     13.549683
  C      -6.870780     -8.697860     13.896410
  C      -7.670984     -8.952600     15.010910
  C      -8.141220     -7.896087     15.796907
  C      -7.801948     -6.582882     15.458313
  C      -6.994671     -6.329089     14.348243
  C      -5.851259     -7.812989     11.166608
  C      -5.062671     -7.541002     10.048714
  H       0.009017     -3.432099      2.553528
  H      -0.136374     -1.916225      1.636107
  H      -0.608904     -3.451493      0.877081
  H      -1.946288     -1.985499      3.207463
  H      -3.991922     -2.107715      1.680226
  H      -2.902902     -2.551870      0.356967
  H      -1.691195     -0.393476      0.575572
  H      -2.600551     -0.007458      2.051259
  H      -5.139746      0.282883      1.897182
  H      -6.966224      1.252157      0.545111
  H      -5.673187      3.041752     -3.320260
  H      -7.515452      3.981379     -4.687532
  H      -9.871851      3.274843     -4.272738
  H     -10.363411      1.609160     -2.481800
  H      -8.517657      0.652112     -1.129457
  H      -4.478940      1.032375     -2.967234
  H      -2.640867      0.087397     -1.606202
  H      -8.505925     -2.729009      2.054641
  H      -7.119788     -1.805795      1.404485
  H      -8.241757     -1.048642      2.563418
  H      -6.228045     -1.586329      3.755017
  H      -8.417924     -3.612695      4.429569
  H      -8.345061     -1.930687      4.957961
  H      -6.546098     -2.324679      6.467303
  H      -5.946978     -3.685712      5.478161
  H      -8.286593     -5.524840      5.359776
  H      -9.139080     -7.188283      6.952253
  H      -8.555824     -8.853360      8.340545
  H      -9.326401    -10.566494      9.955169
  H     -10.072741     -9.891121     12.239228
  H     -10.065739     -7.480258     12.875951
  H      -9.348429     -5.762987     11.245409
  H      -7.562427     -4.873462     10.228048
  H      -6.765485     -3.167035      8.632910
  H      -1.204140     -4.577999      5.764792
  H      -1.012093     -4.498345      7.539433
  H      -1.459281     -6.031982      6.760092
  H      -3.121181     -3.453878      6.830767
  H      -3.549899     -4.134630      8.920396
  H      -4.808136     -5.026950      8.070269
  H      -2.161708     -6.124296      9.174997
  H      -3.252642     -7.101158      8.174912
  H      -3.048859     -5.143114     11.369265
  H      -4.462732     -5.599927     13.346029
  H      -6.497982     -9.529303     13.294030
  H      -7.924518     -9.982584     15.271338
  H      -8.746184     -8.092152     16.674267
  H      -8.167332     -5.750469     16.063729
  H      -6.745323     -5.298831     14.082585
  H      -6.648000     -8.555747     11.097258
  H      -5.245725     -8.087681      9.118570
  N      -3.869522     -1.820206      4.943409
  H      -4.442568     -1.646403      5.777726
  H      -4.094284     -1.063670      4.285372
  H      -2.896100     -1.662638      5.230290
126
Coordinates from ORCA-job /scratch/magstr/orcajob__5658506-Qzcs/orca E -6458.486973960243
  N      -2.604583     -3.936897      2.853486
  C      -2.442438     -5.130319      2.015870
  C      -3.123945     -6.306772      2.700179
  N      -4.459523     -5.878785      3.215740
  C      -5.467428     -5.759538      2.121712
  C      -6.534890     -4.742090      2.499025
  N      -5.890121     -3.560567      3.086762
  Mo     -4.171793     -3.907130      4.056612
  N      -3.829006     -5.014270      5.666182
  C      -4.119241     -6.445139      5.594273
  C      -4.935521     -6.735053      4.337976
  H      -4.710264     -6.782584      6.464128
  H      -3.186327     -7.042866      5.598771
  H      -5.986248     -6.466369      4.521719
  H      -4.892465     -7.802348      4.062615
  H      -7.094416     -4.486504      1.582990
  H      -7.268791     -5.192637      3.194990
  H      -4.933055     -5.399770      1.231883
  H      -5.907955     -6.742758      1.887787
  H      -1.378551     -5.385694      1.875710
  H      -2.863619     -4.970937      1.003437
  H      -2.524418     -6.605425      3.570661
  H      -3.226048     -7.174372      2.027669
  C      -0.582875     -2.899276      1.781053
  C      -1.996596     -2.693792      2.329882
  C      -2.931898     -2.011326      1.308714
  C      -2.634885     -0.523698      1.065043
  C      -3.741297      0.117904      0.265645
  C      -4.953756      0.464078      0.881824
  C      -6.009713      1.001597      0.149828
  C      -5.891906      1.217136     -1.235328
  C      -7.015191      1.781130     -2.016792
  C      -6.783767      2.711074     -3.046274
  C      -7.843763      3.240430     -3.783170
  C      -9.157039      2.848276     -3.508819
  C      -9.401506      1.923627     -2.489506
  C      -8.341768      1.396979     -1.750349
  C      -4.675532      0.875351     -1.851090
  C      -3.622282      0.333876     -1.113335
  C      -7.692568     -2.013690      2.288176
  C      -6.820624     -2.477894      3.459349
  C      -7.688499     -2.838707      4.691234
  C      -6.836294     -3.250777      5.892711
  C      -7.422616     -4.244191      6.859232
  C      -8.078519     -5.404390      6.417741
  C      -8.562896     -6.348405      7.320076
  C      -8.402044     -6.180275      8.707882
  C      -8.907602     -7.185038      9.668025
  C      -8.908742     -8.554178      9.344224
  C      -9.363004     -9.505880     10.257962
  C      -9.826217     -9.108278     11.515419
  C      -9.834060     -7.751648     11.849369
  C      -9.382367     -6.801161     10.935228
  C      -7.740278     -5.021079      9.149091
  C      -7.268168     -4.073256      8.242460
  C      -1.569806     -4.966163      6.713992
  C      -3.048371     -4.569708      6.833339
  C      -3.693233     -4.957920      8.189315
  C      -3.209871     -6.255356      8.866236
  C      -4.056639     -6.562325     10.077082
  C      -3.881205     -5.848354     11.272007
  C      -4.693625     -6.086493     12.379033
  C      -5.705210     -7.062531     12.336556
  C      -6.566700     -7.317683     13.512125
  C      -6.901535     -8.628812     13.892279
  C      -7.711435     -8.866686     15.003170
  C      -8.212693     -7.797672     15.751478
  C      -7.893687     -6.488759     15.379061
  C      -7.076882     -6.251368     14.272802
  C      -5.874083     -7.784750     11.143905
  C      -5.070354     -7.529178     10.032936
  H       0.044005     -3.448985      2.499239
  H      -0.110176     -1.924102      1.597946
  H      -0.593235     -3.451745      0.829786
  H      -1.902908     -2.008162      3.191693
  H      -3.962742     -2.102761      1.690274
  H      -2.897276     -2.552094      0.347943
  H      -1.674971     -0.402703      0.540085
  H      -2.543644     -0.014703      2.041640
  H      -5.074591      0.308193      1.959365
  H      -6.935578      1.280908      0.658598
  H      -5.762262      3.038004     -3.254853
  H      -7.643804      3.967554     -4.573480
  H      -9.986354      3.261524     -4.086841
  H     -10.424183      1.606368     -2.272677
  H      -8.539921      0.658416     -0.969444
  H      -4.562814      1.015734     -2.928596
  H      -2.689912      0.067207     -1.619508
  H      -8.465676     -2.755591      2.039828
  H      -7.078260     -1.830203      1.394088
  H      -8.202422     -1.075915      2.552633
  H      -6.189124     -1.618474      3.747130
  H      -8.376640     -3.650160      4.410729
  H      -8.313388     -1.968492      4.943643
  H      -6.515585     -2.355973      6.451998
  H      -5.908007     -3.717979      5.463893
  H      -8.224359     -5.577412      5.347676
  H      -9.095291     -7.224743      6.943705
  H      -8.519496     -8.879491      8.376583
  H      -9.346555    -10.564980      9.990392
  H     -10.173115     -9.852471     12.235296
  H     -10.184121     -7.432437     12.833159
  H      -9.408031     -5.742696     11.203339
  H      -7.567238     -4.874754     10.217283
  H      -6.756739     -3.181807      8.617434
  H      -1.165275     -4.612160      5.753673
  H      -0.980583     -4.518311      7.528324
  H      -1.434339     -6.056002      6.759837
  H      -3.080972     -3.467419      6.798540
  H      -3.519037     -4.130158      8.895694
  H      -4.782527     -5.014661      8.044478
  H      -2.158522     -6.136906      9.173142
  H      -3.254900     -7.104247      8.167182
  H      -3.088294     -5.096920     11.338109
  H      -4.526113     -5.528030     13.303308
  H      -6.504726     -9.469854     13.318787
  H      -7.949217     -9.893497     15.289873
  H      -8.822473     -7.978084     16.627996
  H      -8.283278     -5.646369     15.955071
  H      -6.842425     -5.224461     13.981218
  H      -6.667603     -8.531630     11.077177
  H      -5.237335     -8.092553      9.109669
  N      -3.842171     -1.836523      4.919455
  H      -4.432691     -1.660804      5.740966
  H      -4.054562     -1.083846      4.253009
  H      -2.874188     -1.679732      5.224411
126
Coordinates from ORCA-job /scratch/magstr/orcajob__5658506-Qzcs/orca E -6458.487064421275
  N      -2.597067     -3.949891      2.829359
  C      -2.436073     -5.138946      1.986154
  C      -3.110055     -6.319777      2.671396
  N      -4.443677     -5.898446      3.196733
  C      -5.457594     -5.781154      2.108550
  C      -6.526280     -4.767670      2.494073
  N      -5.881258     -3.585894      3.079821
  Mo     -4.158354     -3.928847      4.039679
  N      -3.816534     -5.036188      5.647922
  C      -4.093555     -6.469402      5.572223
  C      -4.910437     -6.762028      4.316856
  H      -4.677841     -6.815684      6.442613
  H      -3.155001     -7.057922      5.570172
  H      -5.961737     -6.500220      4.505443
  H      -4.861121     -7.827809      4.037872
  H      -7.092376     -4.512625      1.582085
  H      -7.253675     -5.222299      3.194038
  H      -4.930248     -5.416669      1.216597
  H      -5.896134     -6.765093      1.874816
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  H      -3.212195     -7.186293      1.997820
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  C      -2.621276     -0.519151      1.073461
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  C      -5.997850      1.025497      0.199486
  C      -5.897079      1.236322     -1.187353
  C      -7.027843      1.802342     -1.955907
  C      -6.807348      2.735808     -2.984167
  C      -7.874744      3.265935     -3.709240
  C      -9.184640      2.871067     -3.424000
  C      -9.418227      1.943038     -2.405527
  C      -8.351063      1.415637     -1.678179
  C      -4.690658      0.887396     -1.817785
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  C      -7.688036     -2.039364      2.290660
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  C      -7.678565     -2.873633      4.690587
  C      -6.821953     -3.288909      5.887813
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  C      -8.908978     -7.213681      9.663488
  C      -8.901194     -8.584333      9.347047
  C      -9.361041     -9.533039     10.260554
  C      -9.839742     -9.131013     11.510548
  C      -9.855859     -7.772986     11.837313
  C      -9.397051     -6.825647     10.923809
  C      -7.741076     -5.050135      9.144815
  C      -7.264864     -4.105306      8.237724
  C      -1.556765     -4.988144      6.697107
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  C      -3.199669     -6.256384      8.862932
  C      -4.054034     -6.549494     10.072320
  C      -3.901929     -5.804216     11.251048
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  C      -7.729971     -8.769623     15.020948
  C      -8.255714     -7.686657     15.730860
  C      -7.955669     -6.384906     15.319823
  C      -7.132681     -6.168307     14.214215
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  C      -5.052083     -7.532531     10.041202
  H       0.051444     -3.468343      2.465903
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  H      -0.594871     -3.447158      0.800601
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  H      -5.788518      3.064458     -3.201499
  H      -7.683154      3.995581     -4.498853
  H     -10.019626      3.284915     -3.992745
  H     -10.438123      1.624024     -2.179942
  H      -8.541174      0.674630     -0.897972
  H      -4.590644      1.025820     -2.896546
  H      -2.706757      0.070427     -1.610116
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  H      -6.183083     -1.647616      3.749300
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  H      -9.074688     -7.265552      6.939195
  H      -8.499683     -8.913341      8.385987
  H      -9.337373    -10.593067      9.998566
  H     -10.193421     -9.872387     12.229572
  H     -10.218686     -7.449962     12.814768
  H      -9.426700     -5.766496     11.187938
  H      -7.573093     -4.899956     10.213085
  H      -6.757303     -3.212054      8.612753
  H      -1.152052     -4.642785      5.733920
  H      -0.966810     -4.534414      7.507171
  H      -1.423296     -6.077506      6.751739
  H      -3.064562     -3.486422      6.771025
  H      -3.505500     -4.130409      8.870126
  H      -4.769204     -5.023223      8.026406
  H      -2.149933     -6.136283      9.173873
  H      -3.243747     -7.111275      8.172011
  H      -3.121788     -5.039219     11.306869
  H      -4.576872     -5.441812     13.265258
  H      -6.495280     -9.404168     13.368619
  H      -7.953617     -9.790583     15.337219
  H      -8.869628     -7.848489     16.608423
  H      -8.365521     -5.531937     15.864851
  H      -6.911953     -5.147605     13.892730
  H      -6.649112     -8.529279     11.092387
  H      -5.199168     -8.121091      9.130720
  N      -3.842570     -1.854526      4.904244
  H      -4.446387     -1.680666      5.715933
  H      -4.047249     -1.104531      4.233138
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126
Coordinates from ORCA-job /scratch/magstr/orcajob__5658506-Qzcs/orca E -6458.487138414403
  N      -2.590960     -3.957688      2.802881
  C      -2.432016     -5.142989      1.954719
  C      -3.095561     -6.327986      2.643628
  N      -4.426861     -5.913187      3.180619
  C      -5.448935     -5.799755      2.099259
  C      -6.518820     -4.790416      2.493937
  N      -5.873371     -3.606469      3.075166
  Mo     -4.144054     -3.943999      4.023116
  N      -3.803980     -5.049722      5.631838
  C      -4.063284     -6.486492      5.553283
  C      -4.881327     -6.784772      4.299862
  H      -4.639097     -6.842654      6.424995
  H      -3.117388     -7.062520      5.544606
  H      -5.933736     -6.532753      4.493821
  H      -4.822935     -7.848897      4.017713
  H      -7.093560     -4.537761      1.586873
  H      -7.238118     -5.248770      3.199681
  H      -4.930263     -5.431634      1.203866
  H      -5.885272     -6.784932      1.867851
  H      -1.368858     -5.391748      1.799471
  H      -2.868318     -4.981406      0.949276
  H      -2.479361     -6.622336      3.503895
  H      -3.198768     -7.194295      1.970329
  C      -0.571131     -2.911596      1.734859
  C      -1.976552     -2.708987      2.303552
  C      -2.916720     -2.000820      1.304964
  C      -2.611483     -0.511149      1.080533
  C      -3.727200      0.142789      0.304478
  C      -4.922851      0.502693      0.944296
  C      -5.990401      1.043305      0.232049
  C      -5.900657      1.248994     -1.156139
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  C      -6.822588      2.754352     -2.941697
  C      -7.894756      3.284860     -3.659365
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  C      -9.428623      1.951862     -2.354592
  C      -8.356642      1.424067     -1.634654
  C      -4.700650      0.895250     -1.795650
  C      -3.636222      0.350201     -1.077704
  C      -7.687356     -2.063746      2.295121
  C      -6.808161     -2.530624      3.459633
  C      -7.667805     -2.902531      4.694205
  C      -6.804548     -3.317079      5.887469
  C      -7.390818     -4.304163      6.859901
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  C      -8.393966     -6.213180      8.723541
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  C      -9.362847     -9.517792     10.310655
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  C      -9.419624     -6.802002     10.936382
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  C      -7.261719     -4.109808      8.242637
  C      -1.546121     -4.993956      6.687712
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  H       0.058360     -3.484818      2.431256
  H      -0.092553     -1.936145      1.572951
  H      -0.596467     -3.439137      0.770365
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  H      -5.022064      0.353723      2.024482
  H      -6.902331      1.333226      0.758411
  H      -5.805777      3.086176     -3.162337
  H      -7.708769      4.018483     -4.446197
  H     -10.040649      3.299179     -3.932768
  H     -10.446336      1.629430     -2.125562
  H      -8.541262      0.679900     -0.856508
  H      -4.608708      1.031844     -2.875125
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  H      -8.198494     -1.129283      2.566651
  H      -6.180711     -1.670120      3.750702
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  H      -8.294758     -2.037166      4.955919
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  H      -5.878364     -3.780823      5.456437
  H      -8.157851     -5.667517      5.358459
  H      -9.046652     -7.291922      6.965153
  H      -8.476326     -8.919763      8.441489
  H      -9.329782    -10.580855     10.063720
  H     -10.226242     -9.833731     12.270079
  H     -10.270261     -7.403732     12.821122
  H      -9.454381     -5.740042     11.187292
  H      -7.586037     -4.880801     10.224213
  H      -6.760022     -3.211142      8.611721
  H      -1.140152     -4.655155      5.722919
  H      -0.959710     -4.531956      7.495207
  H      -1.409860     -6.082214      6.751396
  H      -3.056479     -3.495404      6.750898
  H      -3.506146     -4.129807      8.848174
  H      -4.763104     -5.034732      8.004912
  H      -2.145726     -6.129595      9.172798
  H      -3.228823     -7.112672      8.166625
  H      -3.183909     -4.981655     11.269019
  H      -4.655826     -5.378051     13.215868
  H      -6.459124     -9.385069     13.402609
  H      -7.923602     -9.755633     15.370012
  H      -8.903612     -7.802901     16.577739
  H      -8.465737     -5.497780     15.764862
  H      -7.007581     -5.130016     13.792395
  H      -6.603070     -8.579859     11.096081
  H      -5.135635     -8.177634      9.143187
  N      -3.844700     -1.863185      4.884791
  H      -4.463427     -1.691128      5.685096
  H      -4.041959     -1.117937      4.207011
  H      -2.888074     -1.701371      5.217937
126
Coordinates from ORCA-job /scratch/magstr/orcajob__5658506-Qzcs/orca E -6458.491107069563
  N      -2.585686     -3.948281      2.797251
  C      -2.433107     -5.126072      1.950032
  C      -3.090620     -6.310181      2.636669
  N      -4.416504     -5.906651      3.176575
  C      -5.445056     -5.784584      2.111673
  C      -6.513756     -4.793367      2.535188
  N      -5.872380     -3.617194      3.120768
  Mo     -4.122991     -3.931389      4.032804
  N      -3.793470     -5.060310      5.622966
  C      -4.050382     -6.489235      5.541916
  C      -4.868356     -6.775304      4.292295
  H      -4.622576     -6.844446      6.415926
  H      -3.104197     -7.062223      5.536324
  H      -5.918775     -6.520635      4.476671
  H      -4.815426     -7.835086      3.996366
  H      -7.102461     -4.526048      1.642133
  H      -7.224076     -5.260577      3.242159
  H      -4.930512     -5.414041      1.217641
  H      -5.871753     -6.772718      1.878927
  H      -1.370317     -5.366871      1.784766
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  H      -2.482749     -6.618056      3.494836
  H      -3.202620     -7.171926      1.960596
  C      -0.577915     -2.919223      1.725543
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  C      -2.618883     -0.528468      1.054715
  C      -3.729335      0.132771      0.285147
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  C      -5.893651      1.244951     -1.160799
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  C      -7.876815      3.279407     -3.651022
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  C      -3.641354      0.342680     -1.091507
  C      -7.682714     -2.093324      2.333764
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  C      -9.329689     -9.587681     10.240063
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  H       0.049015     -3.478392      2.428777
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  H      -5.794841      3.061500     -3.170923
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  H     -10.016028      3.317827     -3.905447
  H     -10.424690      1.669628     -2.092294
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  H      -4.612438      1.027611     -2.877504
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  H      -7.071214     -1.900662      1.445462
  H      -8.202411     -1.163499      2.593476
  H      -6.190594     -1.685116      3.794306
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  H      -8.316331     -2.049758      4.976394
  H      -6.520891     -2.419177      6.502789
  H      -5.926836     -3.786413      5.541609
  H      -8.173824     -5.645338      5.389226
  H      -9.046266     -7.302555      6.959671
  H      -8.475109     -8.938060      8.383673
  H      -9.285319    -10.640315      9.968966
  H     -10.161130     -9.959380     12.193929
  H     -10.233055     -7.551918     12.798566
  H      -9.458303     -5.847637     11.201864
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  H      -6.826149     -3.233114      8.675351
  H      -1.128066     -4.686415      5.719987
  H      -0.959403     -4.572201      7.486951
  H      -1.418669     -6.106914      6.740737
  H      -3.044081     -3.509735      6.742048
  H      -3.510391     -4.137137      8.825744
  H      -4.770571     -5.019255      7.983042
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  H      -8.399165     -5.405679     15.777481
  H      -6.963436     -5.065072     13.796800
  H      -6.642802     -8.519229     11.101035
  H      -5.186992     -8.151839      9.149899
  N      -3.786243     -1.816827      4.899135
  H      -4.391695     -1.640730      5.703795
  H      -3.983863     -1.074351      4.225601
  H      -2.828343     -1.664785      5.218720
126
Coordinates from ORCA-job /scratch/magstr/orcajob__5658506-Qzcs/orca E -6458.492781245315
  N      -2.544058     -3.962693      2.762591
  C      -2.395750     -5.141217      1.909555
  C      -3.049337     -6.327825      2.598412
  N      -4.373719     -5.922995      3.150290
  C      -5.409559     -5.797755      2.087895
  C      -6.477924     -4.807939      2.520722
  N      -5.831585     -3.633996      3.112631
  Mo     -4.074836     -3.948442      4.008498
  N      -3.755290     -5.078384      5.600523
  C      -3.996674     -6.513248      5.513410
  C      -4.819010     -6.801211      4.265484
  H      -4.560726     -6.879528      6.387957
  H      -3.044040     -7.075924      5.498183
  H      -5.870306     -6.551731      4.458257
  H      -4.762251     -7.860035      3.966056
  H      -7.069711     -4.535823      1.631034
  H      -7.184676     -5.280863      3.228050
  H      -4.901678     -5.419634      1.192269
  H      -5.836600     -6.785236      1.851580
  H      -1.334154     -5.383622      1.737874
  H      -2.843652     -4.972526      0.911337
  H      -2.432516     -6.636496      3.451238
  H      -3.165065     -7.188599      1.921051
  C      -0.541495     -2.919175      1.680135
  C      -1.943300     -2.714118      2.253696
  C      -2.893231     -2.016074      1.267144
  C      -2.583379     -0.531018      1.025320
  C      -3.713634      0.132830      0.284673
  C      -4.878773      0.510901      0.961620
  C      -5.963455      1.053177      0.284939
  C      -5.923135      1.241252     -1.104988
  C      -7.078283      1.808647     -1.828672
  C      -6.894301      2.715968     -2.882406
  C      -7.984889      3.246761     -3.564287
  C      -9.281929      2.879562     -3.208778
  C      -9.479194      1.977873     -2.163889
  C      -8.388710      1.449118     -1.480375
  C      -4.753002      0.870163     -1.781869
  C      -3.670663      0.325033     -1.098925
  C      -7.624807     -2.082716      2.326502
  C      -6.766112     -2.557655      3.501189
  C      -7.640770     -2.927716      4.720377
  C      -6.805500     -3.328146      5.937993
  C      -7.408930     -4.310358      6.904744
  C      -8.025586     -5.485649      6.457390
  C      -8.524789     -6.423156      7.352118
  C      -8.417573     -6.234344      8.738546
  C      -8.935610     -7.238685      9.687548
  C      -8.911831     -8.606507      9.373847
  C      -9.375378     -9.555914     10.279070
  C      -9.875213     -9.157978     11.518273
  C      -9.907760     -7.803203     11.841985
  C      -9.443954     -6.855096     10.937067
  C      -7.793842     -5.060621      9.186266
  C      -7.309468     -4.116963      8.286737
  C      -1.520754     -5.031047      6.691846
  C      -2.994080     -4.620938      6.773603
  C      -3.676903     -4.977189      8.117712
  C      -3.222564     -6.258404      8.838381
  C      -4.096931     -6.529817     10.036111
  C      -4.019051     -5.709587     11.168083
  C      -4.857158     -5.908330     12.257410
  C      -5.800161     -6.947247     12.261102
  C      -6.688610     -7.151824     13.422758
  C      -6.954169     -8.438147     13.911128
  C      -7.773837     -8.624443     15.019945
  C      -8.352790     -7.528494     15.658408
  C      -8.108838     -6.244364     15.172035
  C      -7.285344     -6.057912     14.065938
  C      -5.868740     -7.777621     11.135529
  C      -5.036492     -7.564249     10.040594
  H       0.094139     -3.479976      2.376539
  H      -0.065272     -1.947438      1.500910
  H      -0.568731     -3.455568      0.723059
  H      -1.831592     -2.049501      3.126367
  H      -3.918013     -2.091883      1.666870
  H      -2.897672     -2.551525      0.304928
  H      -1.647024     -0.415141      0.462871
  H      -2.441364     -0.035542      2.000040
  H      -4.938757      0.378669      2.043681
  H      -6.849393      1.359470      0.839850
  H      -5.885209      3.023943     -3.153714
  H      -7.820994      3.956560     -4.373873
  H     -10.134880      3.294265     -3.743454
  H     -10.488616      1.679590     -1.883936
  H      -8.551209      0.728332     -0.679496
  H      -4.699151      0.993764     -2.862858
  H      -2.776328      0.035797     -1.651802
  H      -8.395481     -2.817544      2.062670
  H      -7.005707     -1.887169      1.442426
  H      -8.137651     -1.149724      2.592998
  H      -6.134787     -1.702744      3.798720
  H      -8.318600     -3.743469      4.432294
  H      -8.279246     -2.065900      4.961865
  H      -6.485393     -2.431564      6.490983
  H      -5.886252     -3.809013      5.536771
  H      -8.126100     -5.675826      5.388464
  H      -9.023073     -7.313211      6.970017
  H      -8.492037     -8.933097      8.423587
  H      -9.336657    -10.613148     10.019550
  H     -10.233129     -9.899420     12.230564
  H     -10.288073     -7.481869     12.809725
  H      -9.483461     -5.799370     11.200911
  H      -7.656707     -4.899433     10.254496
  H      -6.824679     -3.216678      8.666150
  H      -1.086871     -4.699681      5.739298
  H      -0.946371     -4.577455      7.510112
  H      -1.393194     -6.117890      6.762385
  H      -3.020324     -3.520498      6.721120
  H      -3.516901     -4.133557      8.805218
  H      -4.762689     -5.028375      7.950720
  H      -2.178631     -6.144972      9.165786
  H      -3.252531     -7.122945      8.161748
  H      -3.281756     -4.906381     11.199609
  H      -4.767196     -5.266542     13.133185
  H      -6.492219     -9.297817     13.427258
  H      -7.954264     -9.631384     15.393876
  H      -8.963287     -7.664519     16.546565
  H      -8.563053     -5.381939     15.658328
  H      -7.107093     -5.052615     13.685401
  H      -6.606235     -8.578086     11.107242
  H      -5.122898     -8.213140      9.167966
  N      -3.748592     -1.827768      4.875051
  H      -4.374440     -1.648983      5.664794
  H      -3.929581     -1.087992      4.191965
  H      -2.796628     -1.678116      5.216624
126
Coordinates from ORCA-job /scratch/magstr/orcajob__5658506-Qzcs/orca E -6458.494132431842
  N      -2.480424     -3.965597      2.767790
  C      -2.334898     -5.150268      1.920111
  C      -3.006103     -6.328689      2.605868
  N      -4.331775     -5.906229      3.142579
  C      -5.352718     -5.759934      2.067232
  C      -6.419133     -4.766275      2.496723
  N      -5.768942     -3.606976      3.113662
  Mo     -4.016930     -3.940162      4.006822
  N      -3.721215     -5.073660      5.599739
  C      -3.978107     -6.506169      5.505782
  C      -4.801341     -6.777736      4.254106
  H      -4.551432     -6.869002      6.376223
  H      -3.032543     -7.081936      5.491206
  H      -5.850263     -6.510474      4.443781
  H      -4.761766     -7.838033      3.954435
  H      -6.994802     -4.475984      1.601915
  H      -7.140200     -5.243115      3.187578
  H      -4.831546     -5.374297      1.181352
  H      -5.784503     -6.741937      1.813943
  H      -1.273934     -5.403760      1.758388
  H      -2.772510     -4.981432      0.916758
  H      -2.399808     -6.644867      3.464767
  H      -3.124617     -7.188647      1.926650
  C      -0.491127     -2.907365      1.663224
  C      -1.895383     -2.715845      2.237729
  C      -2.857370     -2.040222      1.243911
  C      -2.550262     -0.561776      0.958812
  C      -3.706924      0.093671      0.249327
  C      -4.841667      0.495808      0.967805
  C      -5.953898      1.029265      0.324392
  C      -5.974021      1.182715     -1.072579
  C      -7.159790      1.737385     -1.760323
  C      -7.020045      2.587812     -2.870275
  C      -8.139922      3.106572     -3.518206
  C      -9.423293      2.784289     -3.071756
  C      -9.577085      1.939544     -1.970378
  C      -8.457164      1.422686     -1.321162
  C      -4.833293      0.789009     -1.791007
  C      -3.722346      0.254174     -1.141127
  C      -7.509103     -2.001146      2.306120
  C      -6.682002     -2.510296      3.490367
  C      -7.584718     -2.879319      4.688437
  C      -6.773508     -3.283454      5.921163
  C      -7.405018     -4.259146      6.878964
  C      -8.020851     -5.434712      6.424080
  C      -8.530156     -6.374554      7.314601
  C      -8.437030     -6.187450      8.705023
  C      -8.963159     -7.193784      9.651176
  C      -8.955075     -8.561944      9.327065
  C      -9.421042     -9.515303     10.230874
  C      -9.905078     -9.121435     11.480301
  C      -9.921770     -7.766632     11.815137
  C      -9.459044     -6.814599     10.910273
  C      -7.815746     -5.012431      9.159498
  C      -7.318574     -4.068160      8.264175
  C      -1.508153     -5.032755      6.740283
  C      -2.982522     -4.616328      6.789392
  C      -3.690016     -4.972164      8.121949
  C      -3.255854     -6.263279      8.839711
  C      -4.134238     -6.529333     10.037079
  C      -4.044410     -5.721582     11.179988
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  C      -5.836598     -6.957907     12.267185
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  C      -7.844402     -8.669774     14.987920
  C      -8.398741     -7.577750     15.659110
  C      -8.121461     -6.284097     15.211152
  C      -7.291237     -6.084647     14.109302
  C      -5.920337     -7.771731     11.128042
  C      -5.088246     -7.553446     10.031337
  H       0.157631     -3.439074      2.373164
  H      -0.034861     -1.929753      1.457879
  H      -0.510842     -3.468409      0.718344
  H      -1.790528     -2.037191      3.102282
  H      -3.875968     -2.105048      1.662486
  H      -2.877135     -2.599685      0.294316
  H      -1.633526     -0.462570      0.359595
  H      -2.368075     -0.046426      1.918163
  H      -4.853163      0.393206      2.056974
  H      -6.814207      1.355685      0.911073
  H      -6.021166      2.863083     -3.212788
  H      -8.009472      3.772531     -4.372477
  H     -10.299277      3.189654     -3.579660
  H     -10.575966      1.675632     -1.619474
  H      -8.587392      0.744294     -0.475930
  H      -4.826685      0.883617     -2.878033
  H      -2.852883     -0.054821     -1.726025
  H      -8.290465     -2.717696      2.017732
  H      -6.868117     -1.806697      1.435356
  H      -8.008723     -1.060715      2.577130
  H      -6.033539     -1.675512      3.809321
  H      -8.258529     -3.693742      4.384616
  H      -8.228172     -2.016639      4.917762
  H      -6.450609     -2.387136      6.474544
  H      -5.850030     -3.779692      5.535339
  H      -8.110797     -5.624535      5.352053
  H      -9.029327     -7.263076      6.925290
  H      -8.544653     -8.886223      8.369592
  H      -9.395487    -10.572697      9.962579
  H     -10.260592     -9.866472     12.193063
  H     -10.284981     -7.449527     12.793328
  H      -9.490994     -5.758578     11.181498
  H      -7.689106     -4.851194     10.230668
  H      -6.834541     -3.167918      8.650281
  H      -1.049237     -4.690092      5.801807
  H      -0.951814     -4.592066      7.579844
  H      -1.388014     -6.122588      6.799994
  H      -3.004610     -3.515427      6.732394
  H      -3.531825     -4.134870      8.819510
  H      -4.774106     -5.008924      7.938506
  H      -2.208719     -6.165109      9.166337
  H      -3.296940     -7.126398      8.159904
  H      -3.295238     -4.926930     11.219885
  H      -4.779793     -5.297066     13.158328
  H      -6.579433     -9.328059     13.370818
  H      -8.049488     -9.684258     15.332898
  H      -9.011231     -7.724488     16.541117
  H      -8.555213     -5.424187     15.723906
  H      -7.088463     -5.070927     13.758785
  H      -6.671077     -8.561784     11.089358
  H      -5.187915     -8.189118      9.147937
  N      -3.669660     -1.829514      4.879452
  H      -4.299326     -1.641698      5.666153
  H      -3.834203     -1.084995      4.194230
  H      -2.716059     -1.695446      5.229157
126
Coordinates from ORCA-job /scratch/magstr/orcajob__5658506-Qzcs/orca E -6458.494823942618
  N      -2.455544     -3.972768      2.735427
  C      -2.307819     -5.157165      1.886870
  C      -2.970077     -6.338651      2.576430
  N      -4.294493     -5.920802      3.121096
  C      -5.320595     -5.773215      2.049911
  C      -6.392635     -4.791470      2.493196
  N      -5.746826     -3.634619      3.120046
  Mo     -3.982220     -3.955713      3.987345
  N      -3.693074     -5.088283      5.580489
  C      -3.932093     -6.524469      5.481945
  C      -4.756899     -6.798712      4.231692
  H      -4.499025     -6.897337      6.352246
  H      -2.979922     -7.089049      5.461833
  H      -5.806901     -6.538283      4.425703
  H      -4.711844     -7.857997      3.928759
  H      -6.973801     -4.495060      1.604000
  H      -7.107437     -5.281077      3.181807
  H      -4.806902     -5.375427      1.164868
  H      -5.745439     -6.756776      1.790204
  H      -1.246387     -5.406218      1.720369
  H      -2.750395     -4.991080      0.885128
  H      -2.356905     -6.654086      3.431041
  H      -3.089345     -7.198526      1.896826
  C      -0.474036     -2.904814      1.624917
  C      -1.877019     -2.719294      2.204584
  C      -2.843679     -2.044720      1.214198
  C      -2.523003     -0.573315      0.905860
  C      -3.689747      0.091837      0.221779
  C      -4.790472      0.534642      0.969830
  C      -5.914784      1.075976      0.352682
  C      -5.982199      1.195587     -1.046817
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  C      -7.065978      2.568130     -2.849251
  C      -8.198874      3.093780     -3.470126
  C      -9.471396      2.818221     -2.963078
  C      -9.601103      2.013326     -1.828321
  C      -8.468030      1.489559     -1.206293
  C      -4.874682      0.762011     -1.795208
  C      -3.751021      0.220612     -1.171443
  C      -7.480354     -2.019788      2.311840
  C      -6.659822     -2.537878      3.497138
  C      -7.567778     -2.916541      4.687391
  C      -6.760893     -3.310333      5.926705
  C      -7.399806     -4.280435      6.885863
  C      -7.991179     -5.470189      6.433908
  C      -8.505166     -6.406688      7.326437
  C      -8.442127     -6.201708      8.716806
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  C      -8.946517     -8.576673      9.352274
  C      -9.416810     -9.527561     10.257527
  C      -9.923449     -9.128017     11.497054
  C      -9.958416     -7.769932     11.820037
  C      -9.491409     -6.820489     10.913380
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  C      -7.342480     -4.071944      8.270748
  C      -1.499814     -5.024032      6.763045
  C      -2.978188     -4.617999      6.780822
  C      -3.706422     -4.969213      8.103571
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  C      -4.159911     -6.511836     10.031662
  C      -4.102372     -5.673527     11.155547
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  C      -7.042799     -8.438638     13.888991
  C      -7.871761     -8.633820     14.993536
  C      -8.444470     -7.539498     15.646643
  C      -8.182649     -6.247988     15.181117
  C      -7.349168     -6.052755     14.080083
  C      -5.922227     -7.776255     11.138705
  C      -5.085878     -7.562074     10.043275
  H       0.180773     -3.430011      2.334826
  H      -0.024617     -1.924947      1.413561
  H      -0.494419     -3.470045      0.682061
  H      -1.771693     -2.041485      3.070102
  H      -3.857919     -2.093083      1.645911
  H      -2.881946     -2.615918      0.271832
  H      -1.621480     -0.494257      0.280642
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  H      -4.763656      0.460829      2.061548
  H      -6.746636      1.435340      0.961463
  H      -6.075012      2.808060     -3.239393
  H      -8.086789      3.728820     -4.350714
  H     -10.357442      3.228924     -3.449753
  H     -10.591559      1.785843     -1.429855
  H      -8.580744      0.842033     -0.334184
  H      -4.904771      0.830330     -2.884211
  H      -2.908426     -0.119034     -1.779108
  H      -8.260216     -2.734597      2.013487
  H      -6.834548     -1.817679      1.446050
  H      -7.982161     -1.081643      2.587972
  H      -6.011944     -1.706210      3.825006
  H      -8.229659     -3.739482      4.379024
  H      -8.224602     -2.062129      4.911418
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  H      -5.834789     -3.809004      5.551977
  H      -8.058558     -5.673691      5.362168
  H      -8.985132     -7.306503      6.937761
  H      -8.518113     -8.905306      8.403670
  H      -9.376569    -10.587260      9.998498
  H     -10.282297     -9.870856     12.211145
  H     -10.339395     -7.448030     12.790414
  H      -9.538398     -5.762287     11.175556
  H      -7.741786     -4.835071     10.240076
  H      -6.876589     -3.160979      8.655341
  H      -1.023657     -4.678601      5.833768
  H      -0.964389     -4.578206      7.613879
  H      -1.373117     -6.113209      6.827151
  H      -3.007303     -3.517733      6.714448
  H      -3.563232     -4.126589      8.798390
  H      -4.787706     -5.011964      7.903381
  H      -2.229852     -6.151685      9.166751
  H      -3.311568     -7.122999      8.163770
  H      -3.374252     -4.858404     11.183113
  H      -4.866580     -5.222038     13.118115
  H      -6.588360     -9.297809     13.391848
  H      -8.064901     -9.646376     15.352087
  H      -9.058021     -7.680901     16.527769
  H      -8.631761     -5.386714     15.679025
  H      -7.159887     -5.041216     13.714737
  H      -6.651921     -8.586772     11.113492
  H      -5.159535     -8.221958      9.174646
  N      -3.646942     -1.837547      4.857765
  H      -4.288417     -1.650158      5.635404
  H      -3.804743     -1.097222      4.166019
  H      -2.697678     -1.701280      5.219299
126
Coordinates from ORCA-job /scratch/magstr/orcajob__5658506-Qzcs/orca E -6458.495511667988
  N      -2.406802     -3.969522      2.702256
  C      -2.260952     -5.151082      1.848850
  C      -2.920424     -6.335657      2.535793
  N      -4.240984     -5.918382      3.090670
  C      -5.272084     -5.756604      2.025848
  C      -6.345327     -4.786548      2.491907
  N      -5.699175     -3.640844      3.138951
  Mo     -3.920737     -3.961009      3.970690
  N      -3.646132     -5.103533      5.557487
  C      -3.874457     -6.541096      5.445690
  C      -4.701130     -6.806368      4.194990
  H      -4.437783     -6.925918      6.312951
  H      -2.918744     -7.099167      5.418065
  H      -5.750852     -6.548930      4.393856
  H      -4.655821     -7.862991      3.882534
  H      -6.930905     -4.473281      1.611599
  H      -7.056015     -5.291820      3.173471
  H      -4.764455     -5.342028      1.145031
  H      -5.693851     -6.737854      1.752026
  H      -1.200007     -5.399005      1.677123
  H      -2.706621     -4.981841      0.848994
  H      -2.302696     -6.659191      3.384210
  H      -3.045605     -7.190850      1.851017
  C      -0.438435     -2.887606      1.579949
  C      -1.839647     -2.712186      2.167727
  C      -2.817910     -2.046885      1.183129
  C      -2.495226     -0.582424      0.844720
  C      -3.679932      0.082943      0.192657
  C      -4.742993      0.560856      0.973561
  C      -5.887123      1.097757      0.388631
  C      -6.013407      1.176930     -1.010118
  C      -7.233907      1.732952     -1.635152
  C      -7.160652      2.496086     -2.814234
  C      -8.313831      3.016326     -3.402288
  C      -9.565330      2.783078     -2.825487
  C      -9.653396      2.025679     -1.654191
  C      -8.499952      1.507127     -1.065232
  C      -4.942696      0.709273     -1.791632
  C      -3.798999      0.172738     -1.200225
  C      -7.413800     -2.001165      2.336753
  C      -6.606350     -2.541107      3.521600
  C      -7.523565     -2.930741      4.700281
  C      -6.726959     -3.322851      5.947565
  C      -7.383040     -4.285662      6.902856
  C      -7.950783     -5.486245      6.448525
  C      -8.480111     -6.418260      7.337236
  C      -8.457139     -6.197702      8.726875
  C      -9.001588     -7.197768      9.670410
  C      -8.961846     -8.571484      9.367855
  C      -9.444445     -9.519637     10.269947
  C      -9.977328     -9.115382     11.497365
  C     -10.026452     -7.755098     11.810767
  C      -9.547501     -6.808414     10.906683
  C      -7.884904     -4.996606      9.181021
  C      -7.365961     -4.061323      8.286594
  C      -1.479687     -5.036055      6.791612
  C      -2.958504     -4.631070      6.773610
  C      -3.716221     -4.979934      8.080474
  C      -3.302754     -6.263942      8.822800
  C      -4.193490     -6.510624     10.016058
  C      -4.156650     -5.650464     11.124815
  C      -5.003382     -5.844154     12.213489
  C      -5.914877     -6.915577     12.239135
  C      -6.811809     -7.119452     13.397448
  C      -7.102171     -8.410216     13.870127
  C      -7.935828     -8.597275     14.973037
  C      -8.503868     -7.497425     15.621482
  C      -8.234062     -6.208599     15.152053
  C      -7.396649     -6.021530     14.052258
  C      -5.944823     -7.780889     11.134811
  C      -5.103464     -7.574747     10.041225
  H       0.225983     -3.401642      2.289387
  H      -0.000324     -1.904616      1.358777
  H      -0.459316     -3.459393      0.640806
  H      -1.734572     -2.032687      3.032158
  H      -3.825335     -2.082777      1.632204
  H      -2.876857     -2.633585      0.251220
  H      -1.614793     -0.520123      0.188059
  H      -2.238902     -0.048680      1.777456
  H      -4.668649      0.521373      2.065226
  H      -6.687434      1.486523      1.021483
  H      -6.185701      2.704503     -3.259487
  H      -8.233814      3.614393     -4.312060
  H     -10.467203      3.189564     -3.286443
  H     -10.627424      1.830944     -1.201038
  H      -8.581466      0.896052     -0.163583
  H      -5.018349      0.745717     -2.880129
  H      -2.986625     -0.194200     -1.833071
  H      -8.195859     -2.706609      2.021427
  H      -6.759961     -1.789765      1.478875
  H      -7.912646     -1.064341      2.623166
  H      -5.955224     -1.718170      3.864201
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  H      -8.191437     -2.083678      4.921141
  H      -6.410185     -2.420041      6.494667
  H      -5.800602     -3.828376      5.586552
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  H      -8.940523     -7.326976      6.945101
  H      -8.512644     -8.903936      8.429968
  H      -9.392670    -10.580885     10.018504
  H     -10.345528     -9.856036     12.209305
  H     -10.428838     -7.429060     12.771403
  H      -9.606152     -5.748729     11.161302
  H      -7.813904     -4.805199     10.252984
  H      -6.917833     -3.142310      8.673741
  H      -0.979253     -4.683455      5.877735
  H      -0.967321     -4.595951      7.659746
  H      -1.354100     -6.125729      6.851984
  H      -2.987477     -3.531053      6.704025
  H      -3.584762     -4.137053      8.777634
  H      -4.793743     -5.018395      7.858589
  H      -2.256708     -6.170979      9.156812
  H      -3.341978     -7.136997      8.154899
  H      -3.440633     -4.824142     11.143059
  H      -4.940717     -5.174912     13.074099
  H      -6.650057     -9.273693     13.378096
  H      -8.134941     -9.607699     15.334883
  H      -9.118805     -7.631994     16.501821
  H      -8.679981     -5.343196     15.646059
  H      -7.202498     -5.012136     13.683124
  H      -6.663125     -8.601904     11.119093
  H      -5.160990     -8.251528      9.184209
  N      -3.584084     -1.842271      4.850108
  H      -4.231534     -1.657154      5.623481
  H      -3.736060     -1.101735      4.157202
  H      -2.636870     -1.709423      5.218626
126
Coordinates from ORCA-job /scratch/magstr/orcajob__5658506-Qzcs/orca E -6458.496009745883
  N      -2.385856     -3.956725      2.669552
  C      -2.240400     -5.133341      1.809303
  C      -2.889672     -6.324656      2.494635
  N      -4.204868     -5.914683      3.066974
  C      -5.247454     -5.743246      2.014910
  C      -6.322924     -4.789776      2.509459
  N      -5.678115     -3.652436      3.172345
  Mo     -3.881623     -3.964802      3.960795
  N      -3.606802     -5.116913      5.539135
  C      -3.820487     -6.556025      5.414249
  C      -4.652808     -6.815560      4.166279
  H      -4.375545     -6.954749      6.280311
  H      -2.859635     -7.104288      5.375364
  H      -5.702619     -6.566775      4.374538
  H      -4.603060     -7.868950      3.843653
  H      -6.919349     -4.462991      1.641646
  H      -7.023289     -5.313164      3.188070
  H      -4.752360     -5.309980      1.136008
  H      -5.664083     -6.723412      1.729309
  H      -1.179576     -5.375708      1.628797
  H      -2.692979     -4.961165      0.813114
  H      -2.262310     -6.654459      3.333575
  H      -3.020428     -7.174737      1.804408
  C      -0.427487     -2.860946      1.544525
  C      -1.828297     -2.694460      2.136294
  C      -2.812567     -2.033282      1.155417
  C      -2.482821     -0.575440      0.794897
  C      -3.672802      0.093063      0.156223
  C      -4.709210      0.607164      0.949868
  C      -5.860565      1.143948      0.378661
  C      -6.021394      1.186189     -1.018307
  C      -7.250440      1.740399     -1.628141
  C      -7.199454      2.460463     -2.835319
  C      -8.360866      2.979072     -3.408626
  C      -9.598778      2.787703     -2.788492
  C      -9.664822      2.073445     -1.588892
  C      -8.503124      1.556256     -1.014952
  C      -4.976336      0.683439     -1.812878
  C      -3.825248      0.147606     -1.235354
  C      -7.391048     -2.000725      2.389186
  C      -6.584734     -2.556681      3.567565
  C      -7.501091     -2.962209      4.740650
  C      -6.705578     -3.351788      5.990031
  C      -7.370014     -4.311242      6.943103
  C      -7.915594     -5.521710      6.487629
  C      -8.457683     -6.449952      7.372628
  C      -8.469883     -6.215645      8.760310
  C      -9.027806     -7.211804      9.700213
  C      -8.976031     -8.587478      9.408160
  C      -9.471649     -9.531830     10.307184
  C     -10.030229     -9.122012     11.521401
  C     -10.091955     -7.759750     11.824207
  C      -9.599743     -6.816860     10.922937
  C      -7.919543     -5.004771      9.215684
  C      -7.387433     -4.073407      8.324519
  C      -1.461682     -5.043873      6.811915
  C      -2.941154     -4.643258      6.767259
  C      -3.721193     -4.993427      8.060644
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  C      -4.211991     -6.513553     10.003593
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  C      -8.537919     -7.468707     15.604155
  C      -8.261831     -6.182196     15.131867
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  C      -5.951425     -7.789836     11.134040
  C      -5.107092     -7.589787     10.041612
  H       0.242320     -3.369379      2.252957
  H       0.002941     -1.875219      1.320337
  H      -0.447248     -3.434384      0.606306
  H      -1.724722     -2.015778      3.001595
  H      -3.815560     -2.057122      1.615326
  H      -2.886812     -2.631504      0.231898
  H      -1.613999     -0.529898      0.121486
  H      -2.203061     -0.032871      1.715665
  H      -4.606548      0.598555      2.039935
  H      -6.638801      1.562071      1.020293
  H      -6.234742      2.637570     -3.315179
  H      -8.297701      3.543465     -4.341015
  H     -10.507057      3.193068     -3.237815
  H     -10.628309      1.911182     -1.101588
  H      -8.568519      0.978588     -0.090213
  H      -5.078350      0.691233     -2.899832
  H      -3.033536     -0.246703     -1.877938
  H      -8.173348     -2.701211      2.063114
  H      -6.737069     -1.777010      1.534511
  H      -7.890164     -1.068206      2.688941
  H      -5.934277     -1.737856      3.920613
  H      -8.143216     -3.795541      4.417035
  H      -8.181193     -2.125404      4.964241
  H      -6.390697     -2.447467      6.535920
  H      -5.778396     -3.857685      5.636106
  H      -7.927608     -5.745304      5.417449
  H      -8.900402     -7.366519      6.978328
  H      -8.507299     -8.924428      8.481434
  H      -9.409723    -10.594531     10.064091
  H     -10.408804     -9.859715     12.231027
  H     -10.516254     -7.428881     12.773806
  H      -9.668587     -5.755766     11.169113
  H      -7.877318     -4.800985     10.286915
  H      -6.955880     -3.147045      8.713096
  H      -0.944087     -4.682919      5.911005
  H      -0.968509     -4.608649      7.693609
  H      -1.334246     -6.133642      6.867219
  H      -2.972501     -3.543412      6.696992
  H      -3.602463     -4.149888      8.759448
  H      -4.794986     -5.032195      7.820718
  H      -2.271714     -6.187057      9.146832
  H      -3.358743     -7.151916      8.147812
  H      -3.487454     -4.799764     11.108680
  H      -4.990903     -5.141414     13.037472
  H      -6.689057     -9.259034     13.368190
  H      -8.178783     -9.581391     15.322650
  H      -9.153490     -7.598223     16.484377
  H      -8.704138     -5.313619     15.623597
  H      -7.225074     -4.993988     13.660329
  H      -6.658881     -8.620258     11.126946
  H      -5.150914     -8.280702      9.195110
  N      -3.548679     -1.847941      4.849651
  H      -4.194346     -1.670384      5.626281
  H      -3.707159     -1.106514      4.159181
  H      -2.600543     -1.712520      5.214986
126
Coordinates from ORCA-job /scratch/magstr/orcajob__5658506-Qzcs/orca E -6458.496379391912
  N      -2.348371     -3.940789      2.637616
  C      -2.208178     -5.111720      1.768906
  C      -2.851314     -6.308547      2.450655
  N      -4.158757     -5.902357      3.042562
  C      -5.213919     -5.715039      2.005957
  C      -6.286542     -4.775141      2.532213
  N      -5.637590     -3.650647      3.212558
  Mo     -3.824128     -3.962972      3.953159
  N      -3.549861     -5.128534      5.520663
  C      -3.756630     -6.567458      5.380454
  C      -4.596554     -6.816030      4.135657
  H      -4.304655     -6.978233      6.245051
  H      -2.793663     -7.110728      5.329031
  H      -5.645310     -6.572713      4.354275
  H      -4.546443     -7.865728      3.801228
  H      -6.893421     -4.430772      1.678795
  H      -6.978010     -5.314735      3.207274
  H      -4.730576     -5.263477      1.129768
  H      -5.630169     -6.691446      1.707047
  H      -1.148485     -5.351732      1.578650
  H      -2.667627     -4.933405      0.777057
  H      -2.215177     -6.648388      3.278928
  H      -2.991602     -7.151679      1.753719
  C      -0.404222     -2.830835      1.502223
  C      -1.802683     -2.674411      2.102865
  C      -2.799325     -2.020988      1.130070
  C      -2.474089     -0.567533      0.748764
  C      -3.675919      0.095757      0.127639
  C      -4.687008      0.636231      0.936025
  C      -5.851468      1.163601      0.382960
  C      -6.051430      1.169912     -1.009559
  C      -7.295044      1.713221     -1.599154
  C      -7.277312      2.393082     -2.830329
  C      -8.452536      2.901448     -3.384037
  C      -9.671624      2.740231     -2.719819
  C      -9.704741      2.066205     -1.495955
  C      -8.529233      1.559135     -0.941798
  C      -5.030746      0.641949     -1.819314
  C      -3.866600      0.115446     -1.260140
  C      -7.339170     -1.974620      2.454792
  C      -6.538296     -2.556255      3.624564
  C      -7.456038     -2.976783      4.790302
  C      -6.664657     -3.371582      6.041500
  C      -7.343797     -4.327109      6.988504
  C      -7.876126     -5.541361      6.527350
  C      -8.439732     -6.464469      7.404012
  C      -8.486615     -6.221528      8.789494
  C      -9.068516     -7.211585      9.721373
  C      -9.017389     -8.588636      9.436115
  C      -9.536957     -9.526888     10.327696
  C     -10.119810     -9.109810     11.527814
  C     -10.181682     -7.746141     11.823637
  C      -9.665124     -6.809279     10.929730
  C      -7.947900     -5.007852      9.250719
  C      -7.394595     -4.081202      8.367424
  C      -1.424732     -5.067614      6.828482
  C      -2.901791     -4.661817      6.760973
  C      -3.705182     -5.012582      8.040052
  C      -3.320299     -6.296299      8.795672
  C      -4.222988     -6.523869      9.983582
  C      -4.215016     -5.635345     11.070373
  C      -5.073458     -5.814422     12.151968
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  C      -6.883260     -7.083894     13.342375
  C      -7.199608     -8.368413     13.816601
  C      -8.042841     -8.538445     14.914821
  C      -8.594098     -7.427581     15.558607
  C      -8.300410     -6.144862     15.087153
  C      -7.454935     -5.974951     13.991074
  C      -5.968473     -7.793061     11.112253
  C      -5.114726     -7.602553     10.025777
  H       0.273381     -3.333948      2.206922
  H       0.017466     -1.842232      1.274383
  H      -0.425696     -3.405187      0.564627
  H      -1.698579     -1.995636      2.967976
  H      -3.795668     -2.039350      1.604669
  H      -2.888967     -2.629764      0.214825
  H      -1.619229     -0.531415      0.057098
  H      -2.173744     -0.015900      1.657373
  H      -4.552466      0.657824      2.022298
  H      -6.608883      1.603288      1.034908
  H      -6.327178      2.547906     -3.345566
  H      -8.414773      3.434548     -4.335965
  H     -10.590719      3.137801     -3.153734
  H     -10.653481      1.927437     -0.973807
  H      -8.569892      1.012565      0.002930
  H      -5.162504      0.621805     -2.902840
  H      -3.094678     -0.299011     -1.913982
  H      -8.125788     -2.663388      2.114349
  H      -6.682875     -1.739378      1.604852
  H      -7.832905     -1.044826      2.771363
  H      -5.884407     -1.746819      3.991985
  H      -8.091418     -3.812055      4.457983
  H      -8.144310     -2.147893      5.018982
  H      -6.348104     -2.468927      6.589317
  H      -5.738094     -3.880012      5.694129
  H      -7.862637     -5.769928      5.458190
  H      -8.871771     -7.383674      7.004204
  H      -8.531091     -8.931894      8.520894
  H      -9.474939    -10.590778     10.090044
  H     -10.517373     -9.842972     12.231662
  H     -10.627069     -7.409242     12.761361
  H      -9.734809     -5.746953     11.169940
  H      -7.933191     -4.796892     10.321262
  H      -6.972541     -3.152597      8.760933
  H      -0.889586     -4.698780      5.941285
  H      -0.946808     -4.643556      7.723899
  H      -1.302034     -6.158353      6.874553
  H      -2.928462     -3.561725      6.693956
  H      -3.595127     -4.170867      8.742582
  H      -4.774864     -5.045337      7.782148
  H      -2.274822     -6.219314      9.136282
  H      -3.366208     -7.174490      8.134623
  H      -3.513682     -4.796399     11.077427
  H      -5.030902     -5.122924     12.995865
  H      -6.757160     -9.241202     13.332750
  H      -8.260125     -9.544356     15.278634
  H      -9.212327     -7.549275     16.437123
  H      -8.733172     -5.270820     15.577513
  H      -7.244584     -4.969788     13.619678
  H      -6.673776     -8.625171     11.106165
  H      -5.148841     -8.302719      9.186550
  N      -3.483999     -1.853498      4.855011
  H      -4.121152     -1.683143      5.640160
  H      -3.651970     -1.108603      4.170578
  H      -2.532066     -1.718403      5.210466
126
Coordinates from ORCA-job /scratch/magstr/orcajob__5658506-Qzcs/orca E -6458.496669191813
  N      -2.314107     -3.929041      2.607036
  C      -2.175865     -5.097784      1.735503
  C      -2.811458     -6.298291      2.418147
  N      -4.112171     -5.896394      3.026199
  C      -5.179255     -5.700593      2.004017
  C      -6.251124     -4.774784      2.555791
  N      -5.602293     -3.658992      3.249892
  Mo     -3.772055     -3.962387      3.944359
  N      -3.492170     -5.132823      5.507132
  C      -3.692170     -6.571819      5.358224
  C      -4.538448     -6.817473      4.117533
  H      -4.233498     -6.990142      6.223163
  H      -2.727235     -7.110502      5.298120
  H      -5.586963     -6.581275      4.343872
  H      -4.485088     -7.865168      3.777285
  H      -6.867602     -4.418304      1.714457
  H      -6.933990     -5.328543      3.228115
  H      -4.707194     -5.233644      1.129745
  H      -5.593154     -6.675067      1.695530
  H      -1.116425     -5.334253      1.539086
  H      -2.640347     -4.918516      0.746325
  H      -2.167458     -6.642511      3.238447
  H      -2.958451     -7.138081      1.718532
  C      -0.385200     -2.809987      1.456082
  C      -1.780355     -2.660626      2.066580
  C      -2.790421     -2.014859      1.103345
  C      -2.469924     -0.565777      0.702932
  C      -3.682105      0.094506      0.099682
  C      -4.665839      0.663034      0.921869
  C      -5.840623      1.186647      0.387968
  C      -6.079333      1.160665     -0.998021
  C      -7.334728      1.699436     -1.565986
  C      -7.348072      2.342906     -2.816454
  C      -8.534388      2.847057     -3.349304
  C      -9.734136      2.718225     -2.644537
  C      -9.736504      2.080658     -1.401132
  C      -8.549905      1.577778     -0.867980
  C      -5.085389      0.604693     -1.822092
  C      -3.910615      0.082328     -1.282360
  C      -7.299346     -1.970586      2.508988
  C      -6.502868     -2.568811      3.673406
  C      -7.422818     -3.002984      4.831393
  C      -6.637804     -3.394222      6.088296
  C      -7.329881     -4.346066      7.030028
  C      -7.845761     -5.565804      6.564594
  C      -8.428746     -6.484251      7.432992
  C      -8.510296     -6.231632      8.815018
  C      -9.112563     -7.216139      9.739891
  C      -9.055442     -8.594862      9.465097
  C      -9.596022     -9.526983     10.350155
  C     -10.206803     -9.102261     11.533212
  C     -10.275244     -7.736897     11.818419
  C      -9.737413     -6.806065     10.931031
  C      -7.985485     -5.014096      9.280919
  C      -7.414074     -4.091180      8.405296
  C      -1.384041     -5.079672      6.841901
  C      -2.859214     -4.671194      6.757044
  C      -3.680864     -5.024288      8.024447
  C      -3.308050     -6.306845      8.786271
  C      -4.219948     -6.525899      9.968254
  C      -4.219293     -5.633710     11.051542
  C      -5.089724     -5.804353     12.124419
  C      -5.992733     -6.882934     12.161603
  C      -6.920158     -7.058376     13.300086
  C      -7.259817     -8.339306     13.768103
  C      -8.112209     -8.500080     14.860118
  C      -8.649853     -7.383459     15.504867
  C      -8.334552     -6.104209     15.039064
  C      -7.480467     -5.943646     13.948739
  C      -5.982023     -7.782692     11.084268
  C      -5.116126     -7.600898     10.006608
  H       0.299291     -3.309385      2.156563
  H       0.029844     -1.819530      1.224460
  H      -0.410252     -3.385218      0.519197
  H      -1.673723     -1.979666      2.929570
  H      -3.778671     -2.028532      1.594806
  H      -2.896504     -2.633261      0.196368
  H      -1.628501     -0.538682     -0.005499
  H      -2.150454     -0.006557      1.600022
  H      -4.500345      0.710270      2.002745
  H      -6.575752      1.648568      1.049784
  H      -6.412895      2.473623     -3.364491
  H      -8.520299      3.351817     -4.317088
  H     -10.661962      3.112806     -3.062058
  H     -10.670134      1.967211     -0.846810
  H      -8.567638      1.059319      0.092977
  H      -5.246766      0.559013     -2.900709
  H      -3.159957     -0.353670     -1.946750
  H      -8.086332     -2.652531      2.155760
  H      -6.640886     -1.724363      1.663851
  H      -7.792861     -1.045009      2.837790
  H      -5.850302     -1.764208      4.053384
  H      -8.046688     -3.844466      4.492790
  H      -8.123381     -2.184291      5.059871
  H      -6.325292     -2.489888      6.635719
  H      -5.708258     -3.900691      5.751942
  H      -7.805063     -5.800472      5.497417
  H      -8.847372     -7.407779      7.029118
  H      -8.549362     -8.944511      8.563263
  H      -9.528986    -10.592312     10.120828
  H     -10.620842     -9.830937     12.232046
  H     -10.744693     -7.393693     12.741928
  H      -9.813249     -5.742232     11.161909
  H      -7.997097     -4.796582     10.350164
  H      -7.003254     -3.159315      8.802728
  H      -0.835952     -4.702900      5.966223
  H      -0.918759     -4.665482      7.748450
  H      -1.263765     -6.171053      6.878615
  H      -2.883051     -3.570877      6.693395
  H      -3.581990     -4.182993      8.729224
  H      -4.746712     -5.056641      7.751867
  H      -2.264112     -6.235538      9.132916
  H      -3.354359     -7.187871      8.128850
  H      -3.515653     -4.796879     11.062471
  H      -5.050905     -5.109705     12.965712
  H      -6.826305     -9.217703     13.286737
  H      -8.346290     -9.503697     15.219453
  H      -9.271937     -7.499095     16.380432
  H      -8.755973     -5.225294     15.530309
  H      -7.254154     -4.940313     13.582162
  H      -6.690846     -8.611590     11.072112
  H      -5.144477     -8.304931      9.170523
  N      -3.425607     -1.861269      4.849350
  H      -4.044828     -1.696567      5.649866
  H      -3.613168     -1.114701      4.171811
  H      -2.466714     -1.720796      5.183645
126
Coordinates from ORCA-job /scratch/magstr/orcajob__5658506-Qzcs/orca E -6458.496889821014
  N      -2.275026     -3.919020      2.574217
  C      -2.145582     -5.086343      1.699636
  C      -2.775039     -6.288371      2.385747
  N      -4.065927     -5.886961      3.013841
  C      -5.147589     -5.680538      2.009514
  C      -6.213098     -4.763132      2.587699
  N      -5.558053     -3.656964      3.291223
  Mo     -3.712074     -3.958533      3.936168
  N      -3.423474     -5.132778      5.494866
  C      -3.622054     -6.571441      5.338986
  C      -4.478866     -6.813972      4.105091
  H      -4.155164     -6.994793      6.206352
  H      -2.657028     -7.108400      5.268100
  H      -5.525902     -6.582833      4.342048
  H      -4.424826     -7.860014      3.760101
  H      -6.839760     -4.394952      1.759157
  H      -6.887955     -5.326458      3.260040
  H      -4.687491     -5.201395      1.135432
  H      -5.564816     -6.651359      1.694224
  H      -1.087972     -5.322840      1.493494
  H      -2.618405     -4.905188      0.714895
  H      -2.121163     -6.636907      3.196361
  H      -2.932902     -7.125132      1.685016
  C      -0.364418     -2.795318      1.397637
  C      -1.751712     -2.650037      2.026465
  C      -2.779426     -2.009813      1.078553
  C      -2.471282     -0.561604      0.666630
  C      -3.696674      0.090457      0.081827
  C      -4.658507      0.676812      0.916878
  C      -5.845884      1.190705      0.402251
  C      -6.119851      1.136887     -0.976094
  C      -7.388495      1.665607     -1.522952
  C      -7.432547      2.285428     -2.784303
  C      -8.631364      2.779539     -3.297470
  C      -9.813482      2.664035     -2.561807
  C      -9.785390      2.049970     -1.307231
  C      -8.586249      1.557249     -0.793819
  C      -5.147630      0.562942     -1.813412
  C      -3.960272      0.050230     -1.293285
  C      -7.248526     -1.951096      2.575451
  C      -6.454259     -2.569233      3.730903
  C      -7.374349     -3.014933      4.883917
  C      -6.593225     -3.408603      6.143406
  C      -7.297559     -4.356882      7.079956
  C      -7.804254     -5.578707      6.610108
  C      -8.410546     -6.490055      7.469523
  C      -8.524524     -6.228119      8.847259
  C      -9.156618     -7.202250      9.763121
  C      -9.100332     -8.583353      9.501690
  C      -9.674313     -9.504326     10.376897
  C     -10.319538     -9.065973     11.536055
  C     -10.387592     -7.698159     11.807611
  C      -9.815136     -6.778424     10.930743
  C      -8.004645     -5.010981      9.318607
  C      -7.410523     -4.094598      8.451415
  C      -1.329922     -5.095889      6.852544
  C      -2.802120     -4.680459      6.753485
  C      -3.641592     -5.036674      8.008597
  C      -3.278940     -6.317343      8.777543
  C      -4.208286     -6.532103      9.946320
  C      -4.224230     -5.637127     11.026529
  C      -5.114008     -5.801433     12.083797
  C      -6.021682     -6.875965     12.108904
  C      -6.968840     -7.042778     13.231802
  C      -7.323543     -8.319982     13.698483
  C      -8.187754     -8.472296     14.781929
  C      -8.722910     -7.350944     15.419889
  C      -8.395349     -6.075425     14.953316
  C      -7.529984     -5.923311     13.871180
  C      -5.993395     -7.779977     11.035335
  C      -5.107858     -7.604697      9.973017
  H       0.329112     -3.295899      2.088032
  H       0.046242     -1.803730      1.163675
  H      -0.400587     -3.368164      0.459782
  H      -1.636486     -1.967442      2.887047
  H      -3.757914     -2.025535      1.589122
  H      -2.900614     -2.633078      0.176923
  H      -1.642573     -0.535554     -0.056585
  H      -2.138894      0.002876      1.555333
  H      -4.465555      0.745071      1.991843
  H      -6.563390      1.666486      1.073240
  H      -6.511412      2.405942     -3.357590
  H      -8.640856      3.265966     -4.274474
  H     -10.751127      3.050839     -2.963947
  H     -10.705056      1.947077     -0.728382
  H      -8.580898      1.056737      0.176549
  H      -5.336092      0.495494     -2.886330
  H      -3.227153     -0.399952     -1.967487
  H      -8.038660     -2.623682      2.211776
  H      -6.589872     -1.695139      1.733490
  H      -7.738034     -1.028811      2.918759
  H      -5.799477     -1.772112      4.122802
  H      -7.991715     -3.858827      4.539533
  H      -8.081602     -2.203050      5.115802
  H      -6.282554     -2.504561      6.692402
  H      -5.662684     -3.913044      5.813786
  H      -7.738495     -5.819086      5.545550
  H      -8.821910     -7.414918      7.061588
  H      -8.570830     -8.944088      8.618055
  H      -9.607528    -10.571775     10.158327
  H     -10.760555     -9.786143     12.226885
  H     -10.885479     -7.344122     12.711643
  H      -9.891373     -5.712322     11.149882
  H      -8.039967     -4.788237     10.386184
  H      -7.006249     -3.161805      8.852921
  H      -0.770529     -4.715023      5.986022
  H      -0.873631     -4.690639      7.767462
  H      -1.214906     -6.187984      6.881972
  H      -2.819798     -3.579722      6.695776
  H      -3.556746     -4.194905      8.714528
  H      -4.703308     -5.072934      7.720309
  H      -2.239832     -6.246643      9.138305
  H      -3.317558     -7.200365      8.122347
  H      -3.519183     -4.801869     11.047538
  H      -5.086388     -5.104094     12.923083
  H      -6.890562     -9.202986     13.225565
  H      -8.431959     -9.473351     15.141040
  H      -9.348437     -7.460086     16.292251
  H      -8.814310     -5.192470     15.438957
  H      -7.293635     -4.922196     13.505294
  H      -6.703689     -8.607289     11.012324
  H      -5.122662     -8.312388      9.139879
  N      -3.351167     -1.870716      4.843073
  H      -3.950230     -1.708431      5.659309
  H      -3.556467     -1.121381      4.173783
  H      -2.384953     -1.727762      5.154528
126
Coordinates from ORCA-job /scratch/magstr/orcajob__5658506-Qzcs/orca E -6458.497037818212
  N      -2.259004     -3.897134      2.558293
  C      -2.142524     -5.064078      1.681280
  C      -2.767890     -6.265862      2.371957
  N      -4.047337     -5.862016      3.020971
  C      -5.144027     -5.642775      2.036200
  C      -6.199145     -4.729618      2.640243
  N      -5.533585     -3.633532      3.349760
  Mo     -3.673620     -3.939394      3.945854
  N      -3.368139     -5.118498      5.498644
  C      -3.573765     -6.555806      5.337027
  C      -4.446733     -6.792669      4.113651
  H      -4.097262     -6.981091      6.209189
  H      -2.611745     -7.096018      5.252131
  H      -5.490647     -6.562664      4.364410
  H      -4.396690     -7.837554      3.764684
  H      -6.835419     -4.350351      1.824098
  H      -6.867308     -5.298696      3.314274
  H      -4.695193     -5.154065      1.161490
  H      -5.568921     -6.608564      1.715881
  H      -1.087731     -5.303246      1.463917
  H      -2.624976     -4.880336      0.701789
  H      -2.104244     -6.618984      3.172543
  H      -2.938842     -7.099760      1.671059
  C      -0.365045     -2.773849      1.355720
  C      -1.744980     -2.629143      2.000118
  C      -2.786298     -1.995823      1.061692
  C      -2.488974     -0.548313      0.640508
  C      -3.718867      0.090861      0.050974
  C      -4.676246      0.693506      0.879238
  C      -5.866654      1.196281      0.360730
  C      -6.148174      1.114547     -1.014426
  C      -7.418989      1.632830     -1.565518
  C      -7.467323      2.231949     -2.836417
  C      -8.668021      2.716089     -3.354213
  C      -9.847882      2.611015     -2.613715
  C      -9.815483      2.017614     -1.349492
  C      -8.614409      1.534941     -0.831494
  C      -5.180610      0.523620     -1.845110
  C      -3.990349      0.022165     -1.321427
  C      -7.217526     -1.908615      2.666740
  C      -6.422443     -2.547989      3.809857
  C      -7.340397     -3.004444      4.960061
  C      -6.560179     -3.403774      6.219175
  C      -7.272956     -4.350384      7.151011
  C      -7.773976     -5.573086      6.677462
  C      -8.400537     -6.477782      7.529087
  C      -8.541705     -6.207091      8.902338
  C      -9.202954     -7.169737      9.809639
  C      -9.146981     -8.553533      9.563917
  C      -9.755088     -9.461871     10.429064
  C     -10.435412     -9.007789     11.561565
  C     -10.503374     -7.637134     11.817011
  C      -9.895415     -6.730045     10.951181
  C      -8.023458     -4.991505      9.378555
  C      -7.408319     -4.082010      8.518915
  C      -1.278018     -5.105666      6.860478
  C      -2.747901     -4.682157      6.762682
  C      -3.594433     -5.050816      8.009703
  C      -3.231184     -6.333743      8.774677
  C      -4.174499     -6.560209      9.929676
  C      -4.196809     -5.682479     11.023308
  C      -5.102680     -5.854156     12.065253
  C      -6.022288     -6.918273     12.061015
  C      -6.985605     -7.090407     13.168684
  C      -7.361931     -8.369757     13.611479
  C      -8.234505     -8.527604     14.687130
  C      -8.757063     -7.409855     15.341257
  C      -8.410926     -6.131909     14.895854
  C      -7.537760     -5.974202     13.821163
  C      -5.986823     -7.806766     10.974703
  C      -5.084307     -7.624749      9.928121
  H       0.335727     -3.275052      2.038115
  H       0.043099     -1.782184      1.118101
  H      -0.411622     -3.346332      0.418208
  H      -1.621712     -1.941798      2.855822
  H      -3.758300     -2.015197      1.584423
  H      -2.914321     -2.623313      0.164065
  H      -1.660765     -0.522252     -0.083205
  H      -2.160787      0.024527      1.525172
  H      -4.477602      0.782833      1.951345
  H      -6.580725      1.684690      1.026105
  H      -6.548214      2.344004     -3.414446
  H      -8.680788      3.186404     -4.338898
  H     -10.787023      2.989964     -3.019463
  H     -10.733229      1.923167     -0.766421
  H      -8.605817      1.050695      0.146976
  H      -5.374861      0.434628     -2.915329
  H      -3.260860     -0.441141     -1.990464
  H      -8.011817     -2.571541      2.294810
  H      -6.560812     -1.642527      1.826539
  H      -7.701842     -0.989933      3.026410
  H      -5.762848     -1.760157      4.212701
  H      -7.954976     -3.848221      4.610669
  H      -8.050383     -2.196831      5.198003
  H      -6.250536     -2.501195      6.771085
  H      -5.629054     -3.904958      5.891531
  H      -7.687032     -5.818704      5.615689
  H      -8.807103     -7.403476      7.118412
  H      -8.593740     -8.926442      8.700166
  H      -9.688362    -10.531754     10.223357
  H     -10.903865     -9.718232     12.244122
  H     -11.029487     -7.270867     12.699690
  H      -9.971512     -5.661311     11.156493
  H      -8.078182     -4.764927     10.444426
  H      -7.008173     -3.148989      8.923667
  H      -0.715735     -4.719152      5.998495
  H      -0.821427     -4.711536      7.779909
  H      -1.168340     -6.198498      6.878970
  H      -2.759348     -3.580748      6.718166
  H      -3.522134     -4.212543      8.720956
  H      -4.653659     -5.094063      7.712696
  H      -2.197159     -6.259427      9.148586
  H      -3.257513     -7.212981      8.113871
  H      -3.484465     -4.854459     11.067309
  H      -5.078831     -5.169823     12.915157
  H      -6.938106     -9.251363     13.128030
  H      -8.494325     -9.530833     15.028236
  H      -9.382492     -7.524224     16.211479
  H      -8.820020     -5.251161     15.393435
  H      -7.285944     -4.970491     13.473427
  H      -6.704137     -8.627016     10.928569
  H      -5.093539     -8.320626      9.085119
  N      -3.288356     -1.871163      4.855536
  H      -3.860605     -1.709686      5.691098
  H      -3.512615     -1.116205      4.198557
  H      -2.313114     -1.728773      5.138139
126
Coordinates from ORCA-job /scratch/magstr/orcajob__5658506-Qzcs/orca E -6458.497117448606
  N      -2.262409     -3.898405      2.560322
  C      -2.151084     -5.066070      1.683239
  C      -2.776721     -6.266593      2.376086
  N      -4.054351     -5.860944      3.027641
  C      -5.152530     -5.639992      2.044920
  C      -6.204583     -4.723357      2.649052
  N      -5.535952     -3.627018      3.355457
  Mo     -3.675438     -3.937753      3.949952
  N      -3.361687     -5.115937      5.502376
  C      -3.574076     -6.552855      5.342873
  C      -4.452068     -6.789342      4.122735
  H      -4.095875     -6.975322      6.217633
  H      -2.614420     -7.096907      5.255249
  H      -5.494781     -6.556623      4.376336
  H      -4.404938     -7.834897      3.775436
  H      -6.840949     -4.345368      1.832213
  H      -6.873343     -5.289222      3.325066
  H      -4.703608     -5.153093      1.169199
  H      -5.581260     -6.604537      1.726092
  H      -1.097427     -5.307538      1.463066
  H      -2.636321     -4.881517      0.705298
  H      -2.111701     -6.618803      3.175900
  H      -2.949846     -7.101071      1.676543
  C      -0.371785     -2.778929      1.349078
  C      -1.748722     -2.631502      1.999044
  C      -2.792377     -1.996363      1.063619
  C      -2.499160     -0.545510      0.651581
  C      -3.727720      0.090906      0.056115
  C      -4.693242      0.685734      0.880459
  C      -5.881450      1.187519      0.355924
  C      -6.151942      1.113202     -1.021709
  C      -7.420028      1.631099     -1.579267
  C      -7.459001      2.244444     -2.843625
  C      -8.657098      2.728883     -3.367240
  C      -9.843372      2.609694     -2.639191
  C      -9.820098      2.002125     -1.381496
  C      -8.621631      1.519257     -0.857593
  C      -5.176602      0.529639     -1.848495
  C      -3.988883      0.028571     -1.318651
  C      -7.220302     -1.900284      2.680737
  C      -6.423825     -2.542691      3.821031
  C      -7.341698     -3.001218      4.970826
  C      -6.561330     -3.403815      6.228813
  C      -7.272547     -4.353012      7.158813
  C      -7.773614     -5.575021      6.683824
  C      -8.401543     -6.479863      7.534146
  C      -8.545114     -6.209139      8.906930
  C      -9.212834     -7.169627      9.811598
  C      -9.155793     -8.553811      9.568785
  C      -9.773336     -9.459817     10.429874
  C     -10.463563     -9.002596     11.555143
  C     -10.531965     -7.631455     11.807839
  C      -9.914539     -6.726716     10.946210
  C      -8.025657     -4.994767      9.385035
  C      -7.408171     -4.085612      8.526782
  C      -1.265069     -5.109921      6.854100
  C      -2.734384     -4.682631      6.763924
  C      -3.575591     -5.050635      8.014717
  C      -3.201875     -6.327884      8.785314
  C      -4.150120     -6.558381      9.935275
  C      -4.173108     -5.686469     11.033550
  C      -5.084567     -5.859682     12.070543
  C      -6.009063     -6.919311     12.055685
  C      -6.977596     -7.093391     13.158370
  C      -7.358240     -8.373323     13.595196
  C      -8.233546     -8.532767     14.668449
  C      -8.754565     -7.416132     15.325609
  C      -8.404592     -6.137479     14.885174
  C      -7.528889     -5.978013     13.812898
  C      -5.972652     -7.802060     10.965143
  C      -5.064546     -7.618787      9.923728
  H       0.330216     -3.283898      2.027425
  H       0.038701     -1.788012      1.112474
  H      -0.423658     -3.349072      0.410460
  H      -1.621096     -1.943516      2.853572
  H      -3.764438     -2.021881      1.585896
  H      -2.916904     -2.618268      0.161659
  H      -1.665630     -0.511681     -0.065650
  H      -2.181338      0.024413      1.541868
  H      -4.503608      0.768718      1.954680
  H      -6.602538      1.669275      1.018614
  H      -6.534914      2.366979     -3.411452
  H      -8.662848      3.210378     -4.346539
  H     -10.780461      2.988716     -3.049505
  H     -10.742779      1.896875     -0.808208
  H      -8.619523      1.024571      0.115698
  H      -5.362754      0.446509     -2.920622
  H      -3.253163     -0.429057     -1.984725
  H      -8.013979     -2.563300      2.307933
  H      -6.564511     -1.631347      1.840759
  H      -7.705281     -0.983014      3.043131
  H      -5.762957     -1.756961      4.226184
  H      -7.957685     -3.843281      4.620091
  H      -8.049498     -2.192279      5.210302
  H      -6.254239     -2.502266      6.783710
  H      -5.629183     -3.901661      5.899548
  H      -7.684113     -5.820787      5.622319
  H      -8.808156     -7.405284      7.122960
  H      -8.595465     -8.928340      8.710212
  H      -9.706081    -10.530141     10.226849
  H     -10.939642     -9.711196     12.234271
  H     -11.065346     -7.263162     12.685327
  H      -9.990377     -5.657461     11.148802
  H      -8.082008     -4.769349     10.450981
  H      -7.008227     -3.152937      8.932417
  H      -0.707604     -4.729609      5.986254
  H      -0.800987     -4.712036      7.768075
  H      -1.158031     -6.202881      6.877539
  H      -2.742523     -3.581181      6.720543
  H      -3.508356     -4.208807      8.722083
  H      -4.634922     -5.103528      7.719805
  H      -2.171210     -6.240678      9.165145
  H      -3.215966     -7.209171      8.127021
  H      -3.456706     -4.862389     11.085309
  H      -5.061844     -5.179934     12.924140
  H      -6.936066     -9.254151     13.108867
  H      -8.497144     -9.536555     15.004869
  H      -9.380153     -7.531487     16.195521
  H      -8.813081     -5.257446     15.384469
  H      -7.273240     -4.973816     13.469503
  H      -6.692549     -8.619368     10.912853
  H      -5.072344     -8.310915      9.077640
  N      -3.281751     -1.877622      4.860411
  H      -3.847273     -1.713744      5.700188
  H      -3.507669     -1.119727      4.207241
  H      -2.304279     -1.737693      5.136676
126
Coordinates from ORCA-job /scratch/magstr/orcajob__5658506-Qzcs/orca E -6458.497165016913
  N      -2.262380     -3.907380      2.557856
  C      -2.158186     -5.077677      1.682877
  C      -2.779203     -6.275915      2.384011
  N      -4.054633     -5.869569      3.039914
  C      -5.157008     -5.655123      2.060619
  C      -6.205827     -4.732654      2.661375
  N      -5.533441     -3.629429      3.353391
  Mo     -3.672537     -3.940209      3.950266
  N      -3.345080     -5.110073      5.506022
  C      -3.559407     -6.547962      5.355808
  C      -4.445352     -6.791759      4.142536
  H      -4.075052     -6.965441      6.236688
  H      -2.600272     -7.092493      5.264686
  H      -5.486496     -6.556809      4.401254
  H      -4.400217     -7.839409      3.801385
  H      -6.845784     -4.363692      1.842986
  H      -6.871355     -5.291569      3.346180
  H      -4.711352     -5.175189      1.179403
  H      -5.588890     -6.621207      1.750824
  H      -1.106294     -5.320622      1.456176
  H      -2.650754     -4.895324      0.708212
  H      -2.109444     -6.622028      3.182594
  H      -2.953849     -7.114293      1.689570
  C      -0.378207     -2.793899      1.330672
  C      -1.749515     -2.642203      1.991331
  C      -2.797158     -2.003292      1.062136
  C      -2.506586     -0.549074      0.660114
  C      -3.735452      0.087659      0.065358
  C      -4.704629      0.673163      0.891955
  C      -5.892959      1.176077      0.368649
  C      -6.159295      1.112449     -1.010187
  C      -7.428053      1.630403     -1.566290
  C      -7.465184      2.260532     -2.822418
  C      -8.664134      2.744842     -3.344435
  C      -9.852626      2.608452     -2.622945
  C      -9.830978      1.983893     -1.373513
  C      -8.631703      1.501267     -0.851053
  C      -5.180452      0.538342     -1.839478
  C      -3.992829      0.035773     -1.310632
  C      -7.222959     -1.907494      2.684070
  C      -6.420917     -2.546206      3.822437
  C      -7.335309     -3.003714      4.975814
  C      -6.551390     -3.406596      6.231530
  C      -7.257084     -4.358532      7.163124
  C      -7.762341     -5.579604      6.690431
  C      -8.392520     -6.481096      7.542903
  C      -8.535021     -6.207215      8.915154
  C      -9.214840     -7.159424      9.819843
  C      -9.166127     -8.545157      9.583705
  C      -9.800048     -9.442246     10.442451
  C     -10.498214     -8.974087     11.558272
  C     -10.557460     -7.601418     11.804865
  C      -9.923319     -6.705642     10.945986
  C      -8.008107     -4.995278      9.391648
  C      -7.387975     -4.089877      8.531399
  C      -1.243635     -5.101477      6.848887
  C      -2.712743     -4.672228      6.763187
  C      -3.550987     -5.036591      8.017232
  C      -3.167541     -6.306808      8.795788
  C      -4.129314     -6.545549      9.932778
  C      -4.167937     -5.675670     11.032296
  C      -5.091060     -5.853946     12.058109
  C      -6.010970     -6.917208     12.029979
  C      -6.988929     -7.097103     13.123590
  C      -7.361090     -8.378804     13.561841
  C      -8.241406     -8.542161     14.630610
  C      -8.776344     -7.427971     15.280516
  C      -8.435892     -6.147772     14.836748
  C      -7.555073     -5.984086     13.769340
  C      -5.959411     -7.797614     10.938394
  C      -5.039964     -7.608889      9.907637
  H       0.327313     -3.302951      2.002414
  H       0.034789     -1.804223      1.093112
  H      -0.439416     -3.361968      0.391340
  H      -1.613581     -1.954043      2.844525
  H      -3.768071     -2.032900      1.586285
  H      -2.921371     -2.618074      0.155270
  H      -1.670743     -0.507487     -0.053987
  H      -2.194912      0.015624      1.555952
  H      -4.518980      0.746281      1.967685
  H      -6.617855      1.649603      1.033249
  H      -6.539222      2.395434     -3.384464
  H      -8.668855      3.239527     -4.317180
  H     -10.790405      2.987133     -3.032111
  H     -10.755452      1.865119     -0.805699
  H      -8.630049      0.993647      0.115638
  H      -5.364158      0.463981     -2.912735
  H      -3.254510     -0.415179     -1.978449
  H      -8.015173     -2.574664      2.315654
  H      -6.570614     -1.638018      1.841569
  H      -7.710089     -0.991023      3.045742
  H      -5.758269     -1.760359      4.224620
  H      -7.954027     -3.844711      4.627571
  H      -8.039585     -2.191953      5.215819
  H      -6.248617     -2.504516      6.787857
  H      -5.617605     -3.900130      5.899203
  H      -7.674987     -5.827397      5.629175
  H      -8.804502     -7.405014      7.133612
  H      -8.600247     -8.927440      8.732267
  H      -9.739733    -10.514031     10.244855
  H     -10.988098     -9.675663     12.234946
  H     -11.096331     -7.225205     12.675744
  H      -9.992329     -5.634784     11.142761
  H      -8.062888     -4.768662     10.457444
  H      -6.985397     -3.157445      8.935074
  H      -0.691355     -4.733786      5.972226
  H      -0.772179     -4.692020      7.753927
  H      -1.137825     -6.194152      6.886081
  H      -2.718849     -3.571060      6.715853
  H      -3.491936     -4.189748      8.719168
  H      -4.609416     -5.101601      7.722037
  H      -2.144257     -6.201670      9.190179
  H      -3.160356     -7.189010      8.138612
  H      -3.454005     -4.850054     11.094104
  H      -5.081410     -5.175825     12.913317
  H      -6.927903     -9.257248     13.080712
  H      -8.498090     -9.547094     14.969022
  H      -9.401945     -7.544154     16.149375
  H      -8.856120     -5.269618     15.329668
  H      -7.305008     -4.979036     13.424239
  H      -6.674606     -8.618736     10.878827
  H      -5.034448     -8.300091      9.060706
  N      -3.274718     -1.881530      4.853399
  H      -3.838199     -1.711043      5.693411
  H      -3.498480     -1.123746      4.199015
  H      -2.296319     -1.743540      5.127798
126
Coordinates from ORCA-job /scratch/magstr/orcajob__5658506-Qzcs/orca E -6458.497176982415
  N      -2.270775     -3.914309      2.563342
  C      -2.167734     -5.085950      1.689806
  C      -2.789924     -6.282395      2.392707
  N      -4.066651     -5.874276      3.045307
  C      -5.167178     -5.663082      2.063174
  C      -6.215864     -4.736606      2.657862
  N      -5.542984     -3.629962      3.344111
  Mo     -3.684936     -3.941860      3.951304
  N      -3.357200     -5.108353      5.509244
  C      -3.572476     -6.546666      5.363198
  C      -4.458960     -6.792658      4.150609
  H      -4.088075     -6.961612      6.245503
  H      -2.613672     -7.091965      5.273083
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  H      -4.415527     -7.841377      3.812428
  H      -6.854996     -4.371774      1.836927
  H      -6.882171     -5.291403      3.345218
  H      -4.719725     -5.188128      1.180232
  H      -5.599629     -6.630204      1.757300
  H      -1.116128     -5.330352      1.463381
  H      -2.660218     -4.904183      0.714962
  H      -2.121430     -6.626677      3.193150
  H      -2.963385     -7.122476      1.699962
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  C      -2.504889     -0.554919      0.666380
  C      -3.730974      0.085327      0.069550
  C      -4.702264      0.668708      0.895336
  C      -5.888288      1.175353      0.370143
  C      -6.150167      1.117183     -1.009914
  C      -7.416620      1.638769     -1.568262
  C      -7.449113      2.272278     -2.822923
  C      -8.645928      2.759669     -3.347212
  C      -9.836752      2.623045     -2.629481
  C      -9.819729      1.995042     -1.381613
  C      -8.622609      1.509282     -0.856850
  C      -5.169192      0.545275     -1.838324
  C      -3.983708      0.039409     -1.307550
  C      -7.231047     -1.908571      2.669943
  C      -6.430190     -2.545139      3.810400
  C      -7.346169     -2.999436      4.963588
  C      -6.564017     -3.403343      6.219824
  C      -7.270399     -4.356877      7.149221
  C      -7.775055     -5.577284      6.674299
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  C      -8.541831     -6.212044      8.899046
  C      -9.213472     -7.170495      9.803137
  C      -9.154790     -8.555263      9.563618
  C      -9.778190     -9.459221     10.422960
  C     -10.475501     -8.998777     11.542647
  C     -10.544483     -7.627034     11.792693
  C      -9.921340     -6.724364     10.932814
  C      -8.017516     -4.999616      9.377465
  C      -7.400268     -4.091130      8.518321
  C      -1.252786     -5.094888      6.847442
  C      -2.722042     -4.665766      6.763645
  C      -3.556698     -5.027061      8.021141
  C      -3.169174     -6.296076      8.800305
  C      -4.127042     -6.535130      9.940523
  C      -4.159013     -5.667714     11.042525
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  C      -6.974891     -7.090539     13.141257
  C      -7.349226     -8.373140     13.575183
  C      -8.227358     -8.538617     14.645557
  C      -8.757723     -7.425649     15.301357
  C      -8.414541     -6.144379     14.862472
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  C      -5.954526     -7.786365     10.950917
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  H       0.321202     -3.314715      2.010827
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  H      -0.443907     -3.374310      0.398937
  H      -1.618268     -1.962158      2.849590
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  H      -1.666852     -0.513222     -0.045127
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  H      -4.520012      0.737506      1.972004
  H      -6.614820      1.647405      1.034026
  H      -6.521151      2.407107     -3.381746
  H      -8.647137      3.256959     -4.318677
  H     -10.772832      3.004128     -3.040415
  H     -10.746141      1.875879     -0.816967
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  H      -5.349626      0.475509     -2.912467
  H      -3.243641     -0.409761     -1.974687
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  H      -6.577838     -1.641026      1.827490
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  H      -8.811927     -7.406371      7.115341
  H      -8.588167     -8.930747      8.709464
  H      -9.710054    -10.530134     10.223015
  H     -10.957041     -9.705654     12.219886
  H     -11.082172     -7.257141     12.667069
  H      -9.997395     -5.654475     11.132342
  H      -8.070231     -4.776172     10.444032
  H      -6.997757     -3.159311      8.923595
  H      -0.703117     -4.732844      5.966758
  H      -0.778316     -4.679585      7.748309
  H      -1.146678     -6.187295      6.891449
  H      -2.728093     -3.564858      6.712383
  H      -3.495903     -4.179309      8.721880
  H      -4.616048     -5.092765      7.729305
  H      -2.145161     -6.187555      9.191828
  H      -3.161615     -7.178851      8.143913
  H      -3.442907     -4.843859     11.103084
  H      -5.064022     -5.170959     12.929013
  H      -6.920005     -9.250551     13.088595
  H      -8.486434     -9.544320     14.980029
  H      -9.383187     -7.543585     16.170782
  H      -8.831737     -5.267202     15.359821
  H      -7.284036     -4.972795     13.451696
  H      -6.670902     -8.606402     10.893176
  H      -5.038462     -8.286175      9.068219
  N      -3.286099     -1.880328      4.851241
  H      -3.851868     -1.706276      5.689038
  H      -3.505449     -1.123170      4.194530
  H      -2.308177     -1.744570      5.128584
126
Coordinates from ORCA-job /scratch/magstr/orcajob__5658506-Qzcs/orca E -6458.497187223932
  N      -2.268833     -3.916622      2.557608
  C      -2.169555     -5.087878      1.683181
  C      -2.789471     -6.284175      2.388132
  N      -4.063930     -5.875842      3.045139
  C      -5.167856     -5.664662      2.066874
  C      -6.214195     -4.738101      2.665601
  N      -5.538525     -3.631330      3.348943
  Mo     -3.678713     -3.943088      3.949844
  N      -3.348104     -5.109114      5.507057
  C      -3.561769     -6.547798      5.361281
  C      -4.452269     -6.794190      4.151808
  H      -4.073774     -6.963607      6.245086
  H      -2.602571     -7.091736      5.267560
  H      -5.492097     -6.557002      4.413730
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  H      -6.857003     -4.373239      1.847550
  H      -6.877365     -5.293059      3.355817
  H      -4.723635     -5.189967      1.182184
  H      -5.601350     -6.631859      1.762673
  H      -1.118949     -5.332642      1.452536
  H      -2.665717     -4.905427      0.710325
  H      -2.118232     -6.628736      3.186164
  H      -2.965385     -7.124235      1.695951
  C      -0.382529     -2.808255      1.328857
  C      -1.753106     -2.652893      1.990468
  C      -2.798857     -2.010903      1.061781
  C      -2.503651     -0.557091      0.660752
  C      -3.730869      0.084277      0.067451
  C      -4.697370      0.672129      0.895757
  C      -5.884967      1.179059      0.374303
  C      -6.153358      1.116440     -1.004362
  C      -7.421644      1.637924     -1.558800
  C      -7.459333      2.265308     -2.816421
  C      -8.657895      2.752288     -3.337099
  C      -9.845328      2.621413     -2.612707
  C      -9.823166      1.999597     -1.361816
  C      -8.624298      1.514214     -0.840669
  C      -5.177038      0.540252     -1.835335
  C      -3.989904      0.034339     -1.308330
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  C      -6.423764     -2.546200      3.818343
  C      -7.338828     -3.001479      4.971581
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  C      -7.265008     -4.361650      7.154769
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  C      -8.541537     -6.217182      8.900631
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  C      -9.154105     -8.560781      9.564467
  C      -9.780053     -9.464906     10.421764
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  C     -10.554754     -7.632642     11.786724
  C      -9.928893     -6.729798     10.928957
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  C      -7.399470     -4.095894      8.523490
  C      -1.245474     -5.094722      6.848564
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  C      -3.551553     -5.024048      8.018475
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  C      -8.429113     -6.133349     14.846747
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  H       0.322778     -3.317775      2.000539
  H       0.032404     -1.819761      1.089568
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  H      -1.614316     -1.965162      2.843598
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  H      -1.667874     -0.517151     -0.053501
  H      -2.189861      0.005748      1.557126
  H      -4.509821      0.744553      1.971282
  H      -6.607541      1.654847      1.039818
  H      -6.533912      2.395717     -3.380484
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  H     -10.782771      3.002225     -3.020804
  H     -10.746968      1.884913     -0.791975
  H      -8.622142      1.008460      0.127009
  H      -5.362566      0.467176     -2.908384
  H      -3.253557     -0.418140     -1.977361
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  H      -6.571843     -1.637731      1.837422
  H      -7.711572     -0.989533      3.040641
  H      -5.758608     -1.762044      4.219570
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  H      -8.040129     -2.187031      5.211452
  H      -6.254651     -2.507133      6.786613
  H      -5.621643     -3.900496      5.896499
  H      -7.678418     -5.827425      5.616594
  H      -8.805237     -7.411853      7.116162
  H      -8.583315     -8.936014      8.712962
  H      -9.709752    -10.535891     10.222904
  H     -10.966509     -9.711496     12.213660
  H     -11.096945     -7.262858     12.658349
  H     -10.007248     -5.659827     11.127216
  H      -8.075887     -4.780971     10.447031
  H      -6.998418     -3.163996      8.930043
  H      -0.694491     -4.734774      5.967829
  H      -0.771992     -4.677534      7.749122
  H      -1.139726     -6.187039      6.895194
  H      -2.719609     -3.564237      6.708825
  H      -3.492900     -4.175005      8.717856
  H      -4.610265     -5.090772      7.724539
  H      -2.142280     -6.180602      9.195490
  H      -3.154243     -7.175109      8.146374
  H      -3.450111     -4.832850     11.098551
  H      -5.076795     -5.158406     12.919878
  H      -6.927198     -9.241723     13.083031
  H      -8.498253     -9.533121     14.970960
  H      -9.398777     -7.530446     16.155880
  H      -8.848295     -5.255606     15.341415
  H      -7.296362     -4.963572     13.436265
  H      -6.668216     -8.603942     10.888803
  H      -5.029758     -8.285502      9.068815
  N      -3.276358     -1.880416      4.848126
  H      -3.840770     -1.704863      5.686518
  H      -3.495284     -1.123526      4.190967
  H      -2.297829     -1.746172      5.124090
126
Coordinates from ORCA-job /scratch/magstr/orcajob__5658506-Qzcs/orca E -6458.497196038989
  N      -2.267979     -3.918689      2.553662
  C      -2.174584     -5.090631      1.679713
  C      -2.792212     -6.285236      2.389020
  N      -4.063664     -5.874771      3.050503
  C      -5.171423     -5.665178      2.076507
  C      -6.214272     -4.736821      2.678092
  N      -5.534675     -3.628744      3.355305
  Mo     -3.673099     -3.939920      3.950707
  N      -3.337901     -5.103440      5.508207
  C      -3.550520     -6.542525      5.364861
  C      -4.447318     -6.790420      4.160710
  H      -4.057511     -6.957801      6.251551
  H      -2.591313     -7.085615      5.266483
  H      -5.485452     -6.551875      4.428022
  H      -4.407843     -7.839829      3.823907
  H      -6.861862     -4.373329      1.863168
  H      -6.873591     -5.290376      3.373065
  H      -4.730777     -5.193237      1.188571
  H      -5.606562     -6.632994      1.776485
  H      -1.125509     -5.336746      1.443509
  H      -2.675740     -4.908191      0.709376
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  H      -2.971640     -7.126217      1.698774
  C      -0.382769     -2.814047      1.319810
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  C      -3.730293      0.079744      0.059333
  C      -4.690979      0.674814      0.889350
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  C      -6.155565      1.112547     -1.005809
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  C      -8.668678      2.737911     -3.336958
  C      -9.852062      2.617634     -2.604168
  C      -9.824400      2.006554     -1.348120
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  C      -5.184837      0.529369     -1.838531
  C      -3.996381      0.023173     -1.314822
  C      -7.217530     -1.900152      2.689127
  C      -6.417252     -2.542383      3.826939
  C      -7.332192     -2.996996      4.980268
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  C      -7.262109     -4.359583      7.161628
  C      -7.761335     -5.581314      6.684255
  C      -8.392603     -6.486571      7.532245
  C      -8.542279     -6.215532      8.904421
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  C      -9.153126     -8.559411      9.569741
  C      -9.780831     -9.463160     10.426154
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  C     -10.563521     -7.629884     11.785253
  C      -9.935713     -6.727402     10.928518
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  C      -5.954584     -7.782567     10.935572
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  H       0.323666     -3.321475      1.991939
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  H      -8.678167      3.222184     -4.314993
  H     -10.790641      2.998525     -3.009696
  H     -10.745119      1.900252     -0.771622
  H      -8.617885      1.023505      0.141635
  H      -5.376145      0.450728     -2.910190
  H      -3.264489     -0.434713     -1.985135
  H      -8.010008     -2.566264      2.318850
  H      -6.564091     -1.630089      1.847635
  H      -7.704602     -0.983769      3.051344
  H      -5.749853     -1.760048      4.227985
  H      -7.956219     -3.833839      4.631496
  H      -8.032565     -2.181821      5.220656
  H      -6.250454     -2.504977      6.797525
  H      -5.614660     -3.896534      5.908736
  H      -7.668989     -5.826521      5.622810
  H      -8.798526     -7.411965      7.119923
  H      -8.579150     -8.934804      8.720443
  H      -9.708490    -10.534393     10.229137
  H     -10.973425     -9.708763     12.214085
  H     -11.110027     -7.259678     12.654021
  H     -10.016833     -5.657103     11.124249
  H      -8.085451     -4.777231     10.451231
  H      -7.003714     -3.160193      8.936925
  H      -0.685615     -4.727668      5.972717
  H      -0.765635     -4.668130      7.753815
  H      -1.131412     -6.179016      6.901434
  H      -2.711696     -3.556763      6.709465
  H      -3.490909     -4.166932      8.718113
  H      -4.604542     -5.083807      7.722100
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  H      -3.144269     -7.166103      8.147635
  H      -3.457225     -4.828415     11.101114
  H      -5.088713     -5.160945     12.916711
  H      -6.936317     -9.248177     13.062951
  H      -8.509988     -9.546369     14.947409
  H      -9.410533     -7.547626     16.139197
  H      -8.859033     -5.270255     15.334320
  H      -7.304996     -4.971181     13.431897
  H      -6.667392     -8.605730     10.873251
  H      -5.023033     -8.280648      9.059856
  N      -3.262618     -1.874237      4.843006
  H      -3.822640     -1.694465      5.683441
  H      -3.481429     -1.118284      4.184690
  H      -2.282361     -1.743143      5.114509
126
Coordinates from ORCA-job /scratch/magstr/orcajob__5658506-Qzcs/orca E -6458.497199252388
  N      -2.268962     -3.922012      2.551104
  C      -2.177255     -5.093637      1.676693
  C      -2.794060     -6.288097      2.386899
  N      -4.064683     -5.877212      3.049733
  C      -5.173310     -5.668312      2.076487
  C      -6.215427     -4.739336      2.678357
  N      -5.534965     -3.630783      3.353924
  Mo     -3.673223     -3.942029      3.949049
  N      -3.337327     -5.104868      5.506746
  C      -3.548800     -6.544261      5.363707
  C      -4.446959     -6.792728      4.160560
  H      -4.054321     -6.960128      6.251020
  H      -2.589239     -7.086442      5.263929
  H      -5.484742     -6.554265      4.429322
  H      -4.407782     -7.842200      3.823945
  H      -6.864273     -4.376512      1.864150
  H      -6.873768     -5.292582      3.374517
  H      -4.733454     -5.197250      1.187683
  H      -5.608819     -6.636325      1.777709
  H      -1.128668     -5.339985      1.438630
  H      -2.680086     -4.910898      0.707272
  H      -2.118785     -6.632277      3.181638
  H      -2.974450     -7.129160      1.697023
  C      -0.382896     -2.818913      1.317050
  C      -1.751914     -2.660081      1.981402
  C      -2.798277     -2.016802      1.054500
  C      -2.500709     -0.564334      0.649748
  C      -3.728979      0.079375      0.061186
  C      -4.687850      0.675480      0.892547
  C      -5.877046      1.183795      0.376090
  C      -6.154792      1.114571     -1.000480
  C      -7.424817      1.637576     -1.549669
  C      -7.469132      2.255196     -2.811957
  C      -8.669264      2.743654     -3.327554
  C      -9.851843      2.624146     -2.593324
  C      -9.823171      2.012308     -1.337668
  C      -8.622717      1.525420     -0.821617
  C      -5.185860      0.530362     -1.834576
  C      -3.997190      0.022912     -1.312571
  C      -7.217485     -1.901306      2.689374
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  C      -7.332028     -2.999435      4.979968
  C      -6.551339     -3.408443      6.235726
  C      -7.262123     -4.364531      7.159679
  C      -7.759365     -5.586604      6.681276
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  C      -8.541317     -6.222995      8.900374
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  C      -9.148201     -8.568267      9.563632
  C      -9.774752     -9.473854     10.418941
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  C     -10.562361     -7.643042     11.778567
  C      -9.935588     -6.738717     10.923004
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  C      -7.403946     -4.098617      8.527673
  C      -1.237658     -5.086994      6.852859
  C      -2.706443     -4.657716      6.762048
  C      -3.547039     -5.014458      8.017147
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  C      -4.126282     -6.518785      9.937932
  C      -4.172988     -5.645674     11.034896
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  C      -8.786740     -7.412516     15.272943
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  H       0.323279     -3.327381      1.988659
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  H      -6.547283      2.377204     -3.383743
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  H     -10.790550      3.006215     -2.997426
  H     -10.743236      1.906692     -0.760012
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  H      -5.378734      0.451916     -2.905971
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  H      -6.563889     -1.630020      1.848401
  H      -7.705207     -0.985619      3.052471
  H      -5.749427     -1.762477      4.227960
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  H      -9.700003    -10.544810     10.221353
  H     -10.968427     -9.723027     12.205669
  H     -11.110445     -7.274527     12.647073
  H     -10.018798     -5.668725     11.119471
  H      -8.088131     -4.784650     10.448288
  H      -7.007178     -3.165492      8.935697
  H      -0.685241     -4.728928      5.972211
  H      -0.766091     -4.667035      7.753193
  H      -1.131341     -6.179126      6.902646
  H      -2.711496     -3.557077      6.706432
  H      -3.491642     -4.163895      8.715036
  H      -4.604808     -5.082736      7.720205
  H      -2.140602     -6.164697      9.202977
  H      -3.144252     -7.164238      8.150943
  H      -3.462996     -4.816560     11.096314
  H      -5.095337     -5.145564     12.911794
  H      -6.932675     -9.236502     13.073364
  H      -8.507167     -9.531012     14.957659
  H      -9.414508     -7.529628     16.140136
  H      -8.868246     -5.254278     15.326169
  H      -7.313539     -4.959009     13.423654
  H      -6.664110     -8.602119     10.880948
  H      -5.019012     -8.280562      9.067649
  N      -3.261663     -1.875068      4.839872
  H      -3.821740     -1.694276      5.680011
  H      -3.479620     -1.119627      4.180752
  H      -2.281323     -1.745030      5.111465
126
Coordinates from ORCA-job /scratch/magstr/orcajob__5658506-Qzcs/orca E -6458.497202859736
  N      -2.271321     -3.924008      2.550924
  C      -2.180888     -5.095990      1.677002
  C      -2.798032     -6.289640      2.388275
  N      -4.068043     -5.877223      3.051331
  C      -5.176755     -5.669197      2.077904
  C      -6.218323     -4.738903      2.678575
  N      -5.537271     -3.629920      3.352703
  Mo     -3.675714     -3.941537      3.949029
  N      -3.339313     -5.103068      5.507676
  C      -3.551033     -6.542578      5.365484
  C      -4.450165     -6.791661      4.163080
  H      -4.055889     -6.958095      6.253380
  H      -2.591615     -7.084894      5.265089
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  H      -4.411805     -7.841454      3.827389
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  H      -6.876727     -5.291233      3.375449
  H      -4.736749     -5.199703      1.188340
  H      -5.612789     -6.637406      1.780605
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  H      -2.122494     -6.633652      3.182839
  H      -2.979445     -7.131024      1.699086
  C      -0.383618     -2.823863      1.316466
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  C      -2.798035     -2.018835      1.053142
  C      -2.499755     -0.566349      0.649195
  C      -3.727652      0.078178      0.060809
  C      -4.685988      0.675221      0.892061
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  C      -6.152526      1.115560     -1.001004
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  C      -8.664791      2.748819     -3.327408
  C      -9.847736      2.629719     -2.593687
  C      -9.819993      2.016633     -1.338620
  C      -8.620147      1.528181     -0.822672
  C      -5.184145      0.530322     -1.835017
  C      -3.996002      0.021721     -1.312948
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  C      -6.419037     -2.543331      3.825690
  C      -7.334489     -2.997991      4.978829
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  C      -7.760267     -5.587520      6.678534
  C      -8.389435     -6.495626      7.524959
  C      -8.540767     -6.226635      8.897287
  C      -9.213101     -7.188818      9.796944
  C      -9.143627     -8.573365      9.558902
  C      -9.767909     -9.480693     10.414038
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  C     -10.557205     -7.652353     11.775970
  C      -9.932704     -6.746280     10.920621
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  C      -7.406949     -4.100186      8.525786
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  H       0.321764     -3.332760      1.988573
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  H      -1.667017     -0.530152     -0.068886
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  H      -8.674300      3.234531     -4.304718
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  H     -10.740308      1.911374     -0.761309
  H      -8.614051      1.029138      0.148503
  H      -5.376965      0.451950     -2.906436
  H      -3.266021     -0.437659     -1.984306
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  H      -6.564958     -1.627016      1.848335
  H      -7.708090     -0.984987      3.052140
  H      -5.751186     -1.761563      4.227230
  H      -7.960012     -3.833610      4.629664
  H      -8.033823     -2.182311      5.220346
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  H      -5.615760     -3.896784      5.909211
  H      -7.666657     -5.831118      5.616833
  H      -8.792180     -7.421768      7.111277
  H      -8.568549     -8.945270      8.708798
  H      -9.691499    -10.551364     10.215564
  H     -10.959466     -9.733351     12.201694
  H     -11.105101     -7.285450     12.645289
  H     -10.017279     -5.676620     11.118174
  H      -8.089853     -4.788368     10.446011
  H      -7.011754     -3.166607      8.934301
  H      -0.687479     -4.725132      5.973155
  H      -0.768400     -4.664693      7.754245
  H      -1.132794     -6.176372      6.902400
  H      -2.714315     -3.555023      6.707294
  H      -3.492943     -4.161803      8.715764
  H      -4.606523     -5.081192      7.721694
  H      -2.141550     -6.162403      9.203822
  H      -3.145727     -7.162509      8.152903
  H      -3.465064     -4.812086     11.096380
  H      -5.096189     -5.141061     12.912711
  H      -6.927869     -9.233882     13.079876
  H      -8.501970     -9.528526     14.964318
  H      -9.413278     -7.527244     16.143880
  H      -8.869993     -5.251915     15.327418
  H      -7.315655     -4.956525     13.424699
  H      -6.662158     -8.601214     10.885849
  H      -5.018107     -8.279839      9.071887
  N      -3.261842     -1.873729      4.837185
  H      -3.820432     -1.691462      5.677963
  H      -3.479868     -1.118876      4.177478
  H      -2.280927     -1.744960      5.107191
126
Coordinates from ORCA-job /scratch/magstr/orcajob__5658506-Qzcs/orca E -6458.497206709641
  N      -2.274103     -3.926189      2.551178
  C      -2.185075     -5.099277      1.678706
  C      -2.803676     -6.291300      2.391528
  N      -4.072902     -5.875949      3.054328
  C      -5.181360     -5.668682      2.080304
  C      -6.222102     -4.736242      2.678985
  N      -5.540147     -3.627104      3.351685
  Mo     -3.678913     -3.939739      3.949398
  N      -3.342616     -5.099142      5.509899
  C      -3.555938     -6.538637      5.369180
  C      -4.455870     -6.788382      4.167427
  H      -4.060783     -6.952822      6.257680
  H      -2.597138     -7.082070      5.268826
  H      -5.492832     -6.547382      4.437228
  H      -4.418962     -7.838730      3.833362
  H      -6.870800     -4.375000      1.863979
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  H      -4.740622     -5.201421      1.189930
  H      -5.618364     -6.636997      1.784866
  H      -1.137172     -5.347711      1.440003
  H      -2.688732     -4.917614      0.709484
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  H      -2.986734     -7.133226      1.703488
  C      -0.384430     -2.830775      1.315069
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  C      -2.498236     -0.569917      0.646787
  C      -3.725645      0.075638      0.058565
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  C      -6.149442      1.115620     -1.003295
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  C      -9.842863      2.634538     -2.595427
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  C      -3.994589      0.018486     -1.315088
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  C      -7.337388     -2.993662      4.977473
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  C      -7.761668     -5.585661      6.675205
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  C      -9.137342     -8.577989      9.552725
  C      -9.758597     -9.487589     10.407658
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  C      -9.927246     -6.754279     10.918414
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  H       0.320010     -3.339977      1.987922
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  H      -5.375253      0.449479     -2.908503
  H      -3.265576     -0.442531     -1.986357
  H      -8.009774     -2.562320      2.312531
  H      -6.565189     -1.620791      1.848582
  H      -7.710688     -0.981790      3.051980
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  H      -7.668513     -5.827591      5.613091
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  H      -8.563091     -8.947900      8.701232
  H      -9.680571    -10.557841     10.207609
  H     -10.946584     -9.744907     12.197036
  H     -11.095554     -7.297829     12.644379
  H     -10.013236     -5.685088     11.117760
  H      -8.089742     -4.791990     10.443874
  H      -7.016042     -3.166356      8.933543
  H      -0.691056     -4.717762      5.975833
  H      -0.772431     -4.661086      7.757147
  H      -1.135526     -6.171304      6.901884
  H      -2.719193     -3.551009      6.710096
  H      -3.495295     -4.159008      8.718295
  H      -4.609607     -5.078486      7.724829
  H      -2.143492     -6.160298      9.204804
  H      -3.148959     -7.159828      8.154804
  H      -3.468443     -4.808211     11.098012
  H      -5.097577     -5.138863     12.915364
  H      -6.920999     -9.234394     13.087052
  H      -8.494495     -9.530968     14.971499
  H      -9.411693     -7.531043     16.148480
  H      -8.873084     -5.254893     15.330226
  H      -7.319058     -4.957588     13.427722
  H      -6.660265     -8.601908     10.890683
  H      -5.017906     -8.279003      9.075944
  N      -3.261022     -1.871346      4.833518
  H      -3.817154     -1.686720      5.675374
  H      -3.479228     -1.117283      4.173024
  H      -2.279166     -1.744521      5.100891
126
Coordinates from ORCA-job /scratch/magstr/orcajob__5658506-Qzcs/orca E -6458.497210801595
  N      -2.276774     -3.928043      2.551701
  C      -2.188682     -5.102522      1.681018
  C      -2.809092     -6.292800      2.395271
  N      -4.077752     -5.874552      3.057457
  C      -5.185759     -5.667579      2.082724
  C      -6.225729     -4.733148      2.679627
  N      -5.542903     -3.624173      3.351528
  Mo     -3.681975     -3.937960      3.949955
  N      -3.346524     -5.095297      5.512394
  C      -3.561899     -6.534690      5.373255
  C      -4.462081     -6.784941      4.171799
  H      -4.067328     -6.947146      6.262173
  H      -2.603831     -7.079569      5.273606
  H      -5.498711     -6.542112      4.441231
  H      -4.426509     -7.835823      3.839316
  H      -6.873471     -4.372151      1.863731
  H      -6.886187     -5.282315      3.377087
  H      -4.744107     -5.202194      1.191830
  H      -5.623709     -6.635879      1.788691
  H      -1.140955     -5.352447      1.443175
  H      -2.691728     -4.921810      0.711290
  H      -2.134343     -6.636617      3.190566
  H      -2.993602     -7.135304      1.708371
  C      -0.385669     -2.837065      1.313570
  C      -1.753939     -2.670363      1.977568
  C      -2.797757     -2.025280      1.048473
  C      -2.496765     -0.573777      0.643624
  C      -3.723553      0.073003      0.055447
  C      -4.679305      0.674539      0.886313
  C      -5.866962      1.186286      0.369783
  C      -6.146318      1.115590     -1.006244
  C      -7.414536      1.642822     -1.554996
  C      -7.456886      2.261419     -2.816799
  C      -8.655360      2.754372     -3.331949
  C      -9.838341      2.638426     -2.597765
  C      -9.811591      2.025421     -1.342631
  C      -8.612759      1.534107     -0.827095
  C      -5.180523      0.525726     -1.839980
  C      -3.993469      0.014574     -1.317985
  C      -7.221022     -1.890780      2.686984
  C      -6.422581     -2.536171      3.824455
  C      -7.339862     -2.989000      4.976949
  C      -6.562514     -3.398094      6.234532
  C      -7.269841     -4.360382      7.154569
  C      -7.762957     -5.582659      6.672575
  C      -8.387627     -6.495428      7.517340
  C      -8.537164     -6.231287      8.890774
  C      -9.204066     -7.198490      9.789181
  C      -9.130854     -8.582085      9.546734
  C      -9.749232     -9.494047     10.401238
  C     -10.456115     -9.043078     11.518775
  C     -10.539750     -7.672626     11.771486
  C      -9.921305     -6.761937     10.916735
  C      -8.026332     -5.015862      9.376070
  C      -7.410992     -4.099981      8.523632
  C      -1.246563     -5.073974      6.857077
  C      -2.716495     -4.647705      6.767626
  C      -3.554570     -5.006613      8.023559
  C      -3.167010     -6.271513      8.809096
  C      -4.129621     -6.511781      9.945045
  C      -4.178201     -5.637222     11.040646
  C      -5.101672     -5.819380     12.065658
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  C      -6.990563     -7.076030     13.133068
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  C      -8.237488     -8.528060     14.638542
  C      -8.781975     -7.416742     15.285525
  C      -8.448721     -6.134618     14.841435
  C      -7.565918     -5.966116     13.776330
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  C      -5.030642     -7.583360      9.923171
  H       0.318156     -3.346445      1.986921
  H       0.033410     -1.852018      1.067372
  H      -0.454334     -3.411416      0.378583
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  H      -1.664410     -0.539939     -0.075024
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  H      -6.580903      1.672216      1.037343
  H      -6.534941      2.380581     -3.389041
  H      -8.664011      3.239834     -4.309372
  H     -10.775752      3.023954     -3.001510
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  H      -5.374309      0.445799     -2.911113
  H      -3.265703     -0.448563     -1.989135
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  H      -7.712225     -0.977862      3.052261
  H      -5.753743     -1.755640      4.226872
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  H      -7.670690     -5.822577      5.609953
  H      -8.788274     -7.421401      7.101300
  H      -8.557364     -8.949960      8.693874
  H      -9.669859    -10.563834     10.199268
  H     -10.933698     -9.756225     12.192268
  H     -11.085459     -7.310030     12.643962
  H     -10.008664     -5.693239     11.118088
  H      -8.087952     -4.795901     10.442890
  H      -7.018476     -3.166222      8.934309
  H      -0.694969     -4.710849      5.978045
  H      -0.776364     -4.657276      7.759549
  H      -1.138714     -6.166199      6.901524
  H      -2.724252     -3.546852      6.712789
  H      -3.497656     -4.156052      8.721249
  H      -4.612816     -5.075424      7.728473
  H      -2.145326     -6.158196      9.205596
  H      -3.152150     -7.156736      8.156192
  H      -3.471953     -4.804764     11.099817
  H      -5.099306     -5.137522     12.918027
  H      -6.914947     -9.235897     13.092987
  H      -8.488376     -9.534472     14.977132
  H      -9.411000     -7.535954     16.151883
  H      -8.876544     -5.258937     15.332362
  H      -7.322236     -4.959682     13.430514
  H      -6.657979     -8.603495     10.894958
  H      -5.017202     -8.278482      9.079443
  N      -3.260235     -1.869279      4.830556
  H      -3.814499     -1.682299      5.673099
  H      -3.478162     -1.115887      4.169235
  H      -2.277638     -1.744253      5.095964
126
Coordinates from ORCA-job /scratch/magstr/orcajob__5658506-Qzcs/orca E -6458.497216954052
  N      -2.281874     -3.931584      2.553322
  C      -2.195476     -5.109001      1.686383
  C      -2.820259     -6.295533      2.403128
  N      -4.088073     -5.871391      3.063456
  C      -5.194700     -5.663965      2.087038
  C      -6.232968     -4.725486      2.680608
  N      -5.548156     -3.617511      3.351950
  Mo     -3.688028     -3.934353      3.951220
  N      -3.355878     -5.088049      5.517401
  C      -3.576034     -6.527086      5.381359
  C      -4.476021     -6.777747      4.179938
  H      -4.083482     -6.935722      6.270799
  H      -2.619631     -7.075325      5.283870
  H      -5.512107     -6.531053      4.447851
  H      -4.443194     -7.829606      3.850335
  H      -6.877970     -4.364002      1.862702
  H      -6.896454     -5.271527      3.377570
  H      -4.750742     -5.201953      1.195555
  H      -5.634766     -6.631905      1.795038
  H      -1.147999     -5.362325      1.451104
  H      -2.696426     -4.929995      0.715243
  H      -2.147299     -6.639532      3.199866
  H      -3.007455     -7.139112      1.718340
  C      -0.388254     -2.849245      1.311099
  C      -1.755684     -2.677065      1.975410
  C      -2.798217     -2.031657      1.044988
  C      -2.493596     -0.581794      0.637161
  C      -3.719083      0.067443      0.048911
  C      -4.671636      0.674494      0.879407
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  C      -6.140064      1.114627     -1.012265
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  C      -7.449935      2.259524     -2.823856
  C      -8.647795      2.754456     -3.338582
  C      -9.830066      2.643549     -2.602490
  C      -9.803258      2.033594     -1.345872
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  C      -5.177382      0.519349     -1.845733
  C      -3.991193      0.005991     -1.323972
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  C      -6.425273     -2.527669      3.824774
  C      -7.344143     -2.978421      4.976801
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  C      -7.273545     -4.353354      7.153301
  C      -7.765124     -5.574870      6.667747
  C      -8.385393     -6.492562      7.510486
  C      -8.532068     -6.234392      8.885355
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  C      -9.116803     -8.589442      9.534199
  C      -9.729543     -9.506451     10.387359
  C     -10.434169     -9.061900     11.508901
  C     -10.521257     -7.692629     11.766833
  C      -9.908627     -6.776941     10.913274
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  C      -7.412269     -4.098738      8.523736
  C      -1.254687     -5.064526      6.859456
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  C      -4.132400     -6.508073      9.949882
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  C      -5.029749     -7.582740      9.929771
  H       0.314636     -3.358896      1.985203
  H       0.033260     -1.865878      1.062379
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  H      -2.929957     -2.648866      0.140811
  H      -1.661865     -0.551576     -0.082349
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  H      -4.473686      0.756555      1.952360
  H      -6.569838      1.678630      1.030313
  H      -6.528548      2.374596     -3.397807
  H      -8.656433      3.237524     -4.317178
  H     -10.766964      3.030644     -3.005894
  H     -10.723017      1.934519     -0.766638
  H      -8.599929      1.043993      0.141816
  H      -5.372882      0.437025     -2.916360
  H      -3.265965     -0.461473     -1.994854
  H      -8.010007     -2.546230      2.308369
  H      -6.564461     -1.603220      1.850747
  H      -7.713136     -0.967738      3.053171
  H      -5.754783     -1.748887      4.227891
  H      -7.970665     -3.813459      4.628183
  H      -8.042276     -2.160786      5.214877
  H      -6.282721     -2.487182      6.806384
  H      -5.622680     -3.865679      5.917016
  H      -7.675215     -5.810291      5.603983
  H      -8.784827     -7.417777      7.091576
  H      -8.544622     -8.952873      8.678582
  H      -9.647508    -10.575208     10.181077
  H     -10.907300     -9.778996     12.181327
  H     -11.064736     -7.334752     12.642598
  H      -9.998856     -5.709312     11.118968
  H      -8.082520     -4.803692     10.441833
  H      -7.021310     -3.165598      8.937275
  H      -0.703858     -4.698938      5.980989
  H      -0.784254     -4.649992      7.762797
  H      -1.146289     -6.156825      6.900847
  H      -2.734687     -3.538891      6.717536
  H      -3.502665     -4.149921      8.727152
  H      -4.619738     -5.068944      7.736087
  H      -2.149260     -6.153522      9.207108
  H      -3.158445     -7.150122      8.158535
  H      -3.479680     -4.797858     11.103137
  H      -5.103656     -5.135188     12.923022
  H      -6.903486     -9.239672     13.103862
  H      -8.477043     -9.542357     14.987382
  H      -9.410133     -7.546665     16.157979
  H      -8.883790     -5.267961     15.336192
  H      -7.328775     -4.964769     13.435677
  H      -6.652809     -8.607748     10.903452
  H      -5.015158     -8.278053      9.086214
  N      -3.258218     -1.865460      4.825853
  H      -3.809627     -1.673671      5.669145
  H      -3.474526     -1.113096      4.162865
  H      -2.274435     -1.744223      5.088478
126
Coordinates from ORCA-job /scratch/magstr/orcajob__5658506-Qzcs/orca E -6458.497225628568
  N      -2.289293     -3.935994      2.556574
  C      -2.204840     -5.117111      1.694371
  C      -2.835995     -6.298635      2.413704
  N      -4.103188     -5.867107      3.070749
  C      -5.207372     -5.658085      2.091726
  C      -6.243478     -4.714489      2.681115
  N      -5.556069     -3.608505      3.353044
  Mo     -3.697255     -3.929769      3.953063
  N      -3.371231     -5.079493      5.523733
  C      -3.597754     -6.517927      5.391510
  C      -4.496624     -6.768547      4.189414
  H      -4.108606     -6.921554      6.281228
  H      -2.643544     -7.070645      5.297515
  H      -5.532197     -6.516996      4.454577
  H      -4.467181     -7.821510      3.863070
  H      -6.884067     -4.351334      1.860425
  H      -6.911482     -5.256733      3.376587
  H      -4.759894     -5.199919      1.200033
  H      -5.650244     -6.625225      1.801347
  H      -1.157598     -5.375196      1.463233
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  H      -2.166068     -6.643149      3.212787
  H      -3.026071     -7.143494      1.731324
  C      -0.392288     -2.864590      1.309891
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  C      -2.799327     -2.039506      1.042066
  C      -2.489232     -0.592160      0.629349
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  C      -4.661113      0.675075      0.869835
  C      -5.846582      1.192155      0.353336
  C      -6.130806      1.113523     -1.021219
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  C      -7.439296      2.255984     -2.835407
  C      -8.636145      2.753464     -3.350082
  C      -9.817492      2.650332     -2.611407
  C      -9.790879      2.045643     -1.352248
  C      -8.593684      1.549882     -0.837107
  C      -5.172088      0.510747     -1.853842
  C      -3.987258     -0.005513     -1.331875
  C      -7.223479     -1.865876      2.687964
  C      -6.429792     -2.516151      3.825926
  C      -7.350385     -2.964337      4.977633
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  C      -7.278110     -4.343872      7.152470
  C      -7.767843     -5.564152      6.661911
  C      -8.381926     -6.488647      7.501830
  C      -8.524144     -6.238925      8.878723
  C      -9.178317     -7.219051      9.772216
  C      -9.096392     -8.599820      9.517100
  C      -9.701257     -9.524016     10.368112
  C     -10.402748     -9.088604     11.495222
  C     -10.494696     -7.721081     11.760726
  C      -9.890121     -6.798260     10.909114
  C      -8.017949     -5.024889      9.372165
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  C      -1.267210     -5.053493      6.860666
  C      -2.738347     -4.630130      6.776856
  C      -3.570279     -4.991704      8.036191
  C      -3.178436     -6.258042      8.816899
  C      -4.136008     -6.503424      9.956353
  C      -4.189099     -5.627051     11.050361
  C      -5.108227     -5.815086     12.078332
  C      -6.009431     -6.894642     12.057782
  C      -6.985034     -7.085288     13.151996
  C      -7.337149     -8.371155     13.595090
  C      -8.219784     -8.544350     14.660481
  C      -8.777008     -7.436075     15.302117
  C      -8.455250     -6.152310     14.854584
  C      -7.571808     -5.978869     13.790608
  C      -5.943443     -7.780760     10.971533
  C      -5.027887     -7.582604      9.939133
  H       0.309413     -3.374523      1.985008
  H       0.032552     -1.883471      1.057936
  H      -0.465550     -3.443422      0.378053
  H      -1.607732     -1.989383      2.818568
  H      -3.769560     -2.051858      1.568068
  H      -2.933392     -2.659279      0.139983
  H      -1.658123     -0.567394     -0.091064
  H      -2.162066     -0.027004      1.519416
  H      -4.461045      0.761061      1.942078
  H      -6.554659      1.688283      1.019586
  H      -6.518502      2.364864     -3.411484
  H      -8.644588      3.232465     -4.330669
  H     -10.753560      3.039467     -3.014766
  H     -10.709983      1.952560     -0.770999
  H      -8.588654      1.057664      0.137521
  H      -5.369700      0.424965     -2.923795
  H      -3.265162     -0.478854     -2.002009
  H      -8.012402     -2.530305      2.307522
  H      -6.564862     -1.588948      1.852808
  H      -7.714035     -0.953135      3.054556
  H      -5.756835     -1.739798      4.229692
  H      -7.976971     -3.799402      4.629445
  H      -8.048174     -2.145557      5.212718
  H      -6.299582     -2.470088      6.812540
  H      -5.626676     -3.842734      5.923291
  H      -7.681829     -5.793168      5.596513
  H      -8.779971     -7.412705      7.079016
  H      -8.526061     -8.956654      8.657478
  H      -9.615526    -10.591256     10.155594
  H     -10.869660     -9.811312     12.165979
  H     -11.035192     -7.370011     12.641033
  H      -9.984268     -5.732180     11.121038
  H      -8.073742     -4.815087     10.441350
  H      -7.023802     -3.165351      8.942400
  H      -0.718094     -4.685982      5.981940
  H      -0.795229     -4.640818      7.764066
  H      -1.158243     -6.145846      6.899405
  H      -2.749740     -3.529349      6.722571
  H      -3.510145     -4.141922      8.734460
  H      -4.629996     -5.060744      7.746398
  H      -2.154812     -6.146420      9.208861
  H      -3.166503     -7.141350      8.161464
  H      -3.490320     -4.788187     11.106581
  H      -5.109635     -5.131334     12.929176
  H      -6.887467     -9.244333     13.119540
  H      -8.461249     -9.551908     15.002485
  H      -9.408313     -7.559516     16.166777
  H      -8.892869     -5.279041     15.341148
  H      -7.337144     -4.971288     13.441946
  H      -6.644580     -8.614337     10.916369
  H      -5.011476     -8.278597      9.096164
  N      -3.257083     -1.860757      4.821359
  H      -3.805785     -1.662898      5.664982
  H      -3.470361     -1.109370      4.156279
  H      -2.272115     -1.744353      5.081689
126
Coordinates from ORCA-job /scratch/magstr/orcajob__5658506-Qzcs/orca E -6458.497234992505
  N      -2.298618     -3.940675      2.562483
  C      -2.216386     -5.125618      1.705181
  C      -2.856177     -6.301184      2.426249
  N      -4.123306     -5.861337      3.078119
  C      -5.223555     -5.648935      2.095348
  C      -6.257212     -4.699489      2.679927
  N      -5.566774     -3.596862      3.354424
  Mo     -3.710048     -3.924064      3.955498
  N      -3.393729     -5.070675      5.530542
  C      -3.627931     -6.508168      5.402209
  C      -4.524381     -6.757667      4.198248
  H      -4.143767     -6.906131      6.291633
  H      -2.676381     -7.066305      5.312965
  H      -5.559562     -6.500605      4.459317
  H      -4.498832     -7.811651      3.874871
  H      -6.891575     -4.332969      1.855864
  H      -6.931299     -5.237739      3.372477
  H      -4.771096     -5.194549      1.204227
  H      -5.669888     -6.614597      1.805321
  H      -1.169416     -5.389869      1.479709
  H      -2.708392     -4.949579      0.728964
  H      -2.190863     -6.646857      3.228696
  H      -3.048703     -7.147230      1.746003
  C      -0.397059     -2.881533      1.312302
  C      -1.762793     -2.694441      1.976065
  C      -2.800488     -2.047857      1.041236
  C      -2.483686     -0.603683      0.622185
  C      -3.704396      0.052170      0.031107
  C      -4.649033      0.675318      0.858780
  C      -5.832668      1.195523      0.341134
  C      -6.118660      1.111605     -1.032774
  C      -7.383377      1.646864     -1.582305
  C      -7.424409      2.250746     -2.851219
  C      -8.619747      2.751005     -3.366750
  C      -9.800463      2.656990     -2.625873
  C      -9.774884      2.058710     -1.363652
  C      -8.579222      1.560172     -0.847598
  C      -5.163615      0.500643     -1.863625
  C      -3.980662     -0.018701     -1.340443
  C      -7.227218     -1.847868      2.689737
  C      -6.436472     -2.501486      3.827725
  C      -7.358660     -2.947069      4.979332
  C      -6.587592     -3.349460      6.243662
  C      -7.283533     -4.332306      7.151783
  C      -7.771474     -5.550760      6.654963
  C      -8.377789     -6.483611      7.491359
  C      -8.513814     -6.244515      8.870764
  C      -9.158503     -7.234144      9.760452
  C      -9.070444     -8.612588      9.495295
  C      -9.664980     -9.546019     10.343475
  C     -10.362024     -9.122380     11.477857
  C     -10.460004     -7.757228     11.753357
  C      -9.865854     -6.825207     10.904398
  C      -8.010344     -5.031846      9.370209
  C      -7.413084     -4.096116      8.526556
  C      -1.284702     -5.043367      6.859168
  C      -2.756277     -4.620612      6.781229
  C      -3.582890     -4.982857      8.043828
  C      -3.187199     -6.249848      8.821546
  C      -4.140533     -6.498659      9.963923
  C      -4.195797     -5.620648     11.056579
  C      -5.111413     -5.811987     12.087099
  C      -6.006443     -6.896798     12.070508
  C      -6.979500     -7.090839     13.166577
  C      -7.323283     -8.377741     13.613193
  C      -8.205667     -8.553590     14.678348
  C      -8.770820     -7.447070     15.316151
  C      -8.456729     -6.162454     14.865650
  C      -7.573388     -5.986349     13.801933
  C      -5.938056     -7.784541     10.985734
  C      -5.026161     -7.582916      9.950731
  H       0.303016     -3.391578      1.989024
  H       0.031814     -1.903128      1.056608
  H      -0.472726     -3.463501      0.382610
  H      -1.608861     -1.995861      2.817699
  H      -3.770807     -2.052813      1.567134
  H      -2.937542     -2.670891      0.141838
  H      -1.652814     -0.585549     -0.098689
  H      -2.153571     -0.036375      1.509795
  H      -4.447341      0.765884      1.930337
  H      -6.537623      1.698431      1.005579
  H      -6.503837      2.352488     -3.428938
  H      -8.627384      3.225075     -4.349740
  H     -10.735312      3.048357     -3.029912
  H     -10.693599      1.972771     -0.780691
  H      -8.574816      1.072902      0.129497
  H      -5.362855      0.410958     -2.932947
  H      -3.261370     -0.498379     -2.009094
  H      -8.018290     -2.509525      2.308878
  H      -6.567360     -1.572968      1.854883
  H      -7.714816     -0.933483      3.056222
  H      -5.760310     -1.728163      4.232024
  H      -7.985220     -3.782196      4.631539
  H      -8.056268     -2.127196      5.211123
  H      -6.320035     -2.449226      6.820142
  H      -5.631827     -3.814679      5.930712
  H      -7.691054     -5.771664      5.587500
  H      -8.774531     -7.406093      7.063852
  H      -8.502897     -8.960504      8.630164
  H      -9.574662    -10.611235     10.122854
  H     -10.820781     -9.852288     12.146449
  H     -10.996587     -7.415078     12.639522
  H      -9.964603     -5.761182     11.124474
  H      -8.061801     -4.829617     10.441088
  H      -7.025592     -3.165545      8.949032
  H      -0.738636     -4.675151      5.978817
  H      -0.809167     -4.631808      7.761249
  H      -1.175462     -6.135763      6.896319
  H      -2.769051     -3.519902      6.727048
  H      -3.520123     -4.133446      8.742281
  H      -4.643850     -5.051934      7.758581
  H      -2.162283     -6.137850      9.210043
  H      -3.176538     -7.131887      8.164436
  H      -3.501807     -4.777648     11.109780
  H      -5.114862     -5.126811     12.936787
  H      -6.867602     -9.249109     13.140059
  H      -8.441038     -9.561664     15.023120
  H      -9.403752     -7.572586     16.179805
  H      -8.900537     -5.290610     15.349174
  H      -7.344949     -4.978345     13.450385
  H      -6.634751     -8.622060     10.933707
  H      -5.008165     -8.279935      9.108639
  N      -3.257965     -1.855214      4.818673
  H      -3.804598     -1.650815      5.662064
  H      -3.466742     -1.104354      4.151531
  H      -2.272046     -1.744311      5.077862
126
Coordinates from ORCA-job /scratch/magstr/orcajob__5658506-Qzcs/orca E -6458.497242508089
  N      -2.304395     -3.942696      2.568059
  C      -2.223339     -5.129057      1.712542
  C      -2.868432     -6.301693      2.433361
  N      -4.136234     -5.857974      3.081089
  C      -5.233152     -5.642598      2.095496
  C      -6.265904     -4.690365      2.677283
  N      -5.574246     -3.590307      3.354990
  Mo     -3.719118     -3.920854      3.957308
  N      -3.410408     -5.067297      5.533781
  C      -3.648511     -6.504137      5.407057
  C      -4.542483     -6.752230      4.200949
  H      -4.167909     -6.899409      6.295741
  H      -2.698332     -7.065125      5.320965
  H      -5.577717     -6.492586      4.459016
  H      -4.518757     -7.806523      3.878384
  H      -6.895937     -4.320937      1.851219
  H      -6.943971     -5.227026      3.367128
  H      -4.777157     -5.189447      1.205513
  H      -5.681298     -6.607027      1.804077
  H      -1.176525     -5.396949      1.490486
  H      -2.711831     -4.952663      0.734652
  H      -2.206460     -6.648333      3.238158
  H      -3.061010     -7.148155      1.753565
  C      -0.399921     -2.889286      1.317758
  C      -1.765732     -2.698332      1.980305
  C      -2.801267     -2.051284      1.043618
  C      -2.480588     -0.608976      0.620697
  C      -3.699443      0.048214      0.027260
  C      -4.643332      0.675030      0.853070
  C      -5.825477      1.196741      0.333609
  C      -6.110612      1.110736     -1.040401
  C      -7.373753      1.647789     -1.591947
  C      -7.412738      2.248769     -2.862321
  C      -8.606615      2.750802     -3.379499
  C      -9.787831      2.661505     -2.638830
  C      -9.764309      2.066191     -1.375178
  C      -8.570123      1.565838     -0.857471
  C      -5.156290      0.496118     -1.869379
  C      -3.974843     -0.024808     -1.344314
  C      -7.232158     -1.838883      2.690434
  C      -6.442417     -2.493531      3.828436
  C      -7.364952     -2.938201      4.980152
  C      -6.594519     -3.338594      6.245739
  C      -7.287416     -4.326121      7.151114
  C      -7.774635     -5.543412      6.650873
  C      -8.376258     -6.480941      7.485437
  C      -8.508124     -6.247847      8.866277
  C      -9.146774     -7.243117      9.753937
  C      -9.055092     -8.620058      9.482417
  C      -9.642605     -9.559178     10.329172
  C     -10.336287     -9.142744     11.468311
  C     -10.438021     -7.779117     11.750008
  C      -9.850818     -6.841385     10.902466
  C      -8.006022     -5.035984      9.369030
  C      -7.413490     -4.095622      8.527222
  C      -1.296693     -5.040856      6.855211
  C      -2.768261     -4.617404      6.782287
  C      -3.590977     -4.979303      8.047409
  C      -3.192263     -6.246289      8.823802
  C      -4.142608     -6.496811      9.968242
  C      -4.197697     -5.618049     11.060350
  C      -5.110882     -5.810640     12.092776
  C      -6.003144     -6.897832     12.078853
  C      -6.974179     -7.093295     13.176519
  C      -7.313434     -8.380518     13.625635
  C      -8.195159     -8.557376     14.691170
  C      -8.764009     -7.451582     15.326897
  C      -8.454038     -6.166643     14.874333
  C      -7.571326     -5.989550     13.810244
  C      -5.934579     -7.786444     10.994819
  C      -5.025478     -7.583285      9.957634
  H       0.299006     -3.399059      1.995891
  H       0.031135     -1.912371      1.060018
  H      -0.476234     -3.473251      0.389357
  H      -1.610905     -1.998958      2.821113
  H      -3.771889     -2.051501      1.568983
  H      -2.940074     -2.676269      0.145824
  H      -1.649213     -0.594627     -0.099696
  H      -2.149630     -0.040122      1.507008
  H      -4.442033      0.767596      1.924535
  H      -6.529777      1.702776      0.996374
  H      -6.491520      2.346934     -3.439644
  H      -8.612706      3.222576     -4.363616
  H     -10.721532      3.054297     -3.044172
  H     -10.683493      1.984078     -0.792388
  H      -8.567147      1.080783      0.120732
  H      -5.355131      0.404838     -2.938648
  H      -3.255955     -0.507186     -2.011477
  H      -8.025809     -2.498616      2.311542
  H      -6.572285     -1.567525      1.854407
  H      -7.716435     -0.922244      3.055717
  H      -5.764727     -1.721468      4.232601
  H      -7.991020     -3.773728      4.632567
  H      -8.063115     -2.118322      5.210301
  H      -6.332931     -2.437613      6.823710
  H      -5.635683     -3.798830      5.934354
  H      -7.698070     -5.759709      5.582207
  H      -8.772505     -7.402548      7.055573
  H      -8.489828     -8.962032      8.613395
  H      -9.549413    -10.623135     10.103692
  H     -10.789523     -9.877080     12.135844
  H     -10.972032     -7.442612     12.639896
  H      -9.952114     -5.778632     11.127528
  H      -8.054905     -4.838119     10.440859
  H      -7.026636     -3.165945      8.952261
  H      -0.753675     -4.673969      5.972376
  H      -0.817335     -4.628440      7.754908
  H      -1.187545     -6.133230      6.893353
  H      -2.780822     -3.516715      6.728076
  H      -3.526499     -4.129974      8.745805
  H      -4.652770     -5.048483      7.765332
  H      -2.166683     -6.132648      9.210100
  H      -3.181599     -7.127798      8.165971
  H      -3.505585     -4.773357     11.111294
  H      -5.114526     -5.124861     12.941988
  H      -6.854933     -9.251073     13.153700
  H      -8.427357     -9.565598     15.037729
  H      -9.397898     -7.577660     16.190140
  H      -8.900746     -5.295435     15.356361
  H      -7.346358     -4.981524     13.456502
  H      -6.629301     -8.625722     10.945148
  H      -5.007528     -8.280865      9.116005
  N      -3.261905     -1.852030      4.819876
  H      -3.808747     -1.644935      5.662496
  H      -3.467659     -1.100962      4.151965
  H      -2.275979     -1.743300      5.080118
126
Coordinates from ORCA-job /scratch/magstr/orcajob__5658506-Qzcs/orca E -6458.497247733029
  N      -2.304827     -3.942246      2.571305
  C      -2.224505     -5.127836      1.714654
  C      -2.870684     -6.300721      2.434206
  N      -4.139117     -5.857181      3.080286
  C      -5.234338     -5.639817      2.093698
  C      -6.267264     -4.687585      2.675120
  N      -5.575684     -3.588875      3.355341
  Mo     -3.721143     -3.920242      3.958393
  N      -3.416178     -5.068725      5.533693
  C      -3.654515     -6.505310      5.406460
  C      -4.547156     -6.752026      4.198880
  H      -4.175196     -6.900834      6.294441
  H      -2.704486     -7.066642      5.321063
  H      -5.582592     -6.492330      4.456071
  H      -4.523642     -7.806066      3.875413
  H      -6.895823     -4.316428      1.848776
  H      -6.946577     -5.224692      3.363439
  H      -4.777038     -5.185781      1.204796
  H      -5.682895     -6.603439      1.800147
  H      -1.177868     -5.396546      1.492623
  H      -2.712518     -4.950007      0.736814
  H      -2.209746     -6.648007      3.239567
  H      -3.061913     -7.146875      1.753565
  C      -0.399922     -2.888112      1.322529
  C      -1.766178     -2.697394      1.984285
  C      -2.801144     -2.050308      1.047134
  C      -2.480395     -0.608186      0.623424
  C      -3.698971      0.048144      0.028538
  C      -4.644637      0.673590      0.853384
  C      -5.826342      1.194737      0.332536
  C      -6.109280      1.109704     -1.042029
  C      -7.371754      1.646632     -1.595135
  C      -7.409116      2.248649     -2.865088
  C      -8.602364      2.750755     -3.383591
  C      -9.784630      2.660552     -2.644684
  C      -9.762783      2.064221     -1.381480
  C      -8.569225      1.563751     -0.862487
  C      -5.153247      0.496325     -1.869967
  C      -3.972237     -0.024222     -1.343484
  C      -7.234604     -1.838177      2.690473
  C      -6.444413     -2.492056      3.828581
  C      -7.366603     -2.937048      4.980274
  C      -6.596023     -3.336679      6.245897
  C      -7.288452     -4.324722      7.150775
  C      -7.775856     -5.541689      6.650099
  C      -8.376965     -6.479694      7.484458
  C      -8.508065     -6.247287      8.865485
  C      -9.145782     -7.243416      9.752922
  C      -9.053720     -8.620043      9.479873
  C      -9.639576     -9.560264     10.326520
  C     -10.332181     -9.145118     11.466799
  C     -10.434552     -7.781819     11.749816
  C      -9.848868     -6.842919     10.902495
  C      -8.005929     -5.035603      9.368732
  C      -7.413992     -4.094806      8.527034
  C      -1.299566     -5.045008      6.851247
  C      -2.770761     -4.619878      6.781002
  C      -3.592114     -4.980898      8.047120
  C      -3.191950     -6.247327      8.823960
  C      -4.141603     -6.497900      9.968791
  C      -4.194970     -5.619697     11.061438
  C      -5.107681     -5.811822     12.094327
  C      -6.000893     -6.898260     12.080569
  C      -6.971262     -7.093393     13.178777
  C      -7.310502     -8.380426     13.628384
  C      -8.191749     -8.556974     14.694378
  C      -8.760023     -7.450995     15.330175
  C      -8.449983     -6.166109     14.877294
  C      -7.567826     -5.989379     13.812749
  C      -5.933763     -7.786497     10.996167
  C      -5.025498     -7.583569      9.958204
  H       0.298705     -3.397349      2.001396
  H       0.031146     -1.911327      1.064338
  H      -0.475692     -3.472782      0.394518
  H      -1.611990     -1.998616      2.825682
  H      -3.771988     -2.049682      1.572150
  H      -2.940290     -2.675651      0.149627
  H      -1.648348     -0.594125     -0.096224
  H      -2.150289     -0.038677      1.509631
  H      -4.444901      0.765492      1.925210
  H      -6.532085      1.699800      0.994533
  H      -6.486968      2.347657     -3.440808
  H      -8.607234      3.223267     -4.367372
  H     -10.717862      3.053398     -3.051077
  H     -10.682807      1.981570     -0.800077
  H      -8.567473      1.077807      0.115293
  H      -5.350529      0.405634     -2.939592
  H      -3.251900     -0.505547     -2.009856
  H      -8.030677     -2.496844      2.314778
  H      -6.575478     -1.570885      1.852526
  H      -7.715832     -0.919253      3.054019
  H      -5.766787     -1.719698      4.232293
  H      -7.992053     -3.773034      4.632623
  H      -8.065706     -2.117958      5.210430
  H      -6.335840     -2.435246      6.823894
  H      -5.636243     -3.795351      5.934997
  H      -7.700179     -5.757426      5.581237
  H      -8.773426     -7.401164      7.054525
  H      -8.489357     -8.960343      8.609594
  H      -9.545868    -10.624012     10.100243
  H     -10.784102     -9.880305     12.134308
  H     -10.968149     -7.446578     12.640467
  H      -9.950194     -5.780375     11.128511
  H      -8.054764     -4.838383     10.440681
  H      -7.026936     -3.165266      8.952209
  H      -0.758600     -4.680483      5.966132
  H      -0.817485     -4.630605      7.748581
  H      -1.190864     -6.137322      6.891909
  H      -2.781728     -3.519140      6.726847
  H      -3.527410     -4.131412      8.745319
  H      -4.654091     -5.050398      7.765888
  H      -2.166554     -6.131416      9.210087
  H      -3.179923     -7.129050      8.166387
  H      -3.501759     -4.775845     11.111927
  H      -5.110205     -5.126505     12.943937
  H      -6.852437     -9.251133     13.156252
  H      -8.424093     -9.565127     15.041081
  H      -9.394250     -7.576483     16.193411
  H      -8.896224     -5.294828     15.359637
  H      -7.342931     -4.981524     13.458429
  H      -6.629119     -8.625220     10.946955
  H      -5.008669     -8.280920      9.116367
  N      -3.264957     -1.851325      4.823267
  H      -3.813213     -1.645033      5.665209
  H      -3.470042     -1.099672      4.155761
  H      -2.279586     -1.741618      5.085352
126
Coordinates from ORCA-job /scratch/magstr/orcajob__5658506-Qzcs/orca E -6458.497249064543
  N      -2.304559     -3.941761      2.572136
  C      -2.225052     -5.126680      1.714529
  C      -2.871157     -6.299912      2.433651
  N      -4.139473     -5.856631      3.079861
  C      -5.234561     -5.638519      2.093494
  C      -6.267378     -4.686433      2.675338
  N      -5.575650     -3.588186      3.356185
  Mo     -3.721011     -3.919716      3.959016
  N      -3.416755     -5.069334      5.533405
  C      -3.654785     -6.505856      5.405692
  C      -4.547583     -6.751944      4.197944
  H      -4.175350     -6.901910      6.293544
  H      -2.704749     -7.067079      5.319775
  H      -5.582918     -6.492263      4.455641
  H      -4.524367     -7.805846      3.874009
  H      -6.896096     -4.314776      1.849383
  H      -6.946624     -5.223910      3.363478
  H      -4.777328     -5.183968      1.204812
  H      -5.683439     -6.601773      1.799193
  H      -1.178671     -5.395551      1.491503
  H      -2.713772     -4.948043      0.737209
  H      -2.210007     -6.647433      3.238731
  H      -3.062015     -7.145826      1.752587
  C      -0.399524     -2.886998      1.324033
  C      -1.766010     -2.696574      1.985436
  C      -2.800892     -2.049471      1.048163
  C      -2.480711     -0.607202      0.624666
  C      -3.699396      0.048377      0.029233
  C      -4.646360      0.672401      0.853666
  C      -5.827949      1.192985      0.332094
  C      -6.109560      1.108908     -1.042799
  C      -7.371805      1.645463     -1.596602
  C      -7.408297      2.249013     -2.865853
  C      -8.601335      2.750894     -3.385025
  C      -9.784343      2.658966     -2.647496
  C      -9.763393      2.061069     -1.385007
  C      -8.570034      1.560818     -0.865388
  C      -5.152282      0.496844     -1.870280
  C      -3.971363     -0.023224     -1.343102
  C      -7.235273     -1.837782      2.691566
  C      -6.444492     -2.491370      3.829481
  C      -7.366339     -2.936668      4.981299
  C      -6.595662     -3.336420      6.246757
  C      -7.287860     -4.324628      7.151481
  C      -7.775307     -5.541532      6.650757
  C      -8.376747     -6.479421      7.484998
  C      -8.508138     -6.246894      8.865961
  C      -9.146521     -7.242726      9.753365
  C      -9.055155     -8.619404      9.480192
  C      -9.641538     -9.559365     10.326752
  C     -10.334023     -9.143873     11.466976
  C     -10.435791     -7.780552     11.750035
  C      -9.849556     -6.841877     10.902868
  C      -8.005796     -5.035309      9.369357
  C      -7.413558     -4.094674      8.527716
  C      -1.299333     -5.047140      6.850054
  C      -2.770408     -4.621327      6.780534
  C      -3.591623     -4.982327      8.046697
  C      -3.190675     -6.248236      8.824072
  C      -4.140420     -6.498812      9.968729
  C      -4.192769     -5.621459     11.062085
  C      -5.105633     -5.813382     12.094852
  C      -6.000009     -6.898816     12.080379
  C      -6.970361     -7.093682     13.178520
  C      -7.310393     -8.380669     13.627628
  C      -8.191668     -8.557179     14.693619
  C      -8.759175     -7.451136     15.329956
  C      -8.448317     -6.166224     14.877606
  C      -7.566171     -5.989586     13.813073
  C      -5.933869     -7.786308     10.995312
  C      -5.025537     -7.583554      9.957382
  H       0.298846     -3.396015      2.003330
  H       0.031343     -1.910170      1.065712
  H      -0.474988     -3.471975      0.396200
  H      -1.612220     -1.998095      2.827137
  H      -3.771829     -2.049393      1.573057
  H      -2.939767     -2.674738      0.150554
  H      -1.648372     -0.592829     -0.094650
  H      -2.151187     -0.037537      1.510982
  H      -4.447710      0.763404      1.925772
  H      -6.534790      1.696815      0.993880
  H      -6.485617      2.349393     -3.440502
  H      -8.605538      3.224549     -4.368260
  H     -10.717425      3.051622     -3.054414
  H     -10.683979      1.977121     -0.804680
  H      -8.569025      1.073648      0.111795
  H      -5.348486      0.406746     -2.940164
  H      -3.250065     -0.503551     -2.009153
  H      -8.032809     -2.495740      2.317745
  H      -6.576744     -1.572736      1.852426
  H      -7.714602     -0.917653      3.054521
  H      -5.766968     -1.718769      4.232912
  H      -7.991645     -3.772791      4.633631
  H      -8.065882     -2.118107      5.212000
  H      -6.335931     -2.435030      6.825134
  H      -5.635313     -3.794176      5.936196
  H      -7.699483     -5.757332      5.581909
  H      -8.773399     -7.400790      7.055054
  H      -8.490996     -8.959682      8.609788
  H      -9.548267    -10.623183     10.100620
  H     -10.786288     -9.878862     12.134470
  H     -10.969493     -7.445204     12.640591
  H      -9.950220     -5.779273     11.128834
  H      -8.054975     -4.838128     10.441284
  H      -7.026505     -3.165086      8.952806
  H      -0.759142     -4.683258      5.964193
  H      -0.816562     -4.631912      7.746622
  H      -1.190727     -6.139416      6.891584
  H      -2.780538     -3.520520      6.726698
  H      -3.527443     -4.132707      8.744780
  H      -4.653495     -5.052514      7.765266
  H      -2.165561     -6.130922      9.210522
  H      -3.177542     -7.130271      8.166903
  H      -3.498534     -4.778457     11.112956
  H      -5.107439     -5.128626     12.944929
  H      -6.853009     -9.251522     13.155073
  H      -8.424604     -9.565371     15.039815
  H      -9.393608     -7.576454     16.193079
  H      -8.893893     -5.294940     15.360558
  H      -7.340638     -4.981718     13.459164
  H      -6.629978     -8.624352     10.945569
  H      -5.009408     -8.280433      9.115144
  N      -3.265937     -1.850698      4.824392
  H      -3.814250     -1.645253      5.666514
  H      -3.471907     -1.098970      4.157239
  H      -2.280679     -1.739878      5.086468
126
Coordinates from ORCA-job /scratch/magstr/orcajob__5658506-Qzcs/orca E -6458.497250176226
  N      -2.304638     -3.941428      2.572476
  C      -2.225848     -5.125859      1.714187
  C      -2.871740     -6.299295      2.433206
  N      -4.139756     -5.856097      3.079891
  C      -5.235101     -5.637725      2.093955
  C      -6.267752     -4.685716      2.676248
  N      -5.575896     -3.587534      3.356990
  Mo     -3.721009     -3.919028      3.959582
  N      -3.416568     -5.069301      5.533318
  C      -3.654277     -6.505812      5.405328
  C      -4.547595     -6.751632      4.197811
  H      -4.174399     -6.902248      6.293260
  H      -2.704227     -7.066887      5.318725
  H      -5.582717     -6.491797      4.456258
  H      -4.524768     -7.805487      3.873731
  H      -6.897027     -4.314082      1.850723
  H      -6.946622     -5.223397      3.364634
  H      -4.778241     -5.182927      1.205207
  H      -5.684270     -6.600790      1.799474
  H      -1.179711     -5.394757      1.490131
  H      -2.715433     -4.946738      0.737390
  H      -2.210158     -6.646822      3.237929
  H      -3.062577     -7.145081      1.751986
  C      -0.399236     -2.886368      1.325020
  C      -1.765997     -2.696079      1.985913
  C      -2.800726     -2.048994      1.048370
  C      -2.481051     -0.606513      0.625492
  C      -3.699747      0.048572      0.029564
  C      -4.648210      0.670740      0.853663
  C      -5.829612      1.190941      0.331342
  C      -6.109619      1.108384     -1.043954
  C      -7.371637      1.644594     -1.598433
  C      -7.407094      2.250242     -2.866709
  C      -8.599923      2.751866     -3.386598
  C      -9.783825      2.657587     -2.650782
  C      -9.763913      2.057542     -1.389281
  C      -8.570749      1.557569     -0.868974
  C      -5.150890      0.498095     -1.871063
  C      -3.970124     -0.021610     -1.343179
  C      -7.236287     -1.837697      2.692411
  C      -6.444717     -2.490713      3.830171
  C      -7.366102     -2.935982      4.982352
  C      -6.595265     -3.335809      6.247642
  C      -7.287007     -4.324286      7.152370
  C      -7.774669     -5.541095      6.651634
  C      -8.376394     -6.478866      7.485809
  C      -8.507868     -6.246298      8.866735
  C      -9.147049     -7.241664      9.754170
  C      -9.056819     -8.618448      9.481006
  C      -9.644093     -9.557900     10.327507
  C     -10.336326     -9.141804     11.467659
  C     -10.436967     -7.778409     11.750696
  C      -9.849856     -6.840229     10.903623
  C      -8.005007     -5.034926      9.370243
  C      -7.412534     -4.094431      8.528639
  C      -1.298990     -5.047707      6.849856
  C      -2.770137     -4.621853      6.780565
  C      -3.591403     -4.983417      8.046564
  C      -3.189455     -6.248827      8.824243
  C      -4.139194     -6.499737      9.968782
  C      -4.190416     -5.623640     11.063175
  C      -5.103397     -5.815688     12.095813
  C      -5.999048     -6.900006     12.080241
  C      -6.969432     -7.094894     13.178261
  C      -7.310480     -8.381994     13.626270
  C      -8.191874     -8.558789     14.692129
  C      -8.758527     -7.452861     15.329436
  C      -8.446616     -6.167804     14.878190
  C      -7.564345     -5.990919     13.813821
  C      -5.934081     -7.786318     10.994128
  C      -5.025655     -7.583439      9.956318
  H       0.298706     -3.395328      2.004790
  H       0.031499     -1.909477      1.066760
  H      -0.474323     -3.471502      0.397267
  H      -1.612658     -1.997686      2.827760
  H      -3.771829     -2.049872      1.572985
  H      -2.938906     -2.674039      0.150498
  H      -1.648405     -0.591706     -0.093461
  H      -2.152133     -0.036910      1.512070
  H      -4.450927      0.760312      1.926140
  H      -6.537703      1.693163      0.993029
  H      -6.483828      2.352422     -3.440106
  H      -8.603324      3.227140     -4.369053
  H     -10.716751      3.050025     -3.058256
  H     -10.685175      1.971733     -0.810300
  H      -8.570632      1.068763      0.107400
  H      -5.345718      0.409074     -2.941292
  H      -3.247731     -0.500612     -2.008990
  H      -8.035115     -2.495158      2.320486
  H      -6.578459     -1.574710      1.852071
  H      -7.713915     -0.916507      3.054872
  H      -5.767393     -1.717703      4.233098
  H      -7.991389     -3.772244      4.634922
  H      -8.065892     -2.117770      5.213531
  H      -6.335924     -2.434547      6.826487
  H      -5.634365     -3.792709      5.937345
  H      -7.698760     -5.756922      5.582794
  H      -8.773376     -7.400052      7.055786
  H      -8.492919     -8.959109      8.610599
  H      -9.551705    -10.621822     10.101504
  H     -10.789247     -9.876407     12.135128
  H     -10.970520     -7.442696     12.641202
  H      -9.949625     -5.777527     11.129488
  H      -8.054070     -4.837878     10.442189
  H      -7.025334     -3.164870      8.953659
  H      -0.759236     -4.683698      5.963786
  H      -0.816247     -4.632088      7.746244
  H      -1.190202     -6.139939      6.891543
  H      -2.779956     -3.520981      6.727144
  H      -3.528114     -4.133716      8.744620
  H      -4.653092     -5.054676      7.764757
  H      -2.164562     -6.130351      9.210902
  H      -3.175385     -7.131107      8.167405
  H      -3.495118     -4.781551     11.114795
  H      -5.104346     -5.131786     12.946585
  H      -6.853895     -9.252878     13.152993
  H      -8.425522     -9.567134     15.037392
  H      -9.393094     -7.578399     16.192419
  H      -8.891481     -5.296647     15.362026
  H      -7.337935     -4.982895     13.460897
  H      -6.631080     -8.623567     10.943410
  H      -5.010439     -8.279438      9.113335
  N      -3.267342     -1.849778      4.824480
  H      -3.815507     -1.645123      5.666898
  H      -3.474678     -1.098330      4.157444
  H      -2.282122     -1.737622      5.086128
126
Coordinates from ORCA-job /scratch/magstr/orcajob__5658506-Qzcs/orca E -6458.497251043154
  N      -2.305094     -3.941385      2.572458
  C      -2.226771     -5.125612      1.713887
  C      -2.872573     -6.299061      2.432971
  N      -4.140267     -5.855710      3.080150
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  C      -3.654012     -6.505522      5.405304
  C      -4.547846     -6.751250      4.198148
  H      -4.173703     -6.902066      6.293418
  H      -2.703974     -7.066538      5.318201
  H      -5.582768     -6.491142      4.457128
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  H      -6.898162     -4.313739      1.852075
  H      -6.946915     -5.222913      3.366019
  H      -4.779427     -5.182396      1.205711
  H      -5.685353     -6.600230      1.800252
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  H      -2.716881     -4.946278      0.737380
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  H      -3.063732     -7.144788      1.751785
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  C      -2.800733     -2.048988      1.048091
  C      -2.481173     -0.606379      0.625744
  C      -3.699733      0.048641      0.029455
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  C      -7.371136      1.644221     -1.600061
  C      -7.405812      2.251399     -2.867623
  C      -8.598501      2.752796     -3.388058
  C      -9.783057      2.656748     -2.653523
  C      -9.763913      2.055150     -1.392744
  C      -8.570884      1.555422     -0.871892
  C      -5.149400      0.499476     -1.872006
  C      -3.968796     -0.020089     -1.343625
  C      -7.237260     -1.837548      2.693092
  C      -6.445077     -2.490091      3.830747
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  C      -7.286384     -4.323720      7.153191
  C      -7.774262     -5.540392      6.652303
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  C      -9.057433     -8.617932      9.481381
  C      -9.645238     -9.557160     10.327755
  C     -10.337241     -9.140844     11.467964
  C     -10.437107     -7.777426     11.751167
  C      -9.849496     -6.839478     10.904207
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  C      -7.411570     -4.094214      8.529558
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  C      -4.188921     -5.625089     11.064079
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  C      -5.998305     -6.901005     12.080378
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  C      -7.310521     -8.383287     13.625399
  C      -8.192046     -8.560365     14.691105
  C      -8.758131     -7.454571     15.329177
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  C      -5.934128     -7.786468     10.993515
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  H       0.298318     -3.395455      2.005619
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  H      -6.482123      2.354915     -3.440096
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  H     -10.685675      1.967898     -0.814780
  H      -8.571417      1.065444      0.103895
  H      -5.343103      0.411544     -2.942527
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  H      -9.553489    -10.621110     10.101626
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  H     -10.970406     -7.441553     12.641761
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  H      -8.052762     -4.838024     10.443041
  H      -7.024170     -3.164786      8.954687
  H      -0.759324     -4.682732      5.964267
  H      -0.816614     -4.631658      7.746766
  H      -1.190004     -6.139424      6.891534
  H      -2.780261     -3.520793      6.727666
  H      -3.529182     -4.134181      8.744716
  H      -4.653207     -5.056085      7.764547
  H      -2.164065     -6.129984      9.210956
  H      -3.174441     -7.131395      8.167653
  H      -3.493007     -4.783543     11.116253
  H      -5.102231     -5.134074     12.947981
  H      -6.854477     -9.254143     13.151554
  H      -8.426225     -9.568843     15.035608
  H      -9.392770     -7.580430     16.192055
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  H      -7.335961     -4.984048     13.462585
  H      -6.631689     -8.623219     10.942098
  H      -5.011181     -8.278660      9.112176
  N      -3.268572     -1.849075      4.824123
  H      -3.816817     -1.644829      5.666588
  H      -3.476724     -1.098000      4.156930
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126
Coordinates from ORCA-job /scratch/magstr/orcajob__5658506-Qzcs/orca E -6458.497251938157
  N      -2.306004     -3.941566      2.572316
  C      -2.228140     -5.125635      1.713529
  C      -2.873889     -6.299047      2.432697
  N      -4.141209     -5.855433      3.080468
  C      -5.237331     -5.636784      2.095356
  C      -6.269442     -4.684709      2.678552
  N      -5.577266     -3.586258      3.358381
  Mo     -3.721939     -3.918143      3.960268
  N      -3.416459     -5.068783      5.533434
  C      -3.654103     -6.505296      5.405328
  C      -4.548500     -6.750939      4.198629
  H      -4.173289     -6.901871      6.293697
  H      -2.704064     -7.066240      5.317732
  H      -5.583217     -6.490507      4.458076
  H      -4.526374     -7.804809      3.874586
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  H      -5.686942     -6.599743      1.801222
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  H      -2.718659     -4.946083      0.737253
  H      -2.211759     -6.646677      3.236934
  H      -3.065622     -7.144690      1.751586
  C      -0.399514     -2.886709      1.326238
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  C      -2.800910     -2.049226      1.047640
  C      -2.481190     -0.606523      0.625843
  C      -3.699449      0.048684      0.029114
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  C      -5.831375      1.187563      0.329526
  C      -6.108421      1.108382     -1.046557
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  C      -8.570543      1.553661     -0.875386
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  C      -9.645192     -9.556953     10.327779
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  C      -9.848480     -6.839391     10.904902
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  C      -3.592402     -4.984291      8.046712
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  H       0.297594     -3.396035      2.006571
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  H      -5.339553      0.415182     -2.944203
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  H      -7.714194     -0.914955      3.055637
  H      -5.768765     -1.715687      4.233205
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  H      -5.633571     -3.789683      5.939215
  H      -7.698224     -5.754807      5.584076
  H      -8.772878     -7.398370      7.056437
  H      -8.493566     -8.958754      8.611127
  H      -9.553895    -10.620871     10.101325
  H     -10.790513     -9.875178     12.135352
  H     -10.969272     -7.441487     12.642511
  H      -9.947481     -5.776689     11.131122
  H      -8.051153     -4.838367     10.444044
  H      -7.023027     -3.164693      8.955987
  H      -0.759698     -4.681170      5.965020
  H      -0.817525     -4.630974      7.747561
  H      -1.190175     -6.138471      6.891433
  H      -2.781329     -3.520430      6.728111
  H      -3.530930     -4.134481      8.744787
  H      -4.653798     -5.057524      7.764353
  H      -2.163859     -6.129523      9.210861
  H      -3.173976     -7.131491      8.167877
  H      -3.491583     -4.784914     11.117449
  H      -5.100563     -5.135856     12.949268
  H      -6.854488     -9.255419     13.150839
  H      -8.426346     -9.570549     15.034616
  H      -9.392250     -7.582516     16.192130
  H      -8.888590     -5.300064     15.364572
  H      -7.334332     -4.985263     13.464256
  H      -6.631781     -8.623297     10.941556
  H      -5.011615     -8.278182      9.111563
  N      -3.270235     -1.848476      4.823702
  H      -3.819008     -1.644554      5.665897
  H      -3.478812     -1.097866      4.156131
  H      -2.285258     -1.734640      5.085486
126
Coordinates from ORCA-job /scratch/magstr/orcajob__5658506-Qzcs/orca E -6458.497252321290
  N      -2.307241     -3.941889      2.572144
  C      -2.229859     -5.125757      1.713082
  C      -2.875568     -6.299165      2.432246
  N      -4.142493     -5.855283      3.080699
  C      -5.239058     -5.636271      2.096070
  C      -6.270782     -4.684161      2.679867
  N      -5.578367     -3.585565      3.359218
  Mo     -3.722853     -3.918025      3.960567
  N      -3.416839     -5.068871      5.533420
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  C      -4.549477     -6.750834      4.198993
  H      -4.173185     -6.902004      6.293869
  H      -2.704476     -7.066232      5.317125
  H      -5.584023     -6.490151      4.458834
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  H      -3.068035     -7.144631      1.751137
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  C      -9.779514      2.656907     -2.660759
  C      -9.762442      2.051781     -1.401649
  C      -8.569914      1.552272     -0.879405
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  C      -7.240326     -1.837357      2.694727
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  C      -7.366809     -2.932908      4.985886
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  C      -9.643975     -9.557537     10.327522
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  H       0.296617     -3.396740      2.007724
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  H     -10.711936      3.048994     -3.069712
  H     -10.685419      1.961447     -0.826103
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  H      -5.335297      0.419856     -2.946188
  H      -3.238915     -0.489920     -2.010859
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  H      -5.769866     -1.714650      4.233403
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  H      -8.066082     -2.114303      5.217229
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  H      -5.633625     -3.788121      5.940271
  H      -7.698073     -5.753573      5.584768
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  H      -8.492554     -8.958917      8.610994
  H      -9.552782    -10.621364     10.100600
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  H      -9.946174     -5.777602     11.132245
  H      -8.049898     -4.838914     10.445122
  H      -7.022391     -3.164641      8.957490
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  H      -3.173925     -7.131668      8.168041
  H      -3.490878     -4.785506     11.117996
  H      -5.099447     -5.136671     12.950085
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  H      -8.887630     -5.300925     15.365472
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  H      -6.631304     -8.623728     10.942067
  H      -5.011600     -8.278291      9.111746
  N      -3.272059     -1.848190      4.823640
  H      -3.821761     -1.644569      5.665295
  H      -3.480601     -1.097972      4.155628
  H      -2.287377     -1.733702      5.086223
126
Coordinates from ORCA-job /scratch/magstr/orcajob__5658506-Qzcs/orca E -6458.497253298229
  N      -2.309049     -3.942402      2.572053
  C      -2.232223     -5.126001      1.712608
  C      -2.877909     -6.299432      2.431675
  N      -4.144407     -5.855277      3.080899
  C      -5.241416     -5.635713      2.096798
  C      -6.272678     -4.683553      2.681252
  N      -5.579952     -3.584824      3.360154
  Mo     -3.724297     -3.918171      3.960896
  N      -3.417804     -5.069306      5.533363
  C      -3.655564     -6.505803      5.405057
  C      -4.551069     -6.750959      4.199273
  H      -4.173683     -6.902509      6.293972
  H      -2.705503     -7.066564      5.316406
  H      -5.585477     -6.490119      4.459469
  H      -4.529463     -7.804726      3.874848
  H      -6.903794     -4.312430      1.856836
  H      -6.950215     -5.221154      3.371014
  H      -4.785579     -5.180768      1.207618
  H      -5.691519     -6.598495      1.802833
  H      -1.186517     -5.395017      1.486758
  H      -2.723266     -4.945664      0.736736
  H      -2.215406     -6.647856      3.235253
  H      -3.071242     -7.144618      1.750472
  C      -0.400977     -2.887643      1.328577
  C      -1.769138     -2.697241      1.986519
  C      -2.801904     -2.050015      1.046835
  C      -2.481318     -0.607188      0.626007
  C      -3.698606      0.048745      0.028002
  C      -4.653219      0.662217      0.851565
  C      -5.833221      1.183113      0.326773
  C      -6.105651      1.109727     -1.050589
  C      -7.366467      1.646102     -1.607866
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  C      -8.589018      2.760862     -3.395297
  C      -9.776251      2.658752     -2.665965
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  C      -8.568855      1.551303     -0.884861
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  C      -3.961428     -0.012017     -1.346591
  C      -7.242540     -1.837222      2.695819
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  C      -7.285720     -4.321481      7.156447
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  C      -9.640945     -9.559199     10.327067
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  C      -9.845086     -6.842264     10.906465
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  C      -7.409890     -4.093617      8.533199
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  C      -2.773060     -4.621351      6.781256
  C      -3.594516     -4.985345      8.046621
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  H      -9.549372    -10.622864     10.099532
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  H     -10.964646     -7.446110     12.644214
  H      -9.944592     -5.779815     11.133699
  H      -8.049072     -4.839690     10.446290
  H      -7.022600     -3.164521      8.959150
  H      -0.761278     -4.679082      5.965833
  H      -0.819790     -4.630846      7.748426
  H      -1.191629     -6.137470      6.890424
  H      -2.784457     -3.520478      6.728335
  H      -3.534994     -4.135265      8.744542
  H      -4.655698     -5.060417      7.763915
  H      -2.164135     -6.129114      9.210293
  H      -3.174324     -7.131974      8.168280
  H      -3.491065     -4.785174     11.117846
  H      -5.098947     -5.136396     12.950495
  H      -6.852133     -9.256519     13.153256
  H      -8.424141     -9.571564     15.036987
  H      -9.390555     -7.583774     16.194045
  H      -8.887057     -5.301042     15.366183
  H      -7.332627     -4.986355     13.466111
  H      -6.630079     -8.624669     10.944025
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  N      -3.274336     -1.848206      4.824065
  H      -3.825332     -1.644918      5.664948
  H      -3.482455     -1.098278      4.155606
  H      -2.290063     -1.733158      5.087907
126
Coordinates from ORCA-job /scratch/magstr/orcajob__5658506-Qzcs/orca E -6458.497254213268
  N      -2.311480     -3.943108      2.572030
  C      -2.235268     -5.126387      1.712116
  C      -2.880874     -6.299886      2.431057
  N      -4.146913     -5.855508      3.081151
  C      -5.244382     -5.635316      2.097643
  C      -6.275154     -4.683105      2.682764
  N      -5.582057     -3.584224      3.361219
  Mo     -3.726273     -3.918654      3.961258
  N      -3.419274     -5.070078      5.533318
  C      -3.657085     -6.506566      5.404914
  C      -4.553158     -6.751399      4.199562
  H      -4.174658     -6.903389      6.294104
  H      -2.707022     -7.067239      5.315668
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  H      -4.788716     -5.180266      1.208424
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  H      -3.075113     -7.144718      1.749669
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  C      -2.802938     -2.050621      1.046441
  C      -2.481684     -0.607769      0.626037
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  C      -9.758591      2.051583     -1.416392
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  C      -3.957755     -0.007764     -1.348275
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  C      -7.369589     -2.930882      4.989193
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  C      -9.049939     -8.621014      9.481040
  C      -9.635949     -9.562238     10.326459
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  C     -10.428253     -7.785710     11.753545
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  H     -10.683618      1.957311     -0.844765
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  H      -5.322665      0.434638     -2.952290
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  H      -5.773615     -1.712713      4.234193
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  H      -8.068129     -2.111526      5.220105
  H      -6.340073     -2.428552      6.833986
  H      -5.635363     -3.784437      5.942936
  H      -7.697665     -5.751643      5.586371
  H      -8.768541     -7.398535      7.057502
  H      -8.486578     -8.960508      8.609808
  H      -9.543384    -10.625673     10.098238
  H     -10.779302     -9.884607     12.134574
  H     -10.960740     -7.451639     12.645296
  H      -9.942943     -5.783617     11.135369
  H      -8.049082     -4.840833     10.447487
  H      -7.024126     -3.164391      8.960903
  H      -0.762657     -4.679112      5.965593
  H      -0.820977     -4.631704      7.748199
  H      -1.193006     -6.137832      6.889521
  H      -2.786261     -3.521053      6.728146
  H      -3.536904     -4.135758      8.744311
  H      -4.656926     -5.061649      7.763844
  H      -2.164650     -6.129203      9.209961
  H      -3.175198     -7.132442      8.168655
  H      -3.492197     -4.783719     11.116894
  H      -5.099133     -5.134721     12.950407
  H      -6.848971     -9.256063     13.157330
  H      -8.420932     -9.570580     15.041373
  H      -9.389180     -7.582608     16.196333
  H      -8.887070     -5.300061     15.366543
  H      -7.332896     -4.986021     13.466207
  H      -6.628049     -8.626009     10.947617
  H      -5.009931     -8.280761      9.115598
  N      -3.276996     -1.848614      4.825016
  H      -3.829382     -1.645718      5.665079
  H      -3.484502     -1.098803      4.156237
  H      -2.293171     -1.733084      5.090303
126
Coordinates from ORCA-job /scratch/magstr/orcajob__5658506-Qzcs/orca E -6458.497255945224
  N      -2.314994     -3.944032      2.572254
  C      -2.239499     -5.127002      1.711844
  C      -2.885051     -6.300544      2.430684
  N      -4.150572     -5.855890      3.081717
  C      -5.248503     -5.635017      2.098855
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  N      -5.585129     -3.583616      3.362529
  Mo     -3.729238     -3.919390      3.961813
  N      -3.421678     -5.071043      5.533495
  C      -3.659666     -6.507503      5.405085
  C      -4.556355     -6.751991      4.200148
  H      -4.176762     -6.904388      6.294542
  H      -2.709694     -7.068230      5.315216
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  H      -4.535042     -7.805558      3.875001
  H      -6.910621     -4.311604      1.860754
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  H      -5.699268     -6.597461      1.804746
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  H      -2.731033     -4.945556      0.736459
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  H      -3.080232     -7.144966      1.749048
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  H      -6.455773      2.387473     -3.441731
  H      -8.569082      3.265918     -4.380847
  H     -10.695047      3.063791     -3.093994
  H     -10.681918      1.956585     -0.859865
  H      -8.573370      1.049941      0.067528
  H      -5.313331      0.445856     -2.957206
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  H      -9.533702    -10.630261     10.096204
  H     -10.769296     -9.892843     12.134172
  H     -10.954507     -7.460495     12.646825
  H      -9.940537     -5.789695     11.137567
  H      -8.049622     -4.842671     10.448799
  H      -7.027168     -3.164177      8.962939
  H      -0.764770     -4.680194      5.964808
  H      -0.822269     -4.633406      7.747430
  H      -1.195155     -6.139028      6.888399
  H      -2.788190     -3.522002      6.727978
  H      -3.538448     -4.136264      8.744312
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  H      -2.165568     -6.129615      9.209695
  H      -3.176886     -7.133052      8.169321
  H      -3.494431     -4.781097     11.115315
  H      -5.099936     -5.131722     12.950171
  H      -6.843754     -9.255047     13.164130
  H      -8.415496     -9.568869     15.048759
  H      -9.387166     -7.580600     16.200114
  H      -8.887657     -5.298454     15.367080
  H      -7.334006     -4.985300     13.466213
  H      -6.625076     -8.627940     10.953345
  H      -5.008289     -8.283204      9.119827
  N      -3.280302     -1.849365      4.826667
  H      -3.833953     -1.646915      5.666011
  H      -3.487133     -1.099437      4.157804
  H      -2.296898     -1.733455      5.093368
126
Coordinates from ORCA-job /scratch/magstr/orcajob__5658506-Qzcs/orca E -6458.497258261377
  N      -2.320631     -3.945544      2.572779
  C      -2.245969     -5.128315      1.711974
  C      -2.891424     -6.301819      2.430937
  N      -4.156321     -5.856789      3.083003
  C      -5.254775     -5.635409      2.100863
  C      -6.284371     -4.682732      2.687035
  N      -5.590151     -3.583351      3.364121
  Mo     -3.734134     -3.920645      3.962660
  N      -3.425787     -5.072200      5.534168
  C      -3.664105     -6.508632      5.406063
  C      -4.561509     -6.752960      4.201570
  H      -4.180802     -6.905392      6.295836
  H      -2.714339     -7.069610      5.315587
  H      -5.595643     -6.492454      4.463136
  H      -4.540349     -7.806476      3.876215
  H      -6.916783     -4.311955      1.863486
  H      -6.960761     -5.219821      3.378293
  H      -4.799598     -5.180415      1.211337
  H      -5.706036     -6.597647      1.806801
  H      -1.200658     -5.397791      1.484688
  H      -2.737895     -4.946406      0.736902
  H      -2.228045     -6.652477      3.232774
  H      -3.087562     -7.145867      1.749096
  C      -0.408342     -2.891646      1.335857
  C      -1.778895     -2.700745      1.988876
  C      -2.807572     -2.053114      1.045236
  C      -2.484054     -0.610479      0.625472
  C      -3.698087      0.047629      0.023240
  C      -4.663475      0.646054      0.845483
  C      -5.839288      1.171261      0.315984
  C      -6.096778      1.117390     -1.065290
  C      -7.352818      1.659129     -1.628198
  C      -7.372119      2.289213     -2.884900
  C      -8.559311      2.795850     -3.412773
  C      -9.753555      2.682428     -2.696668
  C      -9.749747      2.058131     -1.446860
  C      -8.562266      1.553029     -0.918533
  C      -5.121738      0.530249     -1.889916
  C      -3.946272      0.005734     -1.354640
  C      -7.254269     -1.837101      2.699852
  C      -6.458593     -2.486278      3.837041
  C      -7.377073     -2.928258      4.993093
  C      -6.604117     -3.324981      6.258275
  C      -7.290174     -4.319646      7.160950
  C      -7.772244     -5.537503      6.657482
  C      -8.367785     -6.480769      7.489887
  C      -8.498473     -6.252895      8.871722
  C      -9.130658     -7.254562      9.757031
  C      -9.034625     -8.629810      9.478464
  C      -9.614472     -9.575316     10.323392
  C     -10.305017     -9.166977     11.467367
  C     -10.411514     -7.805132     11.755740
  C      -9.831882     -6.860936     10.910162
  C      -8.001511     -5.040199      9.377773
  C      -7.415107     -4.094233      8.537971
  C      -1.307719     -5.048767      6.848755
  C      -2.779146     -4.624120      6.781239
  C      -3.599312     -4.987109      8.047534
  C      -3.193216     -6.250368      8.826425
  C      -4.139181     -6.500897      9.974265
  C      -4.190687     -5.621281     11.065846
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  C      -5.021434     -7.587982      9.967713
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  H      -6.440832      2.406491     -3.442206
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  H     -10.679094      1.957203     -0.883417
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  H      -5.299351      0.462991     -2.964708
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  H      -5.781119     -1.711101      4.235384
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  H      -8.471770     -8.965061      8.605270
  H      -9.517424    -10.637861     10.092839
  H     -10.752075     -9.906302     12.133606
  H     -10.943594     -7.475019     12.649226
  H      -9.936374     -5.799669     11.140627
  H      -8.050302     -4.845927     10.450246
  H      -7.032344     -3.163916      8.965363
  H      -0.768350     -4.682654      5.963317
  H      -0.824125     -4.635881      7.745954
  H      -1.198748     -6.141166      6.887294
  H      -2.790649     -3.523290      6.727874
  H      -3.539751     -4.136448      8.744757
  H      -4.660786     -5.062264      7.765756
  H      -2.167254     -6.130093      9.209678
  H      -3.179986     -7.133577      8.170734
  H      -3.498571     -4.776306     11.113021
  H      -5.101762     -5.126456     12.950034
  H      -6.834612     -9.253148     13.175829
  H      -8.405811     -9.566268     15.061404
  H      -9.384023     -7.577722     16.206584
  H      -8.889599     -5.296254     15.368080
  H      -7.336764     -4.984083     13.466364
  H      -6.620399     -8.630757     10.962779
  H      -5.005828     -8.286657      9.126946
  N      -3.285238     -1.850621      4.828964
  H      -3.839926     -1.648656      5.667752
  H      -3.491464     -1.100362      4.160271
  H      -2.302210     -1.734329      5.096923
126
Coordinates from ORCA-job /scratch/magstr/orcajob__5658506-Qzcs/orca E -6458.497262196667
  N      -2.329128     -3.947690      2.573897
  C      -2.255369     -5.130643      1.713162
  C      -2.900821     -6.303824      2.432733
  N      -4.165035     -5.858119      3.085663
  C      -5.263986     -5.636659      2.104165
  C      -6.292892     -4.683261      2.690326
  N      -5.597834     -3.583436      3.366129
  Mo     -3.741694     -3.922199      3.964123
  N      -3.432470     -5.073019      5.535969
  C      -3.671510     -6.509398      5.408699
  C      -4.569672     -6.753910      4.204656
  H      -4.188070     -6.905599      6.298826
  H      -2.722162     -7.071016      5.317845
  H      -5.603650     -6.493437      4.466846
  H      -4.548830     -7.807515      3.879564
  H      -6.925814     -4.313049      1.866946
  H      -6.968864     -5.219652      3.382535
  H      -4.809205     -5.182213      1.214137
  H      -5.715915     -6.598728      1.810544
  H      -1.210298     -5.400569      1.485335
  H      -2.747798     -4.948670      0.738383
  H      -2.236972     -6.654972      3.233958
  H      -3.097785     -7.147741      1.750953
  C      -0.414188     -2.895583      1.339812
  C      -1.785920     -2.703498      1.990114
  C      -2.812304     -2.055681      1.044189
  C      -2.486643     -0.613502      0.624495
  C      -3.698343      0.046290      0.019442
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  C      -5.842756      1.164974      0.307584
  C      -6.090787      1.123190     -1.075903
  C      -7.343152      1.669420     -1.642477
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  C      -8.537958      2.821674     -3.425015
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  C      -9.741317      2.066712     -1.473558
  C      -8.557329      1.557028     -0.941858
  C      -5.109746      0.543905     -1.898915
  C      -3.937298      0.015898     -1.360323
  C      -7.261482     -1.837125      2.700646
  C      -6.465765     -2.485410      3.838217
  C      -7.384297     -2.925637      4.994966
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  C      -7.294266     -4.318053      7.162559
  C      -7.772875     -5.536709      6.657760
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  C      -8.494165     -6.257992      8.871683
  C      -9.121048     -7.263670      9.756331
  C      -9.020325     -8.637989      9.474710
  C      -9.593987     -9.587467     10.319396
  C     -10.282996     -9.184109     11.466073
  C     -10.394317     -7.823279     11.757322
  C      -9.820897     -6.875071     10.912009
  C      -8.001237     -5.044149      9.378997
  C      -7.418945     -4.094943      8.539939
  C      -1.312581     -5.051451      6.847721
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  C      -3.602437     -4.986680      8.049620
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  C      -5.019611     -7.589572      9.976053
  H       0.277803     -3.405873      2.024711
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  H      -0.482593     -3.480133      0.411114
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  H      -3.787494     -2.054228      1.561059
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  H      -1.648425     -0.599145     -0.087887
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  H      -4.498219      0.693175      1.919497
  H      -6.569010      1.642537      0.967855
  H      -6.419244      2.432656     -3.443714
  H      -8.522381      3.324264     -4.393678
  H     -10.662716      3.101924     -3.134233
  H     -10.674382      1.960882     -0.917192
  H      -8.575967      1.040678      0.020058
  H      -5.280197      0.485669     -2.975399
  H      -3.196584     -0.438003     -2.023571
  H      -8.063202     -2.495044      2.335714
  H      -6.607094     -1.579817      1.855860
  H      -7.736158     -0.913152      3.059975
  H      -5.787524     -1.710345      4.235498
  H      -8.011858     -3.762230      4.652609
  H      -8.082260     -2.105075      5.223372
  H      -6.362328     -2.417818      6.842281
  H      -5.646340     -3.768024      5.950855
  H      -7.698818     -5.747063      5.587726
  H      -8.754427     -7.405920      7.056199
  H      -8.458424     -8.969133      8.599357
  H      -9.493133    -10.649167     10.086577
  H     -10.725097     -9.926511     12.132210
  H     -10.925338     -7.496993     12.652848
  H      -9.928931     -5.814690     11.144867
  H      -8.049802     -4.851564     10.451766
  H      -7.039194     -3.163860      8.968375
  H      -0.774209     -4.686365      5.961231
  H      -0.827089     -4.638575      7.743893
  H      -1.204491     -6.143930      6.886739
  H      -2.794037     -3.524445      6.728326
  H      -3.540725     -4.135774      8.746350
  H      -4.664385     -5.060498      7.769236
  H      -2.170017     -6.130332      9.210235
  H      -3.185045     -7.133510      8.173309
  H      -3.504850     -4.769236     11.110800
  H      -5.104536     -5.119241     12.950944
  H      -6.820542     -9.250881     13.193296
  H      -8.390748     -9.563861     15.080099
  H      -9.379433     -7.575476     16.216552
  H      -8.893219     -5.294825     15.370501
  H      -7.341399     -4.983115     13.467755
  H      -6.613819     -8.634617     10.976450
  H      -5.002760     -8.290709      9.137364
  N      -3.291956     -1.852136      4.831668
  H      -3.846881     -1.650366      5.670363
  H      -3.497794     -1.101356      4.163415
  H      -2.309060     -1.735754      5.100133
126
Coordinates from ORCA-job /scratch/magstr/orcajob__5658506-Qzcs/orca E -6458.497268204402
  N      -2.341888     -3.950547      2.576057
  C      -2.269179     -5.134312      1.716201
  C      -2.914768     -6.306702      2.437180
  N      -4.178227     -5.859825      3.090652
  C      -5.277635     -5.638919      2.109640
  C      -6.305646     -4.684089      2.695117
  N      -5.609346     -3.583813      3.369012
  Mo     -3.753123     -3.923886      3.966895
  N      -3.443041     -5.073070      5.539854
  C      -3.683472     -6.509344      5.414114
  C      -4.582488     -6.754455      4.210594
  H      -4.200238     -6.904332      6.304680
  H      -2.734840     -7.072151      5.323231
  H      -5.616148     -6.493487      4.473481
  H      -4.562374     -7.808376      3.886517
  H      -6.938979     -4.314740      1.871695
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  H      -4.823329     -5.185780      1.218693
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  H      -2.250382     -6.657740      3.238014
  H      -3.112382     -7.150935      1.755970
  C      -0.423347     -2.902046      1.344696
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  C      -2.819868     -2.059464      1.043004
  C      -2.490829     -0.618240      0.622890
  C      -3.698966      0.044176      0.013607
  C      -4.678746      0.624509      0.831976
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  C      -6.082127      1.131461     -1.091826
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  C      -8.549689      1.564859     -0.975441
  C      -5.093495      0.561163     -1.911946
  C      -3.925557      0.028094     -1.368434
  C      -7.270887     -1.836585      2.700662
  C      -6.475831     -2.483726      3.839238
  C      -7.394890     -2.920564      4.996808
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  C      -7.300416     -4.314731      7.164046
  C      -7.775271     -5.533883      6.656887
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  C      -8.487546     -6.265015      8.870464
  C      -9.106403     -7.276648      9.754065
  C      -8.999746     -8.649495      9.467263
  C      -9.564128     -9.604837     10.311532
  C     -10.249650     -9.208976     11.462928
  C     -10.367045     -7.849750     11.759148
  C      -9.803036     -6.895625     10.914208
  C      -7.999113     -5.050251      9.380057
  C      -7.423125     -4.096057      8.542292
  C      -1.320204     -5.054484      6.847081
  C      -2.790655     -4.625852      6.784360
  C      -3.607252     -4.984904      8.054043
  C      -3.202000     -6.248553      8.832758
  C      -4.143660     -6.497098      9.984557
  C      -4.198838     -5.610742     11.070537
  C      -5.103432     -5.803118     12.110486
  C      -5.985978     -6.898212     12.111313
  C      -6.949056     -7.093257     13.215574
  C      -7.269882     -8.379525     13.680677
  C      -8.149393     -8.556021     14.748102
  C      -8.734109     -7.450658     15.370053
  C      -8.440611     -6.166712     14.903441
  C      -7.559831     -5.990286     13.837644
  C      -5.916953     -7.794543     11.033685
  C      -5.017411     -7.591200      9.988247
  H       0.266320     -3.412190      2.032045
  H       0.012970     -1.926828      1.089446
  H      -0.490481     -3.488057      0.416837
  H      -1.649728     -2.007945      2.833867
  H      -3.796070     -2.056396      1.557921
  H      -2.950622     -2.684478      0.144029
  H      -1.650584     -0.605994     -0.087119
  H      -2.168390     -0.050617      1.513343
  H      -4.516714      0.669420      1.913217
  H      -6.579344      1.628189      0.953055
  H      -6.388607      2.466379     -3.448076
  H      -8.482624      3.369828     -4.407186
  H     -10.634311      3.135267     -3.169547
  H     -10.666664      1.969868     -0.965452
  H      -8.577301      1.037956     -0.019473
  H      -5.254220      0.514190     -2.990481
  H      -3.178599     -0.418397     -2.029682
  H      -8.072809     -2.494629      2.336398
  H      -6.616157     -1.581090      1.855604
  H      -7.745307     -0.911961      3.058618
  H      -5.796158     -1.709159      4.235055
  H      -8.022812     -3.757728      4.656510
  H      -8.092839     -2.099395      5.223026
  H      -6.379730     -2.408688      6.846768
  H      -5.654202     -3.753608      5.955502
  H      -7.703278     -5.740815      5.586067
  H      -8.747768     -7.408511      7.052256
  H      -8.440053     -8.974508      8.588237
  H      -9.458627    -10.665223     10.074808
  H     -10.684352     -9.955932     12.128850
  H     -10.895427     -7.529296     12.658330
  H      -9.915595     -5.836617     11.151083
  H      -8.045827     -4.861034     10.453482
  H      -7.046703     -3.164440      8.972525
  H      -0.783566     -4.691280      5.958754
  H      -0.831987     -4.640923      7.741448
  H      -1.213434     -6.147028      6.887456
  H      -2.799135     -3.525057      6.730046
  H      -3.541587     -4.133727      8.750053
  H      -4.670002     -5.056509      7.776144
  H      -2.174234     -6.129974      9.211937
  H      -3.192680     -7.132345      8.177768
  H      -3.513557     -4.759814     11.109781
  H      -5.108081     -5.110563     12.954287
  H      -6.799715     -9.249045     13.218203
  H      -8.368244     -9.563161     15.106498
  H      -9.372641     -7.575967     16.231458
  H      -8.898884     -5.296104     15.375697
  H      -7.348253     -4.983580     13.471833
  H      -6.604800     -8.640008     10.995454
  H      -4.999174     -8.295090      9.151899
  N      -3.300910     -1.853731      4.834787
  H      -3.854841     -1.651414      5.674027
  H      -3.506465     -1.102297      4.167158
  H      -2.317734     -1.738015      5.102583
126
Coordinates from ORCA-job /scratch/magstr/orcajob__5658506-Qzcs/orca E -6458.497276034923
  N      -2.359426     -3.953774      2.579822
  C      -2.288175     -5.139137      1.721903
  C      -2.934284     -6.310014      2.445247
  N      -4.196896     -5.861153      3.098772
  C      -5.296656     -5.641270      2.118004
  C      -6.323236     -4.683880      2.702036
  N      -5.624913     -3.583567      3.373490
  Mo     -3.768791     -3.924920      3.971880
  N      -3.458402     -5.071665      5.546787
  C      -3.701235     -6.507722      5.423169
  C      -4.601289     -6.753567      4.220339
  H      -4.218536     -6.900750      6.314298
  H      -2.753678     -7.072372      5.332609
  H      -5.634328     -6.490986      4.483943
  H      -4.582744     -7.808066      3.898131
  H      -6.956569     -4.315317      1.878270
  H      -6.999415     -5.216765      3.396781
  H      -4.842709     -5.190524      1.225676
  H      -5.751028     -6.603228      1.827831
  H      -1.243925     -5.411169      1.493165
  H      -2.782153     -4.959063      0.747564
  H      -2.269447     -6.660182      3.246110
  H      -3.132504     -7.155144      1.765333
  C      -0.436438     -2.911347      1.350348
  C      -1.810353     -2.712795      1.994195
  C      -2.830759     -2.064197      1.042323
  C      -2.496860     -0.624577      0.621055
  C      -3.699989      0.041338      0.005666
  C      -4.688690      0.612910      0.819556
  C      -5.850542      1.152801      0.274963
  C      -6.070647      1.141490     -1.113942
  C      -7.310550      1.702171     -1.693249
  C      -7.295362      2.370760     -2.929999
  C      -8.467015      2.896662     -3.473407
  C      -9.680164      2.764579     -2.793112
  C      -9.710793      2.101766     -1.563592
  C      -8.538831      1.577357     -1.019849
  C      -5.073545      0.579241     -1.929236
  C      -3.911724      0.039890     -1.378774
  C      -7.281663     -1.833808      2.700304
  C      -6.488321     -2.479823      3.840644
  C      -7.408539     -2.911001      4.999243
  C      -6.637466     -3.298823      6.268523
  C      -7.308333     -4.308585      7.165488
  C      -7.780613     -5.527095      6.654325
  C      -8.357142     -6.485824      7.482312
  C      -8.477989     -6.273533      8.867518
  C      -9.086051     -7.293289      9.749260
  C      -8.973517     -8.663927      9.453996
  C      -9.525634     -9.627222     10.297233
  C     -10.204449     -9.241779     11.456150
  C     -10.327832     -7.884921     11.760632
  C      -9.776393     -6.922798     10.916550
  C      -7.992978     -5.058959      9.381007
  C      -7.425660     -4.097719      8.545440
  C      -1.331316     -5.056811      6.847439
  C      -2.801189     -4.625167      6.788953
  C      -3.614291     -4.981471      8.061768
  C      -3.208997     -6.245714      8.839375
  C      -4.147042     -6.494080      9.994209
  C      -4.204255     -5.604415     11.077413
  C      -5.104903     -5.798312     12.120512
  C      -5.981136     -6.898393     12.127701
  C      -6.940365     -7.094994     13.234938
  C      -7.249809     -8.381395     13.707374
  C      -8.128076     -8.559683     14.775529
  C      -8.722880     -7.455925     15.390855
  C      -8.439805     -6.172008     14.917692
  C      -7.560001     -5.993890     13.851330
  C      -5.910342     -7.797815     11.052740
  C      -5.014991     -7.592820     10.004072
  H       0.250375     -3.421613      2.040432
  H       0.002163     -1.937494      1.093955
  H      -0.502980     -3.499233      0.423661
  H      -1.664252     -2.012065      2.835430
  H      -3.807928     -2.058943      1.555324
  H      -2.960550     -2.690274      0.143942
  H      -1.654011     -0.615897     -0.085890
  H      -2.175758     -0.056514      1.511769
  H      -4.538293      0.645859      1.902914
  H      -6.590097      1.615975      0.930738
  H      -6.349274      2.502330     -3.458461
  H      -8.431082      3.420445     -4.430220
  H     -10.596545      3.176124     -3.218888
  H     -10.655127      1.986039     -1.028636
  H      -8.577863      1.039931     -0.070164
  H      -5.222406      0.543852     -3.009910
  H      -3.157789     -0.399876     -2.036568
  H      -8.085226     -2.490887      2.337913
  H      -6.626275     -1.582857      1.854434
  H      -7.753700     -0.907051      3.055818
  H      -5.806211     -1.706387      4.234476
  H      -8.037281     -3.748612      4.661598
  H      -8.106014     -2.088628      5.222402
  H      -6.402868     -2.394757      6.853362
  H      -5.664290     -3.731713      5.961714
  H      -7.713334     -5.728115      5.582127
  H      -8.742660     -7.408178      7.044468
  H      -8.418219     -8.980616      8.569205
  H      -9.415769    -10.685683     10.053997
  H     -10.629409     -9.994927     12.121378
  H     -10.850937     -7.572622     12.665725
  H      -9.893496     -5.865793     11.160016
  H      -8.034866     -4.875688     10.455637
  H      -7.051643     -3.166523      8.978689
  H      -0.797301     -4.696152      5.956497
  H      -0.839608     -4.641816      7.739224
  H      -1.226126     -6.149379      6.889949
  H      -2.807015     -3.524401      6.734009
  H      -3.543078     -4.130041      8.756875
  H      -4.678176     -5.050399      7.787670
  H      -2.179848     -6.128531      9.215358
  H      -3.202607     -7.129592      8.184489
  H      -3.523674     -4.749539     11.111871
  H      -5.111352     -5.102680     12.961792
  H      -6.772203     -9.249349     13.249577
  H      -8.338298     -9.566697     15.139433
  H      -9.363218     -7.582438     16.251461
  H      -8.905912     -5.302936     15.385104
  H      -7.356563     -4.987418     13.480239
  H      -6.593689     -8.647147     11.018845
  H      -4.995627     -8.299056      9.169731
  N      -3.311285     -1.854712      4.838205
  H      -3.862675     -1.650362      5.678631
  H      -3.516180     -1.102670      4.171045
  H      -2.327253     -1.741271      5.103870
126
Coordinates from ORCA-job /scratch/magstr/orcajob__5658506-Qzcs/orca E -6458.497286435637
  N      -2.381999     -3.956953      2.585832
  C      -2.313158     -5.144572      1.730781
  C      -2.960472     -6.313022      2.457335
  N      -4.222017     -5.861044      3.110522
  C      -5.322012     -5.642012      2.129823
  C      -6.346066     -4.680488      2.711816
  N      -5.644398     -3.581077      3.380470
  Mo     -3.788808     -3.924401      3.980072
  N      -3.479295     -5.068460      5.557440
  C      -3.725862     -6.504101      5.436177
  C      -4.627361     -6.750155      4.234364
  H      -4.243826     -6.894534      6.328067
  H      -2.779790     -7.071294      5.346013
  H      -5.659325     -6.484284      4.498705
  H      -4.611735     -7.805424      3.914637
  H      -6.978669     -4.312057      1.887401
  H      -7.023683     -5.210090      3.407705
  H      -4.868025     -5.194970      1.235701
  H      -5.778749     -6.603843      1.843053
  H      -1.269628     -5.418820      1.501645
  H      -2.808080     -4.966163      0.756584
  H      -2.295437     -6.661809      3.258665
  H      -3.159711     -7.159526      1.779452
  C      -0.453804     -2.923333      1.357119
  C      -1.828187     -2.718931      1.998098
  C      -2.845157     -2.069330      1.043092
  C      -2.505021     -0.631838      0.620290
  C      -3.701559      0.038021     -0.003729
  C      -4.699808      0.603216      0.802994
  C      -5.853980      1.149720      0.248810
  C      -6.056446      1.151925     -1.142852
  C      -7.287579      1.721178     -1.732421
  C      -7.254655      2.401545     -2.962388
  C      -8.417717      2.936172     -3.515623
  C      -9.639847      2.801147     -2.852193
  C      -9.688082      2.126543     -1.629664
  C      -8.524690      1.593463     -1.076051
  C      -5.050193      0.595433     -1.950668
  C      -3.896149      0.049315     -1.390591
  C      -7.292992     -1.826650      2.700493
  C      -6.502488     -2.471732      3.843349
  C      -7.424471     -2.894436      5.003442
  C      -6.654840     -3.279153      6.274549
  C      -7.317285     -4.298433      7.167215
  C      -7.790098     -5.514139      6.649836
  C      -8.355641     -6.482239      7.474521
  C      -8.464725     -6.282739      8.862532
  C      -9.059550     -7.312880      9.741061
  C      -8.943338     -8.680351      9.432639
  C      -9.480829     -9.653759     10.273586
  C     -10.148103     -9.281926     11.443638
  C     -10.275222     -7.928385     11.761114
  C      -9.738962     -6.956133     10.918978
  C      -7.980067     -5.070528      9.382091
  C      -7.423805     -4.099998      8.549983
  C      -1.346585     -5.057382      6.849211
  C      -2.816042     -4.622790      6.796526
  C      -3.624126     -4.976677      8.073384
  C      -3.217455     -6.241674      8.848801
  C      -4.150771     -6.491252     10.007317
  C      -4.209184     -5.599501     11.088787
  C      -5.104932     -5.796209     12.135619
  C      -5.974453     -6.901502     12.148689
  C      -6.928795     -7.101209     13.259602
  C      -7.224774     -8.388165     13.739091
  C      -8.101399     -8.569764     14.808048
  C      -8.707915     -7.468746     15.417012
  C      -8.437071     -6.184470     14.937716
  C      -7.558556     -6.003102     13.870749
  C      -5.902809     -7.802748     11.075308
  C      -5.012715     -7.594633     10.022814
  H       0.229779     -3.434403      2.049754
  H      -0.011968     -1.951337      1.099391
  H      -0.520741     -3.513004      0.431634
  H      -1.681527     -2.016701      2.837952
  H      -3.823277     -2.061339      1.554140
  H      -2.974207     -2.696666      0.145474
  H      -1.658600     -0.627782     -0.082393
  H      -2.186202     -0.062820      1.511272
  H      -4.562720      0.626150      1.888365
  H      -6.600991      1.608004      0.899539
  H      -6.301606      2.535237     -3.477595
  H      -8.368103      3.469087     -4.466751
  H     -10.549508      3.219536     -3.285598
  H     -10.639567      2.008322     -1.108125
  H      -8.577464      1.047207     -0.132115
  H      -5.185167      0.570258     -3.033432
  H      -3.134642     -0.385480     -2.042904
  H      -8.100787     -2.480846      2.342306
  H      -6.636886     -1.584538      1.852668
  H      -7.758929     -0.895311      3.051962
  H      -5.816640     -1.700186      4.234369
  H      -8.055323     -3.731664      4.668915
  H      -8.120075     -2.069547      5.222895
  H      -6.430285     -2.375138      6.863373
  H      -5.676112     -3.701316      5.969766
  H      -7.731866     -5.705772      5.575488
  H      -8.741781     -7.402019      7.031836
  H      -8.395915     -8.986505      8.539317
  H      -9.368584    -10.709536     10.020053
  H     -10.561458    -10.042965     12.107175
  H     -10.789169     -7.626762     12.674987
  H      -9.858970     -5.901912     11.172816
  H      -8.012707     -4.896628     10.458580
  H      -7.049659     -3.171047      8.987910
  H      -0.816137     -4.699328      5.955112
  H      -0.850722     -4.640617      7.737870
  H      -1.242920     -6.149934      6.893995
  H      -2.819126     -3.522056      6.741095
  H      -3.546584     -4.125061      8.767523
  H      -4.689427     -5.043183      7.804418
  H      -2.186689     -6.125819      9.220824
  H      -3.214223     -7.125263      8.193539
  H      -3.533447     -4.740663     11.118858
  H      -5.112596     -5.098426     12.975121
  H      -6.738674     -9.253695     13.285660
  H      -8.301473     -9.576974     15.177113
  H      -9.350339     -7.597970     16.276599
  H      -8.912445     -5.317904     15.400438
  H      -7.364668     -4.996576     13.494699
  H      -6.581297     -8.656164     11.045229
  H      -4.993048     -8.302086      9.189518
  N      -3.322086     -1.854369      4.842262
  H      -3.869628     -1.645869      5.684168
  H      -3.525066     -1.101952      4.174960
  H      -2.336655     -1.745671      5.104684
126
Coordinates from ORCA-job /scratch/magstr/orcajob__5658506-Qzcs/orca E -6458.497531127299
  N      -2.352964     -3.956119      2.585095
  C      -2.293612     -5.147068      1.734588
  C      -2.945817     -6.307974      2.466646
  N      -4.204143     -5.847526      3.121148
  C      -5.306769     -5.624357      2.143558
  C      -6.321884     -4.654259      2.727430
  N      -5.610445     -3.559736      3.392265
  Mo     -3.756139     -3.909113      3.985760
  N      -3.450976     -5.053013      5.564383
  C      -3.703380     -6.488038      5.445799
  C      -4.610791     -6.731322      4.249212
  H      -4.218156     -6.875144      6.341137
  H      -2.758979     -7.057693      5.352995
  H      -5.640046     -6.457105      4.515689
  H      -4.602782     -7.787422      3.931771
  H      -6.953395     -4.281129      1.904105
  H      -7.002327     -5.178141      3.424911
  H      -4.852549     -5.183596      1.246536
  H      -5.769763     -6.585056      1.863232
  H      -1.252209     -5.428305      1.503728
  H      -2.789593     -4.969023      0.760755
  H      -2.281465     -6.655563      3.269062
  H      -3.152046     -7.156750      1.793724
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  C      -7.336926      2.290634     -2.945451
  C      -8.513778      2.807618     -3.486361
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  C      -3.942473     -0.013974     -1.381767
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  C      -9.564736     -9.567072     10.295298
  C     -10.241335     -9.175049     11.453325
  C     -10.342601     -7.817393     11.763060
  C      -9.770979     -6.861549     10.925360
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  C      -7.375447     -4.064667      8.566065
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  C      -4.113611     -6.496934     10.001540
  C      -4.190834     -5.619271     11.093458
  C      -5.101126     -5.833265     12.124762
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  C      -7.246567     -8.455555     13.650864
  C      -8.159658     -8.656007     14.685222
  C      -8.792542     -7.566333     15.288134
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  H       0.254703     -3.441961      2.009794
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  H     -10.864974     -7.499925     12.666664
  H      -9.872266     -5.803766     11.172659
  H      -7.978002     -4.847022     10.475768
  H      -6.981650     -3.143245      9.002611
  H      -0.788677     -4.657730      5.963455
  H      -0.826208     -4.605847      7.746470
  H      -1.205281     -6.115137      6.896026
  H      -2.805106     -3.501552      6.749087
  H      -3.536253     -4.113830      8.772742
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  H      -2.146863     -6.091299      9.239361
  H      -3.144046     -7.106648      8.197640
  H      -3.520402     -4.757195     11.143772
  H      -5.125098     -5.145748     12.972306
  H      -6.746714     -9.313280     13.197583
  H      -8.374410     -9.670312     15.026288
  H      -9.484524     -7.715605     16.113723
  H      -9.006744     -5.415842     15.294969
  H      -7.393093     -5.060957     13.450730
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  N      -3.268091     -1.840342      4.829485
  H      -3.809853     -1.620041      5.672052
  H      -3.465661     -1.091736      4.156413
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126
Coordinates from ORCA-job /scratch/magstr/orcajob__5658506-Qzcs/orca E -6458.497521931366
  N      -2.300042     -3.964793      2.570240
  C      -2.243389     -5.153635      1.716839
  C      -2.890652     -6.317378      2.448709
  N      -4.147980     -5.860084      3.107509
  C      -5.252515     -5.633762      2.132744
  C      -6.266760     -4.666728      2.722597
  N      -5.554999     -3.574415      3.390689
  Mo     -3.699385     -3.922504      3.976906
  N      -3.390965     -5.071407      5.550944
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  C      -4.552691     -6.746679      4.234719
  H      -4.155205     -6.895461      6.326562
  H      -2.698776     -7.074703      5.333875
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  H      -2.223972     -6.665572      3.248878
  H      -3.098682     -7.165223      1.775135
  C      -0.412369     -2.928377      1.281171
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  C      -6.151349      1.074897     -1.006221
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  C      -9.618079     -9.597031     10.238427
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  H     -10.788928      3.017839     -2.949076
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  H      -5.415455      0.376842     -2.915511
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  H      -7.645663     -0.869309      3.081181
  H      -5.713362     -1.693486      4.251373
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  H      -7.999438     -2.055428      5.263496
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  H      -8.726710     -7.376365      7.016802
  H      -8.432466     -8.977273      8.553360
  H      -9.529493    -10.657296      9.994327
  H     -10.799775     -9.939250     12.018136
  H     -10.972171     -7.513097     12.564376
  H      -9.910226     -5.829988     11.104288
  H      -7.971652     -4.896618     10.457168
  H      -6.941715     -3.197093      9.001351
  H      -0.724837     -4.698000      5.952836
  H      -0.765030     -4.642033      7.735739
  H      -1.160162     -6.148233      6.887149
  H      -2.733135     -3.519286      6.727990
  H      -3.474000     -4.111523      8.753897
  H      -4.604394     -5.039842      7.790094
  H      -2.113753     -6.109013      9.239024
  H      -3.123270     -7.112825      8.196858
  H      -3.438583     -4.766757     11.149574
  H      -5.075696     -5.098195     12.960880
  H      -6.919382     -9.189323     13.110353
  H      -8.639787     -9.483176     14.863757
  H      -9.703027     -7.490830     15.930742
  H      -9.032499     -5.203352     15.196327
  H      -7.328171     -4.911499     13.424387
  H      -6.627363     -8.562556     10.926734
  H      -4.979668     -8.237258      9.119160
  N      -3.211256     -1.855339      4.819334
  H      -3.752966     -1.634861      5.661836
  H      -3.408791     -1.107679      4.145272
  H      -2.222984     -1.759311      5.075620
126
Coordinates from ORCA-job /scratch/magstr/orcajob__5658506-Qzcs/orca E -6458.497595489703
  N      -2.272998     -3.958578      2.571702
  C      -2.211587     -5.151070      1.723834
  C      -2.855664     -6.313963      2.460248
  N      -4.115545     -5.857107      3.114030
  C      -5.217496     -5.639619      2.134787
  C      -6.237443     -4.674098      2.716051
  N      -5.532772     -3.574096      3.380176
  Mo     -3.677620     -3.912239      3.973549
  N      -3.370675     -5.051877      5.554391
  C      -3.613685     -6.488880      5.440221
  C      -4.519206     -6.739822      4.244359
  H      -4.124022     -6.876881      6.337862
  H      -2.665215     -7.051963      5.347904
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  C      -7.308685     -2.888228      5.007714
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  H      -9.607193    -10.533012     10.133801
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  H      -8.067989     -4.761248     10.451730
  H      -6.997458     -3.107146      8.972365
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  H      -0.752521     -4.588261      7.741735
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  H      -4.904706     -8.256580      9.078494
  N      -3.203147     -1.837016      4.804032
  H      -3.750808     -1.614010      5.642009
  H      -3.401777     -1.095643      4.123370
  H      -2.216922     -1.732889      5.064992
126
Coordinates from ORCA-job /scratch/magstr/orcajob__5658506-Qzcs/orca E -6458.497498882945
  N      -2.301529     -3.956226      2.563332
  C      -2.237677     -5.147137      1.712867
  C      -2.875378     -6.313679      2.449691
  N      -4.133278     -5.862449      3.110893
  C      -5.241466     -5.649627      2.137955
  C      -6.263749     -4.689479      2.724349
  N      -5.561186     -3.584373      3.383469
  Mo     -3.700977     -3.917509      3.968376
  N      -3.382613     -5.055181      5.548159
  C      -3.618371     -6.493201      5.434773
  C      -4.526388     -6.749170      4.240879
  H      -4.126282     -6.883380      6.332413
  H      -2.668262     -7.053044      5.340667
  H      -5.558472     -6.488241      4.509619
  H      -4.506688     -7.805381      3.924191
  H      -6.903202     -4.325631      1.903211
  H      -6.934541     -5.218403      3.427257
  H      -4.794512     -5.204669      1.239279
  H      -5.696666     -6.614338      1.858334
  H      -1.195113     -5.419600      1.476456
  H      -2.739909     -4.973779      0.741554
  H      -2.203778     -6.657395      3.247666
  H      -3.078931     -7.164032      1.777867
  C      -0.412699     -2.914547      1.281498
  C      -1.770870     -2.716631      1.958018
  C      -2.814947     -2.076978      1.025633
  C      -2.494217     -0.640917      0.580692
  C      -3.718176      0.014906     -0.003807
  C      -4.650763      0.649582      0.828838
  C      -5.834957      1.175977      0.319412
  C      -6.134737      1.086010     -1.051292
  C      -7.399343      1.629876     -1.592544
  C      -7.447384      2.224220     -2.865745
  C      -8.642567      2.733316     -3.372840
  C      -9.816382      2.658239     -2.618942
  C      -9.784109      2.069539     -1.352394
  C      -8.588634      1.561771     -0.845006
  C      -5.192399      0.462127     -1.887090
  C      -4.008030     -0.062611     -1.372091
  C      -7.230295     -1.844840      2.714007
  C      -6.423816     -2.480289      3.851273
  C      -7.332467     -2.905730      5.021387
  C      -6.550165     -3.295318      6.283025
  C      -7.235491     -4.278715      7.198410
  C      -7.716110     -5.503697      6.711373
  C      -8.320927     -6.431375      7.554630
  C      -8.463637     -6.178738      8.930913
  C      -9.117959     -7.158607      9.824271
  C      -9.024433     -8.539855      9.577257
  C      -9.637073     -9.463004     10.424030
  C     -10.358424     -9.025150     11.537460
  C     -10.460299     -7.656908     11.795507
  C      -9.847049     -6.735175     10.948977
  C      -7.965123     -4.960591      9.421502
  C      -7.368307     -4.030939      8.570826
  C      -1.263264     -4.994908      6.860601
  C      -2.740483     -4.591852      6.792315
  C      -3.556099     -4.963506      8.058918
  C      -3.122759     -6.210386      8.850007
  C      -4.089914     -6.494266      9.972114
  C      -4.201404     -5.620481     11.063859
  C      -5.137981     -5.842075     12.069546
  C      -5.995394     -6.956240     12.029618
  C      -7.003262     -7.181605     13.087762
  C      -7.321098     -8.479174     13.522969
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  C      -8.916838     -7.600413     15.116498
  C      -8.616007     -6.304442     14.689732
  C      -7.669712     -6.097990     13.686984
  C      -5.866363     -7.842282     10.948661
  C      -4.936755     -7.608631      9.936558
  H       0.293863     -3.418653      1.956043
  H       0.016938     -1.940899      1.009279
  H      -0.500391     -3.507388      0.359745
  H      -1.606007     -2.009466      2.790424
  H      -3.779524     -2.065509      1.561961
  H      -2.967200     -2.711809      0.136976
  H      -1.672421     -0.638399     -0.150704
  H      -2.148614     -0.062932      1.455489
  H      -4.438850      0.744671      1.898087
  H      -6.529372      1.689125      0.987145
  H      -6.531544      2.311829     -3.453314
  H      -8.655371      3.199375     -4.359632
  H     -10.751141      3.056644     -3.016357
  H     -10.697408      1.998769     -0.758907
  H      -8.579399      1.081611      0.135613
  H      -5.402947      0.367205     -2.953835
  H      -3.298069     -0.550770     -2.044568
  H      -8.038937     -2.504437      2.367841
  H      -6.584634     -1.601743      1.858500
  H      -7.696767     -0.913585      3.065155
  H      -5.741249     -1.700834      4.232404
  H      -7.969067     -3.740768      4.692077
  H      -8.022465     -2.078354      5.249609
  H      -6.290125     -2.390077      6.854822
  H      -5.591593     -3.753160      5.968205
  H      -7.635679     -5.733069      5.645674
  H      -8.713320     -7.359444      7.135193
  H      -8.440929     -8.896956      8.726576
  H      -9.542178    -10.530822     10.218331
  H     -10.832421     -9.746829     12.204454
  H     -11.015598     -7.303649     12.665522
  H      -9.948449     -5.668384     11.154282
  H      -8.024755     -4.747595     10.489955
  H      -6.986309     -3.094655      8.985658
  H      -0.728819     -4.622801      5.974650
  H      -0.784833     -4.574971      7.757252
  H      -1.139287     -6.085746      6.899991
  H      -2.769589     -3.491559      6.734476
  H      -3.522953     -4.106221      8.749833
  H      -4.613887     -5.067784      7.772129
  H      -2.111622     -6.052693      9.258011
  H      -3.061823     -7.092867      8.196043
  H      -3.537436     -4.754781     11.134094
  H      -5.187819     -5.157296     12.918239
  H      -6.802669     -9.333441     13.084389
  H      -8.488684     -9.702035     14.857657
  H      -9.642066     -7.758423     15.910252
  H      -9.122413     -5.448761     15.139907
  H      -7.454538     -5.082673     13.347937
  H      -6.531534     -8.703786     10.879811
  H      -4.872166     -8.305142      9.096334
  N      -3.236097     -1.839938      4.806384
  H      -3.779626     -1.625781      5.649413
  H      -3.446854     -1.096466      4.131609
  H      -2.249379     -1.725626      5.061261
126
Coordinates from ORCA-job /scratch/magstr/orcajob__5658506-Qzcs/orca E -6458.497597124662
  N      -2.307156     -3.957659      2.561486
  C      -2.239011     -5.143144      1.703306
  C      -2.875678     -6.315969      2.431481
  N      -4.135189     -5.872752      3.095169
  C      -5.244351     -5.656107      2.123914
  C      -6.268838     -4.701663      2.716912
  N      -5.567838     -3.600302      3.383358
  Mo     -3.706769     -3.933933      3.966001
  N      -3.384580     -5.080985      5.538329
  C      -3.620701     -6.518181      5.415920
  C      -4.527268     -6.767882      4.218878
  H      -4.129888     -6.914115      6.310088
  H      -2.670809     -7.077868      5.319211
  H      -5.559699     -6.510433      4.489468
  H      -4.506022     -7.822101      3.895958
  H      -6.909725     -4.333578      1.898822
  H      -6.938242     -5.236464      3.416694
  H      -4.799602     -5.204116      1.227769
  H      -5.698254     -6.619491      1.837732
  H      -1.195865     -5.412068      1.466047
  H      -2.741120     -4.965107      0.732766
  H      -2.203250     -6.663171      3.227325
  H      -3.075341     -7.162152      1.753298
  C      -0.417228     -2.902322      1.290890
  C      -1.777186     -2.712475      1.966284
  C      -2.821949     -2.068774      1.037674
  C      -2.503643     -0.629001      0.604117
  C      -3.726402      0.029236      0.019736
  C      -4.664191      0.656181      0.852626
  C      -5.845761      1.186309      0.340829
  C      -6.137260      1.109098     -1.032484
  C      -7.397202      1.660021     -1.576906
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  C      -8.624667      2.785332     -3.354577
  C      -9.804681      2.703368     -2.611180
  C      -9.783297      2.100094     -1.351206
  C      -8.592648      1.584978     -0.840012
  C      -5.189746      0.493044     -1.868036
  C      -4.008523     -0.036194     -1.350797
  C      -7.234266     -1.852777      2.727174
  C      -6.429405     -2.499223      3.859454
  C      -7.338800     -2.934346      5.024947
  C      -6.558202     -3.339189      6.283471
  C      -7.242059     -4.339280      7.181503
  C      -7.723172     -5.554011      6.669604
  C      -8.329945     -6.497920      7.492825
  C      -8.472099     -6.274210      8.873980
  C      -9.127933     -7.272110      9.746301
  C      -9.045290     -8.647317      9.463140
  C      -9.660224     -9.587912     10.288516
  C     -10.370823     -9.174363     11.417856
  C     -10.461229     -7.812731     11.712257
  C      -9.848220     -6.873138     10.885474
  C      -7.971221     -5.067278      9.390104
  C      -7.374957     -4.119758      8.558713
  C      -1.261516     -5.051517      6.847016
  C      -2.732923     -4.626409      6.780924
  C      -3.549472     -4.977434      8.053241
  C      -3.135029     -6.226084      8.851585
  C      -4.093476     -6.473941      9.989558
  C      -4.171400     -5.582505     11.069794
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  C      -8.254534     -8.497792     14.636870
  C      -8.877219     -7.387890     15.212380
  C      -8.555940     -6.106810     14.756689
  C      -7.618732     -5.938960     13.738364
  C      -5.887603     -7.766714     11.008243
  C      -4.965850     -7.569164      9.981366
  H       0.288375     -3.409705      1.963864
  H       0.009858     -1.925631      1.026151
  H      -0.502191     -3.489308      0.365232
  H      -1.616170     -2.011746      2.804850
  H      -3.787241     -2.066069      1.572764
  H      -2.970172     -2.697513      0.144016
  H      -1.680049     -0.620739     -0.125170
  H      -2.160826     -0.056167      1.483364
  H      -4.457097      0.743627      1.923422
  H      -6.543857      1.693883      1.008982
  H      -6.513959      2.361186     -3.423186
  H      -8.629004      3.262657     -4.336020
  H     -10.735606      3.107668     -3.011505
  H     -10.701575      2.023632     -0.766236
  H      -8.592156      1.094030      0.135259
  H      -5.393113      0.408634     -2.937056
  H      -3.294573     -0.518014     -2.023546
  H      -8.042940     -2.508513      2.373961
  H      -6.587720     -1.602558      1.874286
  H      -7.700390     -0.924901      3.087369
  H      -5.745570     -1.724812      4.248334
  H      -7.975454     -3.766025      4.686908
  H      -8.029398     -2.109987      5.261960
  H      -6.301306     -2.441977      6.869453
  H      -5.596814     -3.788017      5.964108
  H      -7.641631     -5.761710      5.599574
  H      -8.723851     -7.416369      7.054148
  H      -8.469580     -8.985547      8.599725
  H      -9.574987    -10.650646     10.054403
  H     -10.845943     -9.909913     12.068626
  H     -11.006845     -7.479151     12.596065
  H      -9.942060     -5.811279     11.117928
  H      -8.029520     -4.877405     10.462989
  H      -6.992648     -3.192261      8.992573
  H      -0.724937     -4.691752      5.957317
  H      -0.775163     -4.632402      7.739773
  H      -1.152908     -6.143584      6.892885
  H      -2.743866     -3.525975      6.719801
  H      -3.494253     -4.116600      8.738211
  H      -4.610771     -5.062947      7.773402
  H      -2.115946     -6.085996      9.246077
  H      -3.101282     -7.117238      8.207699
  H      -3.487299     -4.731174     11.118454
  H      -5.123368     -5.069094     12.928448
  H      -6.823760     -9.202275     13.188895
  H      -8.493129     -9.502413     14.990192
  H      -9.597659     -7.516433     16.017418
  H      -9.040646     -5.232898     15.195609
  H      -7.387990     -4.934937     13.376662
  H      -6.574096     -8.612702     10.958887
  H      -4.928630     -8.278351      9.150196
  N      -3.245279     -1.862266      4.822315
  H      -3.785830     -1.656660      5.669389
  H      -3.459916     -1.112480      4.155800
  H      -2.257922     -1.748013      5.074705
126
Coordinates from ORCA-job /scratch/magstr/orcajob__5658506-Qzcs/orca E -6458.497590602629
  N      -2.235749     -3.958629      2.563332
  C      -2.173209     -5.147992      1.710938
  C      -2.817604     -6.314166      2.442262
  N      -4.078247     -5.860770      3.096979
  C      -5.179781     -5.639201      2.118105
  C      -6.200409     -4.676446      2.703278
  N      -5.496081     -3.579142      3.371975
  Mo     -3.641073     -3.919703      3.964632
  N      -3.335279     -5.066023      5.540855
  C      -3.579246     -6.502286      5.421072
  C      -4.483207     -6.748605      4.222779
  H      -4.091064     -6.893232      6.316656
  H      -2.631221     -7.065933      5.327842
  H      -5.514953     -6.480926      4.486526
  H      -4.468466     -7.803918      3.902712
  H      -6.832689     -4.304377      1.880078
  H      -6.878820     -5.205373      3.398952
  H      -4.724938     -5.193379      1.223790
  H      -5.637274     -6.601325      1.833534
  H      -1.130671     -5.423127      1.477148
  H      -2.671692     -4.970728      0.738224
  H      -2.151777     -6.660329      3.244040
  H      -3.020501     -7.162967      1.768310
  C      -0.369812     -2.906911      1.253947
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  C      -2.782336     -2.081151      1.042502
  C      -2.486205     -0.639675      0.598660
  C      -3.733446      0.002811      0.049630
  C      -4.635094      0.651745      0.904697
  C      -5.845781      1.153618      0.433287
  C      -6.203056      1.024607     -0.920129
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  C      -7.610636      2.096916     -2.703988
  C      -8.834488      2.576199     -3.170339
  C      -9.972604      2.505346     -2.363178
  C      -9.875818      1.951743     -1.084273
  C      -8.651684      1.474043     -0.617358
  C      -5.290543      0.388755     -1.780005
  C      -4.080389     -0.112180     -1.302864
  C      -7.147298     -1.823485      2.701241
  C      -6.353579     -2.472343      3.840378
  C      -7.272613     -2.900959      5.000812
  C      -6.501888     -3.314443      6.262043
  C      -7.211600     -4.297689      7.159500
  C      -7.693994     -5.514345      6.654009
  C      -8.323389     -6.442677      7.478119
  C      -8.494808     -6.197298      8.852197
  C      -9.182014     -7.175649      9.721779
  C      -9.090382     -8.556623      9.473668
  C      -9.739928     -9.477744     10.294775
  C     -10.496991     -9.037885     11.383444
  C     -10.596683     -7.669814     11.642960
  C      -9.946192     -6.750391     10.822103
  C      -7.995476     -4.987177      9.361522
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  C      -3.093609     -6.232058      8.834011
  C      -4.059534     -6.488429      9.963963
  C      -4.107904     -5.633797     11.075561
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  C      -7.429650     -8.337334     13.458858
  C      -8.420006     -8.501528     14.425864
  C      -9.002530     -7.387315     15.034385
  C      -8.580292     -6.105931     14.670644
  C      -7.589079     -5.942736     13.703658
  C      -5.908489     -7.744739     10.926293
  C      -4.971020     -7.549353      9.913450
  H       0.350577     -3.410682      1.913945
  H       0.051340     -1.930324      0.978802
  H      -0.470725     -3.495943      0.331042
  H      -1.541659     -2.010757      2.784931
  H      -3.737076     -2.081435      1.596256
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  H      -1.682593     -0.623996     -0.152664
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  H      -4.379063      0.777336      1.960984
  H      -6.516769      1.676441      1.117270
  H      -6.723160      2.181711     -3.333909
  H      -8.897559      3.015846     -4.167289
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  H     -10.760721      1.884713     -0.448789
  H      -8.592007      1.021128      0.374373
  H      -5.545645      0.263467     -2.833794
  H      -3.395715     -0.612577     -1.992504
  H      -7.961251     -2.472981      2.348360
  H      -6.494520     -1.583309      1.850185
  H      -7.604987     -0.888364      3.053853
  H      -5.669529     -1.699134      4.231480
  H      -7.914458     -3.726106      4.657295
  H      -7.955635     -2.069243      5.234106
  H      -6.231215     -2.419826      6.845395
  H      -5.549026     -3.785697      5.947721
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  H      -8.479438     -8.916105      8.643188
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  H     -10.999050     -9.758067     12.031236
  H     -11.175534     -7.315506     12.496841
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  H      -8.076539     -4.780210     10.429559
  H      -6.985879     -3.129411      8.960294
  H      -0.673778     -4.679678      5.956807
  H      -0.722704     -4.631718      7.739726
  H      -1.109061     -6.135131      6.882581
  H      -2.691547     -3.511518      6.724364
  H      -3.439634     -4.116464      8.747677
  H      -4.560303     -5.045208      7.773512
  H      -2.074153     -6.109272      9.232927
  H      -3.068339     -7.112681      8.175017
  H      -3.392535     -4.811088     11.157375
  H      -5.049286     -5.151817     12.948923
  H      -6.975144     -9.215189     12.996337
  H      -8.740918     -9.507018     14.704606
  H      -9.789161     -7.517088     15.785011
  H      -9.035719     -5.227631     15.132310
  H      -7.288455     -4.937068     13.403075
  H      -6.628053     -8.560181     10.842826
  H      -4.956720     -8.229201      9.057264
  N      -3.168157     -1.847834      4.804828
  H      -3.713943     -1.629564      5.645297
  H      -3.369686     -1.103269      4.128467
  H      -2.181459     -1.743328      5.063879
126
Coordinates from ORCA-job /scratch/magstr/orcajob__5658506-Qzcs/orca E -6458.497712251260
  N      -2.269098     -3.957548      2.558549
  C      -2.202390     -5.146319      1.705247
  C      -2.839116     -6.315960      2.438177
  N      -4.099011     -5.869243      3.098618
  C      -5.206258     -5.654503      2.124858
  C      -6.230386     -4.697617      2.713841
  N      -5.529578     -3.594844      3.377922
  Mo     -3.669697     -3.926642      3.963225
  N      -3.351156     -5.069477      5.539355
  C      -3.587299     -6.507108      5.421451
  C      -4.493451     -6.759895      4.225334
  H      -4.095952     -6.900030      6.317639
  H      -2.637061     -7.066611      5.326634
  H      -5.526005     -6.500004      4.493422
  H      -4.472838     -7.815162      3.905636
  H      -6.869566     -4.331074      1.893612
  H      -6.901463     -5.229865      3.414029
  H      -4.758957     -5.205791      1.228208
  H      -5.660029     -6.618778      1.841523
  H      -1.159263     -5.416500      1.468724
  H      -2.704484     -4.971561      0.734031
  H      -2.167935     -6.659955      3.236434
  H      -3.039522     -7.165048      1.763840
  C      -0.394437     -2.904067      1.264516
  C      -1.747195     -2.713878      1.953765
  C      -2.803336     -2.075607      1.033903
  C      -2.495284     -0.636237      0.591106
  C      -3.730660      0.014667      0.025466
  C      -4.644199      0.661864      0.869390
  C      -5.840197      1.180139      0.379068
  C      -6.171039      1.069516     -0.982804
  C      -7.448508      1.603788     -1.503099
  C      -7.525891      2.180030     -2.783151
  C      -8.732882      2.680557     -3.270458
  C      -9.889436      2.614681     -2.489516
  C      -9.827872      2.044082     -1.215789
  C      -8.620547      1.545032     -0.728138
  C      -5.247346      0.433740     -1.830511
  C      -4.051499     -0.083100     -1.334736
  C      -7.195184     -1.850013      2.713717
  C      -6.391883     -2.492503      3.849383
  C      -7.302960     -2.924319      5.014819
  C      -6.523952     -3.328928      6.274047
  C      -7.220291     -4.314876      7.178241
  C      -7.697377     -5.535843      6.677779
  C      -8.317836     -6.465834      7.506625
  C      -8.482284     -6.219147      8.881425
  C      -9.159854     -7.199095      9.757215
  C      -9.068252     -8.579955      9.507116
  C      -9.708281     -9.502725     10.333733
  C     -10.455909     -9.064855     11.429616
  C     -10.555869     -7.697101     11.690804
  C      -9.914590     -6.775793     10.864903
  C      -7.985816     -5.005838      9.386233
  C      -7.371581     -4.074242      8.550016
  C      -1.231453     -5.032082      6.851359
  C      -2.703709     -4.610847      6.782413
  C      -3.522873     -4.967628      8.051306
  C      -3.109249     -6.220301      8.843903
  C      -4.076443     -6.479368      9.972003
  C      -4.152615     -5.606854     11.067895
  C      -5.089482     -5.801830     12.078907
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  H      -1.683068     -0.627233     -0.150949
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  H      -6.623690      2.260467     -3.392401
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  H     -10.833441      3.006428     -2.871386
  H     -10.727539      1.980630     -0.601039
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  H      -5.481717      0.323065     -2.890753
  H      -3.357000     -0.581339     -2.015955
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  H      -7.661152     -0.920225      3.069407
  H      -5.709567     -1.715772      4.236401
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  H      -8.707715     -7.389875      7.076169
  H      -8.465266     -8.937024      8.670045
  H      -9.615031    -10.570293     10.126007
  H     -10.952236     -9.786264     12.080454
  H     -11.131000     -7.344256     12.547888
  H     -10.015313     -5.709236     11.071430
  H      -8.061040     -4.798464     10.454726
  H      -6.992121     -3.141646      8.975360
  H      -0.693029     -4.670011      5.963694
  H      -0.747864     -4.614056      7.746137
  H      -1.121030     -6.124166      6.895287
  H      -2.718514     -3.510453      6.721447
  H      -3.473280     -4.109840      8.740562
  H      -4.582934     -5.054687      7.767588
  H      -2.093309     -6.081237      9.246619
  H      -3.069335     -7.106093      8.192810
  H      -3.459892     -4.763894     11.137226
  H      -5.111510     -5.118948     12.930318
  H      -6.880714     -9.238576     13.076001
  H      -8.594016     -9.557430     14.832305
  H      -9.692152     -7.582824     15.888119
  H      -9.064087     -5.284910     15.150847
  H      -7.368092     -4.968004     13.375588
  H      -6.585491     -8.609425     10.884487
  H      -4.922885     -8.260053      9.094221
  N      -3.207009     -1.851804      4.807363
  H      -3.748872     -1.640457      5.652172
  H      -3.419487     -1.106336      4.135317
  H      -2.219764     -1.738201      5.060513
126
Coordinates from ORCA-job /scratch/magstr/orcajob__5658506-Qzcs/orca E -6458.497714175437
  N      -2.239532     -3.954248      2.548864
  C      -2.168797     -5.139945      1.691596
  C      -2.801054     -6.314638      2.420881
  N      -4.062259     -5.874337      3.083051
  C      -5.170287     -5.660006      2.110087
  C      -6.198285     -4.709435      2.702552
  N      -5.501973     -3.605734      3.370120
  Mo     -3.640415     -3.932832      3.953512
  N      -3.318146     -5.079058      5.526097
  C      -3.549096     -6.517188      5.404216
  C      -4.453728     -6.769999      4.206822
  H      -4.056787     -6.914071      6.298985
  H      -2.596890     -7.073160      5.308584
  H      -5.487458     -6.515098      4.475174
  H      -4.428869     -7.824170      3.883835
  H      -6.839324     -4.343047      1.883732
  H      -6.866812     -5.246501      3.401477
  H      -4.724650     -5.205944      1.215315
  H      -5.620408     -6.624817      1.822736
  H      -1.124749     -5.405369      1.453794
  H      -2.671899     -4.964007      0.721118
  H      -2.128434     -6.659286      3.217646
  H      -2.998649     -7.162044      1.743607
  C      -0.375843     -2.885722      1.250627
  C      -1.726324     -2.705450      1.946941
  C      -2.790237     -2.069123      1.034904
  C      -2.493405     -0.625894      0.596725
  C      -3.737612      0.019203      0.044073
  C      -4.639046      0.673352      0.895563
  C      -5.844496      1.182847      0.419118
  C      -6.197080      1.056398     -0.935845
  C      -7.484525      1.580822     -1.441245
  C      -7.584219      2.143915     -2.725584
  C      -8.800707      2.634697     -3.198984
  C      -9.944735      2.571962     -2.399569
  C      -9.861002      2.014386     -1.121344
  C      -8.644171      1.525113     -0.647622
  C      -5.284999      0.414542     -1.791617
  C      -4.079929     -0.093750     -1.309787
  C      -7.175000     -1.864346      2.714330
  C      -6.369400     -2.509351      3.846958
  C      -7.279094     -2.949804      5.010063
  C      -6.498251     -3.359831      6.266060
  C      -7.203557     -4.334875      7.174960
  C      -7.684425     -5.556890      6.680409
  C      -8.319731     -6.475054      7.511215
  C      -8.494575     -6.215336      8.882368
  C      -9.189299     -7.181448      9.760167
  C      -9.110102     -8.565268      9.522417
  C      -9.767585     -9.474235     10.350690
  C     -10.520139     -9.019318     11.436127
  C     -10.607866     -7.648450     11.685047
  C      -9.949571     -6.740911     10.857256
  C      -7.992144     -5.002374      9.381840
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  C      -1.205326     -5.041927      6.849581
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  C      -4.958546     -7.560779      9.918510
  H       0.344345     -3.388122      1.911836
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  H      -1.557217     -2.003815      2.783130
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  H      -2.948538     -2.698759      0.143587
  H      -1.686858     -0.609018     -0.151361
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  H      -4.385443      0.798005      1.952558
  H      -6.514505      1.710745      1.100161
  H      -6.691952      2.221855     -3.349626
  H      -8.853570      3.076937     -4.195357
  H     -10.896174      2.956067     -2.770575
  H     -10.750732      1.953462     -0.492059
  H      -8.595116      1.069414      0.343438
  H      -5.536061      0.292224     -2.846754
  H      -3.395137     -0.597391     -1.996834
  H      -7.979331     -2.523425      2.357362
  H      -6.527841     -1.607125      1.864023
  H      -7.646966     -0.939781      3.075684
  H      -5.690363     -1.731781      4.237970
  H      -7.915524     -3.780522      4.669216
  H      -7.969210     -2.125780      5.249915
  H      -6.218380     -2.463041      6.842042
  H      -5.550329     -3.833772      5.943660
  H      -7.579540     -5.790184      5.617579
  H      -8.712601     -7.399949      7.085305
  H      -8.503817     -8.935505      8.693542
  H      -9.683762    -10.544425     10.152697
  H     -11.030018     -9.729986     12.088277
  H     -11.187826     -7.282362     12.533307
  H     -10.040796     -5.671565     11.053720
  H      -8.074686     -4.786383     10.448133
  H      -6.981309     -3.148745      8.964296
  H      -0.662139     -4.680036      5.964771
  H      -0.726440     -4.623942      7.746899
  H      -1.095273     -6.134017      6.894187
  H      -2.691479     -3.520270      6.711198
  H      -3.459257     -4.116908      8.725151
  H      -4.561564     -5.065300      7.747535
  H      -2.080789     -6.084991      9.245745
  H      -3.048995     -7.114186      8.188591
  H      -3.450167     -4.767686     11.126063
  H      -5.119080     -5.108303     12.905748
  H      -6.935315     -9.213244     13.031831
  H      -8.659962     -9.513146     14.780065
  H      -9.730064     -7.526176     15.840673
  H      -9.071943     -5.235637     15.109131
  H      -7.366081     -4.937179     13.340545
  H      -6.600701     -8.591244     10.852899
  H      -4.919677     -8.257227      9.076623
  N      -3.189128     -1.858101      4.803693
  H      -3.732269     -1.653003      5.649222
  H      -3.406958     -1.112271      4.133764
  H      -2.202646     -1.738457      5.056978
126
Coordinates from ORCA-job /scratch/magstr/orcajob__5658506-Qzcs/orca E -6458.497723573669
  N      -2.261190     -3.958246      2.554686
  C      -2.193735     -5.146035      1.700007
  C      -2.828183     -6.317135      2.432529
  N      -4.087755     -5.873215      3.095513
  C      -5.197324     -5.659285      2.124163
  C      -6.221819     -4.704419      2.716088
  N      -5.521108     -3.600991      3.378943
  Mo     -3.659746     -3.931243      3.960933
  N      -3.336207     -5.074858      5.535579
  C      -3.570767     -6.512719      5.416638
  C      -4.478514     -6.766043      4.221607
  H      -4.077808     -6.907115      6.313023
  H      -2.620153     -7.071193      5.319896
  H      -5.511061     -6.508717      4.492067
  H      -4.456369     -7.820918      3.900793
  H      -6.863905     -4.338724      1.897766
  H      -6.890243     -5.238041      3.417812
  H      -4.752820     -5.208837      1.227016
  H      -5.650450     -6.623770      1.840509
  H      -1.150693     -5.414829      1.461768
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  H      -2.155132     -6.661007      3.229294
  H      -3.027795     -7.165728      1.757328
  C      -0.391351     -2.898495      1.257848
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  C      -2.501643     -0.633034      0.597152
  C      -3.740210      0.015134      0.035431
  C      -4.653187      0.660296      0.881576
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  C      -6.184856      1.065780     -0.967281
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  C      -9.905777      2.610643     -2.468288
  C      -9.842869      2.037803     -1.195611
  C      -8.634892      1.538697     -0.709673
  C      -5.261780      0.431934     -1.817098
  C      -4.064116     -0.083083     -1.324064
  C      -7.186107     -1.854701      2.716859
  C      -6.382725     -2.498665      3.851561
  C      -7.293262     -2.931003      5.017236
  C      -6.514002     -3.338954      6.275650
  C      -7.214550     -4.320922      7.180608
  C      -7.690607     -5.543004      6.681439
  C      -8.317279     -6.469343      7.509665
  C      -8.488362     -6.217918      8.882797
  C      -9.169477     -7.194555      9.759407
  C      -9.078817     -8.576342      9.514003
  C      -9.719404     -9.495804     10.343855
  C     -10.465768     -9.053553     11.438827
  C     -10.565235     -7.684776     11.694911
  C      -9.924783     -6.766700     10.864890
  C      -7.992661     -5.003932      9.386437
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  C      -3.508096     -4.971162      8.047607
  C      -3.097363     -6.222768      8.843513
  C      -4.068651     -6.479318      9.968529
  C      -4.151017     -5.603213     11.061106
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  C      -8.354568     -8.527804     14.488161
  C      -8.965301     -7.419527     15.079472
  C      -8.600074     -6.134144     14.671460
  C      -7.632616     -5.960944     13.682578
  C      -5.888393     -7.768222     10.944701
  C      -4.950303     -7.566274      9.933876
  H       0.325559     -3.401409      1.922195
  H       0.028279     -1.920690      0.985213
  H      -0.486583     -3.488010      0.334746
  H      -1.573515     -2.009736      2.786000
  H      -3.761441     -2.078239      1.583008
  H      -2.959580     -2.705234      0.144080
  H      -1.690608     -0.618758     -0.146125
  H      -2.148426     -0.057692      1.470506
  H      -4.414037      0.773003      1.943275
  H      -6.530487      1.697004      1.071497
  H      -6.640515      2.259889     -3.374118
  H      -8.786445      3.132616     -4.241692
  H     -10.850295      3.002482     -2.848760
  H     -10.742111      1.972675     -0.580423
  H      -8.602177      1.071442      0.276663
  H      -5.497962      0.321570     -2.876979
  H      -3.370301     -0.579884     -2.007009
  H      -7.993210     -2.511980      2.362816
  H      -6.538255     -1.603880      1.865146
  H      -7.654175     -0.926940      3.075026
  H      -5.699536     -1.722847      4.238814
  H      -7.932443     -3.761024      4.679855
  H      -7.980917     -2.104115      5.254120
  H      -6.241450     -2.441693      6.854415
  H      -5.561078     -3.805419      5.955841
  H      -7.587453     -5.770621      5.617258
  H      -8.705123     -7.394933      7.080641
  H      -8.475705     -8.936235      8.678240
  H      -9.626618    -10.564210     10.140298
  H     -10.961874     -9.772363     12.092689
  H     -11.140900     -7.328582     12.550283
  H     -10.024271     -5.699274     11.067569
  H      -8.071917     -4.794353     10.454194
  H      -6.993857     -3.142484      8.975112
  H      -0.677186     -4.685965      5.959842
  H      -0.731894     -4.624907      7.742074
  H      -1.109128     -6.136518      6.895636
  H      -2.697556     -3.517724      6.716919
  H      -3.456890     -4.112163      8.735237
  H      -4.567977     -5.056981      7.763147
  H      -2.082876     -6.082873      9.249672
  H      -3.055095     -7.109870      8.194417
  H      -3.459385     -4.759389     11.130782
  H      -5.121136     -5.108137     12.915675
  H      -6.904870     -9.226239     13.056254
  H      -8.629287     -9.536027     14.803194
  H      -9.719827     -7.555969     15.854745
  H      -9.076168     -5.261209     15.121846
  H      -7.370071     -4.953173     13.354530
  H      -6.581799     -8.607121     10.874721
  H      -4.908619     -8.264299      9.093413
  N      -3.198351     -1.856954      4.808539
  H      -3.737028     -1.648454      5.656107
  H      -3.415177     -1.110145      4.139337
  H      -2.210352     -1.741444      5.057897
126
Coordinates from ORCA-job /scratch/magstr/orcajob__5658506-Qzcs/orca E -6458.497727489254
  N      -2.259936     -3.960380      2.551855
  C      -2.192015     -5.149121      1.698581
  C      -2.824421     -6.320008      2.433261
  N      -4.084062     -5.876722      3.096457
  C      -5.194358     -5.665492      2.125412
  C      -6.219496     -4.711042      2.716788
  N      -5.519544     -3.605791      3.377223
  Mo     -3.657566     -3.933112      3.958933
  N      -3.331993     -5.074187      5.535078
  C      -3.565214     -6.512471      5.418289
  C      -4.473190     -6.768487      4.223993
  H      -4.071566     -6.906045      6.315530
  H      -2.614089     -7.070143      5.322054
  H      -5.505941     -6.511977      4.494533
  H      -4.449920     -7.823771      3.904620
  H      -6.862873     -4.347471      1.898508
  H      -6.886628     -5.244456      3.419923
  H      -4.750878     -5.215734      1.227382
  H      -5.646501     -6.630922      1.843432
  H      -1.148890     -5.417132      1.459755
  H      -2.696958     -4.976040      0.728507
  H      -2.150406     -6.661843      3.230084
  H      -3.023455     -7.169816      1.759420
  C      -0.392234     -2.901923      1.251353
  C      -1.742296     -2.714898      1.946616
  C      -2.803910     -2.077002      1.032748
  C      -2.501757     -0.635454      0.593441
  C      -3.740648      0.014228      0.034253
  C      -4.649702      0.662926      0.881845
  C      -5.848265      1.180448      0.396827
  C      -6.186008      1.068206     -0.963178
  C      -7.465236      1.603310     -1.478102
  C      -7.547135      2.179118     -2.758100
  C      -8.755340      2.681166     -3.240748
  C      -9.908827      2.617266     -2.455105
  C      -9.842793      2.047099     -1.181392
  C      -8.634204      1.546594     -0.698416
  C      -5.266922      0.430587     -1.814544
  C      -4.068823     -0.085910     -1.324111
  C      -7.186838     -1.862612      2.712856
  C      -6.381950     -2.503448      3.848217
  C      -7.291191     -2.934825      5.015110
  C      -6.510388     -3.340730      6.273183
  C      -7.209831     -4.321878      7.179695
  C      -7.681655     -5.546484      6.682714
  C      -8.307855     -6.472173      7.511912
  C      -8.483429     -6.217163      8.883830
  C      -9.166620     -7.191991      9.760847
  C      -9.071673     -8.574463      9.521147
  C      -9.716358     -9.492089     10.349864
  C     -10.471723     -9.047187     11.437549
  C     -10.575484     -7.677687     11.687964
  C      -9.930322     -6.761509     10.859572
  C      -7.991735     -5.000674      9.385406
  C      -7.371810     -4.073316      8.548685
  C      -1.214293     -5.041848      6.851180
  C      -2.684849     -4.615284      6.778073
  C      -3.508190     -4.966314      8.046178
  C      -3.099545     -6.217445      8.843906
  C      -4.073198     -6.473276      9.967123
  C      -4.158055     -5.596579     11.059054
  C      -5.100734     -5.789472     12.065068
  C      -5.993828     -6.875031     12.023713
  C      -7.012456     -7.067328     13.078071
  C      -7.385825     -8.354644     13.499335
  C      -8.352533     -8.532101     14.487671
  C      -8.969226     -7.425946     15.076791
  C      -8.608861     -6.139344     14.668275
  C      -7.640755     -5.962898     13.680570
  C      -5.891564     -7.764662     10.942673
  C      -4.953403     -7.561396      9.932175
  H       0.325669     -3.404665      1.914756
  H       0.027227     -1.924455      0.977250
  H      -0.489479     -3.492098      0.328869
  H      -1.571131     -2.011957      2.781239
  H      -3.761183     -2.079252      1.582148
  H      -2.962424     -2.707419      0.141994
  H      -1.692267     -0.622371     -0.151561
  H      -2.145958     -0.060265      1.465850
  H      -4.407278      0.776862      1.942661
  H      -6.524303      1.703817      1.075436
  H      -6.647333      2.257960     -3.371104
  H      -8.794408      3.133153     -4.233380
  H     -10.853823      3.010236     -2.833225
  H     -10.740084      1.985188     -0.563026
  H      -8.599124      1.081536      0.288890
  H      -5.506647      0.318401     -2.873435
  H      -3.378187     -0.585636     -2.008157
  H      -7.992835     -2.521928      2.360037
  H      -6.539765     -1.611826      1.860609
  H      -7.656522     -0.935209      3.069866
  H      -5.699414     -1.726120      4.233592
  H      -7.929862     -3.765946      4.679467
  H      -7.979347     -2.108243      5.251622
  H      -6.237392     -2.442646      6.850458
  H      -5.557829     -3.807315      5.952935
  H      -7.575499     -5.776513      5.619342
  H      -8.692894     -7.399607      7.084378
  H      -8.462385     -8.936170      8.690643
  H      -9.620351    -10.561066     10.150823
  H     -10.971139     -9.764531     12.090504
  H     -11.157823     -7.319487     12.537916
  H     -10.033645     -5.693546     11.057285
  H      -8.074795     -4.788143     10.452260
  H      -6.995769     -3.138195      8.971534
  H      -0.673592     -4.685873      5.962449
  H      -0.731029     -4.620148      7.744397
  H      -1.107214     -6.133949      6.901422
  H      -2.694497     -3.515021      6.714517
  H      -3.457654     -4.106618      8.732969
  H      -4.567606     -5.051939      7.759903
  H      -2.085871     -6.077469      9.252079
  H      -3.055995     -7.105012      8.195497
  H      -3.467367     -4.752022     11.129232
  H      -5.129156     -5.103022     12.913413
  H      -6.898872     -9.225653     13.057550
  H      -8.623779     -9.541268     14.802802
  H      -9.726956     -7.565599     15.849698
  H      -9.089830     -5.268074     15.116783
  H      -7.382664     -4.954313     13.351520
  H      -6.582989     -8.605233     10.872878
  H      -4.909593     -8.260091      9.092365
  N      -3.197323     -1.857447      4.803814
  H      -3.735667     -1.648078      5.651390
  H      -3.414809     -1.111548      4.133799
  H      -2.209250     -1.741123      5.052526
126
Coordinates from ORCA-job /scratch/magstr/orcajob__5658506-Qzcs/orca E -6458.497731635638
  N      -2.253595     -3.961915      2.548492
  C      -2.184609     -5.150253      1.694697
  C      -2.815450     -6.322236      2.429190
  N      -4.075526     -5.880636      3.092658
  C      -5.186181     -5.670562      2.121770
  C      -6.212407     -4.717512      2.713566
  N      -5.513633     -3.611312      3.373607
  Mo     -3.651227     -3.936855      3.955322
  N      -3.323853     -5.077654      5.531348
  C      -3.555784     -6.516171      5.414389
  C      -4.463460     -6.773153      4.219992
  H      -4.061856     -6.910232      6.311540
  H      -2.604173     -7.072991      5.318228
  H      -5.496532     -6.518081      4.490610
  H      -4.438806     -7.828338      3.900429
  H      -6.856831     -4.355015      1.895636
  H      -6.878449     -5.251810      3.417074
  H      -4.743402     -5.219950      1.223819
  H      -5.637209     -6.636438      1.839534
  H      -1.141290     -5.417024      1.455379
  H      -2.690177     -4.977437      0.724885
  H      -2.140850     -6.663455      3.225786
  H      -3.013465     -7.172081      1.755099
  C      -0.388768     -2.900646      1.246047
  C      -1.737774     -2.715342      1.943751
  C      -2.801535     -2.077226      1.032497
  C      -2.501819     -0.634615      0.595140
  C      -3.742683      0.014895      0.040226
  C      -4.649090      0.663179      0.890933
  C      -5.849602      1.180064      0.410073
  C      -6.192096      1.067511     -0.948691
  C      -7.473545      1.601634     -1.459023
  C      -7.560416      2.177319     -2.738759
  C      -8.770688      2.678437     -3.217160
  C      -9.921348      2.613709     -2.427438
  C      -9.850361      2.043647     -1.153941
  C      -8.639697      1.544089     -0.675218
  C      -5.275655      0.430309     -1.803252
  C      -4.075566     -0.085490     -1.317003
  C      -7.181825     -1.868881      2.709117
  C      -6.376896     -2.509514      3.844524
  C      -7.286129     -2.941437      5.011110
  C      -6.505075     -3.347919      6.268799
  C      -7.206462     -4.326689      7.176178
  C      -7.676325     -5.552638      6.680547
  C      -8.305277     -6.476388      7.509728
  C      -8.485430     -6.218099      8.880451
  C      -9.171010     -7.191094      9.757678
  C      -9.075722     -8.574041      9.520854
  C      -9.722929     -9.489947     10.349489
  C     -10.481145     -9.042802     11.434241
  C     -10.585138     -7.672825     11.681914
  C      -9.937523     -6.758346     10.853577
  C      -7.995639     -5.000315      9.380771
  C      -7.373173     -4.074730      8.543924
  C      -1.208154     -5.047578      6.850956
  C      -2.677917     -4.618747      6.774970
  C      -3.503908     -4.966942      8.042303
  C      -3.098000     -6.217106      8.843014
  C      -4.073817     -6.469934      9.965050
  C      -4.161223     -5.589923     11.054106
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  C      -7.019160     -7.054994     13.072155
  C      -7.393468     -8.340988     13.496707
  C      -8.361641     -8.515320     14.484152
  C      -8.979169     -7.407320     15.068922
  C      -8.618135     -6.122040     14.656908
  C      -7.648454     -5.948709     13.670224
  C      -5.893541     -7.759063     10.941222
  C      -4.953517     -7.558560      9.931888
  H       0.330693     -3.403093      1.907971
  H       0.029178     -1.922599      0.971736
  H      -0.487164     -3.490477      0.323469
  H      -1.565833     -2.013284      2.778963
  H      -3.757923     -2.081667      1.583454
  H      -2.960766     -2.706431      0.141010
  H      -1.694095     -0.619464     -0.151743
  H      -2.144487     -0.060671      1.467740
  H      -4.403010      0.777120      1.950905
  H      -6.523612      1.702937      1.091076
  H      -6.662857      2.256767     -3.354961
  H      -8.813629      3.130360     -4.209657
  H     -10.867971      3.005959     -2.802212
  H     -10.745427      1.981078     -0.532427
  H      -8.600824      1.079122      0.311993
  H      -5.519092      0.317828     -2.861263
  H      -3.387167     -0.585056     -2.003417
  H      -7.986205     -2.529270      2.354623
  H      -6.534415     -1.615734      1.857837
  H      -7.653688     -0.942889      3.066912
  H      -5.694828     -1.731924      4.230194
  H      -7.924527     -3.772794      4.675441
  H      -7.974566     -2.115252      5.248195
  H      -6.229353     -2.449963      6.845026
  H      -5.553944     -3.816734      5.947814
  H      -7.566290     -5.785060      5.618068
  H      -8.688648     -7.404989      7.083238
  H      -8.464341     -8.937273      8.692576
  H      -9.626782    -10.559326     10.152707
  H     -10.982444     -9.758808     12.087216
  H     -11.169539     -7.312971     12.529754
  H     -10.041216     -5.689962     11.048799
  H      -8.082277     -4.785464     10.446869
  H      -6.998679     -3.138529      8.965747
  H      -0.665769     -4.694248      5.962200
  H      -0.725615     -4.624413      7.743873
  H      -1.102584     -6.139679      6.903914
  H      -2.685289     -3.518556      6.710216
  H      -3.453423     -4.106184      8.727758
  H      -4.562916     -5.051933      7.754386
  H      -2.084964     -6.077241      9.252840
  H      -3.053968     -7.105947      8.196424
  H      -3.471119     -4.744784     11.122944
  H      -5.136138     -5.090772     12.904816
  H      -6.905887     -9.213434     13.058462
  H      -8.633462     -9.523488     14.801959
  H      -9.737810     -7.544614     15.841368
  H      -9.099800     -5.249380     15.101948
  H      -7.389888     -4.941139     13.338449
  H      -6.584697     -8.599945     10.872477
  H      -4.907834     -8.259813      9.094313
  N      -3.193600     -1.861096      4.801765
  H      -3.732450     -1.652815      5.649294
  H      -3.411710     -1.114962      4.132201
  H      -2.205763     -1.743649      5.050900
126
Coordinates from ORCA-job /scratch/magstr/orcajob__5658506-Qzcs/orca E -6458.497735717770
  N      -2.245577     -3.963777      2.542170
  C      -2.172926     -5.151264      1.687411
  C      -2.798524     -6.326291      2.421882
  N      -4.059901     -5.890077      3.086477
  C      -5.172270     -5.684591      2.116506
  C      -6.201821     -4.735862      2.709483
  N      -5.506756     -3.626495      3.367821
  Mo     -3.642720     -3.945058      3.949067
  N      -3.308779     -5.084467      5.524904
  C      -3.535861     -6.523855      5.407792
  C      -4.443272     -6.784455      4.213881
  H      -4.039982     -6.919686      6.305201
  H      -2.582366     -7.077289      5.311165
  H      -5.477211     -6.533825      4.485226
  H      -4.414328     -7.839459      3.894129
  H      -6.849520     -4.376854      1.892593
  H      -6.864363     -5.272799      3.414331
  H      -4.732239     -5.231880      1.218278
  H      -5.619572     -6.652257      1.834496
  H      -1.128908     -5.414016      1.446808
  H      -2.680293     -4.979876      0.718265
  H      -2.121861     -6.664992      3.217805
  H      -2.993419     -7.176639      1.747528
  C      -0.386085     -2.895823      1.237535
  C      -1.733455     -2.714513      1.939273
  C      -2.800556     -2.075498      1.032421
  C      -2.504022     -0.631059      0.599037
  C      -3.747234      0.019045      0.050205
  C      -4.648398      0.669378      0.904850
  C      -5.850961      1.186862      0.429709
  C      -6.200959      1.072625     -0.926954
  C      -7.484516      1.607426     -1.431207
  C      -7.577294      2.181374     -2.711323
  C      -8.789429      2.683061     -3.184338
  C      -9.936159      2.620622     -2.388736
  C      -9.859302      2.052220     -1.114830
  C      -8.646749      1.552094     -0.641501
  C      -5.289722      0.433351     -1.785579
  C      -4.087508     -0.082811     -1.305128
  C      -7.179314     -1.888571      2.702355
  C      -6.373099     -2.526783      3.838128
  C      -7.281479     -2.960376      5.004611
  C      -6.499045     -3.366120      6.261605
  C      -7.203053     -4.339965      7.171938
  C      -7.666676     -5.570150      6.680699
  C      -8.299994     -6.489835      7.510891
  C      -8.490755     -6.223118      8.878605
  C      -9.179921     -7.192341      9.757282
  C      -9.080363     -8.576453      9.529021
  C      -9.730925     -9.488937     10.358748
  C     -10.496724     -9.037145     11.436189
  C     -10.604959     -7.666002     11.675458
  C      -9.954092     -6.754907     10.845947
  C      -8.007350     -5.001024      9.374648
  C      -7.380655     -4.079328      8.536577
  C      -1.195984     -5.057258      6.849651
  C      -2.664515     -4.624859      6.769093
  C      -3.494476     -4.967893      8.035558
  C      -3.093417     -6.216628      8.840953
  C      -4.072357     -6.464226      9.961462
  C      -4.163571     -5.578557     11.045636
  C      -5.111022     -5.763810     12.048480
  C      -6.003390     -6.850095     12.011890
  C      -7.028160     -7.032535     13.061981
  C      -7.407237     -8.315997     13.490073
  C      -8.379235     -8.484194     14.474816
  C      -8.995955     -7.372465     15.053389
  C      -8.630367     -6.089704     14.637635
  C      -7.657071     -5.922514     13.653496
  C      -5.894437     -7.749036     10.939204
  C      -4.951266     -7.553631      9.931787
  H       0.336273     -3.397578      1.896795
  H       0.028657     -1.916392      0.963352
  H      -0.486002     -3.484721      0.314549
  H      -1.560550     -2.014475      2.776016
  H      -3.755731     -2.083731      1.585499
  H      -2.960704     -2.702257      0.139370
  H      -1.698613     -0.612699     -0.150271
  H      -2.144524     -0.059562      1.472349
  H      -4.396301      0.784571      1.963272
  H      -6.520680      1.711409      1.113631
  H      -6.682808      2.258918     -3.332206
  H      -8.836963      3.133664     -4.177219
  H     -10.884265      3.013319     -2.759245
  H     -10.751320      1.991361     -0.488787
  H      -8.603523      1.088463      0.346155
  H      -5.538873      0.319797     -2.842141
  H      -3.403271     -0.583854     -1.994607
  H      -7.979424     -2.552619      2.345057
  H      -6.531786     -1.630126      1.852812
  H      -7.656934     -0.965962      3.061236
  H      -5.693019     -1.747383      4.223645
  H      -7.918127     -3.793392      4.669541
  H      -7.971603     -2.135834      5.242458
  H      -6.218357     -2.467653      6.834734
  H      -5.550603     -3.838949      5.938956
  H      -7.547901     -5.808747      5.620487
  H      -8.678184     -7.422040      7.087674
  H      -8.462873     -8.942864      8.706742
  H      -9.631619    -10.559243     10.168724
  H     -11.000690     -9.750444     12.090066
  H     -11.195213     -7.302675     12.517748
  H     -10.061328     -5.685598     11.034078
  H      -8.102299     -4.779830     10.438728
  H      -7.011224     -3.139622      8.955038
  H      -0.651356     -4.709387      5.960128
  H      -0.714356     -4.630180      7.741204
  H      -1.092590     -6.149213      6.908682
  H      -2.667940     -3.524841      6.701855
  H      -3.443431     -4.105318      8.718661
  H      -4.552925     -5.051527      7.745336
  H      -2.081129     -6.077786      9.253058
  H      -3.049534     -7.107532      8.197247
  H      -3.474458     -4.732412     11.111898
  H      -5.144351     -5.069610     12.890315
  H      -6.920318     -9.191388     13.056968
  H      -8.654663     -9.490490     14.795423
  H      -9.757208     -7.505106     15.824158
  H      -9.111580     -5.214224     15.077595
  H      -7.395132     -4.916806     13.318729
  H      -6.585411     -8.590226     10.872344
  H      -4.902940     -8.259138      9.097949
  N      -3.192876     -1.868480      4.798040
  H      -3.732467     -1.663087      5.645813
  H      -3.413667     -1.122242      4.129450
  H      -2.205498     -1.747549      5.047341
126
Coordinates from ORCA-job /scratch/magstr/orcajob__5658506-Qzcs/orca E -6458.497737260533
  N      -2.242529     -3.965168      2.540879
  C      -2.169887     -5.152519      1.685892
  C      -2.795253     -6.327755      2.420238
  N      -4.056769     -5.891840      3.084837
  C      -5.169349     -5.686813      2.114936
  C      -6.198845     -4.737873      2.707740
  N      -5.503591     -3.628253      3.365286
  Mo     -3.639764     -3.946870      3.947459
  N      -3.305364     -5.086063      5.523475
  C      -3.532602     -6.525478      5.406260
  C      -4.439926     -6.786200      4.212330
  H      -4.036838     -6.921259      6.303625
  H      -2.579117     -7.078946      5.309806
  H      -5.473886     -6.535654      4.483654
  H      -4.410854     -7.841222      3.892657
  H      -6.846934     -4.379371      1.890936
  H      -6.861177     -5.274553      3.413010
  H      -4.729509     -5.234388      1.216485
  H      -5.616603     -6.654628      1.833383
  H      -1.125928     -5.415138      1.444969
  H      -2.677553     -4.981078      0.716908
  H      -2.118472     -6.666292      3.216130
  H      -2.989930     -7.178088      1.745814
  C      -0.384105     -2.896147      1.235141
  C      -1.730949     -2.715654      1.938123
  C      -2.799214     -2.076667      1.032633
  C      -2.504620     -0.631353      0.600983
  C      -3.749036      0.018175      0.054180
  C      -4.651148      0.664541      0.910856
  C      -5.854718      1.181269      0.437448
  C      -6.204711      1.070433     -0.919509
  C      -7.489144      1.604738     -1.422078
  C      -7.582862      2.182257     -2.700524
  C      -8.795758      2.683531     -3.172011
  C      -9.942338      2.617093     -2.376519
  C      -9.864552      2.045117     -1.104269
  C      -8.651231      1.545401     -0.632461
  C      -5.292577      0.435125     -1.780112
  C      -4.089444     -0.080460     -1.301349
  C      -7.174157     -1.889169      2.697686
  C      -6.369256     -2.527531      3.834325
  C      -7.278521     -2.959702      5.000647
  C      -6.496660     -3.365316      6.258080
  C      -7.201493     -4.338157      7.168782
  C      -7.663918     -5.569100      6.678271
  C      -8.298044     -6.488096      7.508551
  C      -8.490836     -6.219980      8.875728
  C      -9.180598     -7.188754      9.754427
  C      -9.080125     -8.572986      9.527123
  C      -9.731170     -9.485298     10.356624
  C     -10.498397     -9.033243     11.432947
  C     -10.607531     -7.662003     11.671299
  C      -9.956156     -6.751065     10.842001
  C      -8.008797     -4.997032      9.371020
  C      -7.381280     -4.075998      8.532823
  C      -1.193765     -5.061773      6.850488
  C      -2.661519     -4.626954      6.768020
  C      -3.493443     -4.967691      8.033861
  C      -3.095619     -6.216775      8.840200
  C      -4.075697     -6.462532      9.960156
  C      -4.168622     -5.574858     11.042575
  C      -5.116204     -5.759491     12.045403
  C      -6.007024     -6.847117     12.010636
  C      -7.031492     -7.029245     13.061061
  C      -7.408209     -8.312505     13.491858
  C      -8.379602     -8.480418     14.477257
  C      -8.998003     -7.368591     15.053854
  C      -8.634775     -6.086048     14.635370
  C      -7.662155     -5.919142     13.650514
  C      -5.896576     -7.747819     10.939615
  C      -4.953331     -7.552998      9.932145
  H       0.339121     -3.397612      1.893663
  H       0.029802     -1.916422      0.960773
  H      -0.484547     -3.484909      0.312136
  H      -1.557643     -2.015974      2.775089
  H      -3.754036     -2.086734      1.586292
  H      -2.959297     -2.702553      0.138959
  H      -1.699913     -0.611047     -0.149022
  H      -2.144980     -0.060701      1.474793
  H      -4.399000      0.777122      1.969554
  H      -6.525137      1.702794      1.122997
  H      -6.688538      2.262900     -3.321238
  H      -8.844035      3.136941     -4.163576
  H     -10.891047      3.009471     -2.745817
  H     -10.756441      1.981129     -0.478357
  H      -8.607296      1.078990      0.353849
  H      -5.541711      0.324166     -2.836951
  H      -3.404529     -0.578439     -1.992368
  H      -7.973992     -2.553042      2.339479
  H      -6.525635     -1.630781      1.848856
  H      -7.651996     -0.966507      3.056133
  H      -5.688653     -1.748536      4.219735
  H      -7.915499     -3.792606      4.665881
  H      -7.968200     -2.134616      5.237840
  H      -6.215091     -2.466733      6.830609
  H      -5.548710     -3.839254      5.935634
  H      -7.543572     -5.808723      5.618452
  H      -8.675312     -7.420865      7.085764
  H      -8.461361     -8.939570      8.705891
  H      -9.631213    -10.555673     10.167345
  H     -11.002960     -9.746380     12.086543
  H     -11.199010     -7.298489     12.512654
  H     -10.064277     -5.681693     11.029305
  H      -8.105484     -4.774493     10.434669
  H      -7.012947     -3.135608      8.950714
  H      -0.647895     -4.716238      5.960815
  H      -0.712306     -4.633687      7.741651
  H      -1.091979     -6.153743      6.911679
  H      -2.662652     -3.526980      6.700131
  H      -3.441282     -4.104803      8.716477
  H      -4.551742     -5.049448      7.742547
  H      -2.083336     -6.079879      9.253023
  H      -3.052931     -7.108039      8.196907
  H      -3.480576     -4.727760     11.107697
  H      -5.150641     -5.063804     12.885965
  H      -6.919733     -9.187922     13.060571
  H      -8.653008     -9.486541     14.800105
  H      -9.758488     -7.500895     15.825253
  H      -9.117238     -5.210534     15.073880
  H      -7.401819     -4.913625     13.313936
  H      -6.586255     -8.590173     10.874124
  H      -4.903772     -8.260012      9.099663
  N      -3.189602     -1.870846      4.797591
  H      -3.729424     -1.665717      5.645284
  H      -3.409754     -1.124074      4.129383
  H      -2.202261     -1.750549      5.047337
126
Coordinates from ORCA-job /scratch/magstr/orcajob__5658506-Qzcs/orca E -6458.497739501149
  N      -2.242809     -3.965932      2.540220
  C      -2.169479     -5.153127      1.685099
  C      -2.793548     -6.328966      2.419529
  N      -4.055412     -5.894277      3.084328
  C      -5.168533     -5.690817      2.114658
  C      -6.198526     -4.742291      2.707233
  N      -5.503791     -3.631891      3.363809
  Mo     -3.639941     -3.948792      3.946940
  N      -3.304081     -5.087411      5.523165
  C      -3.530200     -6.527067      5.405885
  C      -4.437502     -6.788646      4.212228
  H      -4.033851     -6.923289      6.303381
  H      -2.576185     -7.079607      5.309333
  H      -5.471607     -6.538736      4.483639
  H      -4.407704     -7.843721      3.892779
  H      -6.847175     -4.384706      1.890466
  H      -6.860312     -5.279069      3.412972
  H      -4.729325     -5.238665      1.215764
  H      -5.614978     -6.659269      1.834045
  H      -1.125381     -5.414818      1.443761
  H      -2.677625     -4.982032      0.716299
  H      -2.116300     -6.666731      3.215352
  H      -2.987581     -7.179517      1.745206
  C      -0.384817     -2.896061      1.234502
  C      -1.731476     -2.716142      1.937988
  C      -2.799934     -2.076657      1.033047
  C      -2.505316     -0.631101      0.602134
  C      -3.749744      0.018865      0.055831
  C      -4.652112      0.664056      0.913135
  C      -5.855589      1.181378      0.440118
  C      -6.205168      1.072362     -0.917098
  C      -7.489476      1.607321     -1.419387
  C      -7.582827      2.186329     -2.697183
  C      -8.795570      2.688263     -3.168366
  C      -9.942322      2.621033     -2.373195
  C      -9.864882      2.047631     -1.101571
  C      -8.651712      1.547239     -0.630052
  C      -5.292818      0.438190     -1.778294
  C      -4.089779     -0.077980     -1.299900
  C      -7.174134     -1.893668      2.693573
  C      -6.369699     -2.530787      3.831273
  C      -7.279352     -2.961880      4.997747
  C      -6.497626     -3.366190      6.255658
  C      -7.202123     -4.338733      7.166991
  C      -7.663976     -5.570198      6.677288
  C      -8.297805     -6.488870      7.508149
  C      -8.490902     -6.219964      8.875142
  C      -9.180474     -7.188576      9.754103
  C      -9.079513     -8.572844      9.527094
  C      -9.730420     -9.485234     10.356589
  C     -10.497994     -9.033269     11.432726
  C     -10.607531     -7.662016     11.670849
  C      -9.956298     -6.751000     10.841492
  C      -8.009508     -4.996436      9.369584
  C      -7.382242     -4.075720      8.530838
  C      -1.192730     -5.062824      6.850761
  C      -2.660386     -4.627750      6.767556
  C      -3.492704     -4.967141      8.033462
  C      -3.096078     -6.216056      8.840475
  C      -4.076279     -6.460846      9.960568
  C      -4.170211     -5.571776     11.041780
  C      -5.117612     -5.756123     12.044849
  C      -6.007196     -6.844829     12.011493
  C      -7.031604     -7.026795     13.062039
  C      -7.407180     -8.309933     13.494144
  C      -8.379037     -8.477718     14.479120
  C      -8.998910     -7.365863     15.054064
  C      -8.636552     -6.083414     14.634499
  C      -7.663526     -5.916628     13.650008
  C      -5.895779     -7.746798     10.941689
  C      -4.952724     -7.552248      9.933969
  H       0.338847     -3.397659      1.892445
  H       0.028790     -1.916076      0.960587
  H      -0.485344     -3.484244      0.311136
  H      -1.557917     -2.016823      2.775202
  H      -3.754700     -2.086943      1.586802
  H      -2.960250     -2.702073      0.139087
  H      -1.700747     -0.610374     -0.148002
  H      -2.145528     -0.060972      1.476225
  H      -4.400267      0.775291      1.972050
  H      -6.526165      1.702022      1.126186
  H      -6.688351      2.267631     -3.317583
  H      -8.843570      3.142812     -4.159424
  H     -10.890912      3.013931     -2.742253
  H     -10.756895      1.983050     -0.475896
  H      -8.608045      1.079750      0.355756
  H      -5.541665      0.328565     -2.835335
  H      -3.404626     -0.574965     -1.991401
  H      -7.973830     -2.557911      2.335755
  H      -6.525162     -1.636212      1.844810
  H      -7.652044     -0.970541      3.050736
  H      -5.689354     -1.751262      4.216085
  H      -7.916013     -3.795215      4.663463
  H      -7.969138     -2.136597      5.233903
  H      -6.216320     -2.467081      6.827455
  H      -5.549720     -3.840459      5.933511
  H      -7.543543     -5.810466      5.617618
  H      -8.674629     -7.422012      7.085793
  H      -8.460333     -8.939506      8.706206
  H      -9.630053    -10.555609     10.167517
  H     -11.002589     -9.746433     12.086268
  H     -11.199278     -7.298531     12.512031
  H     -10.064779     -5.681645     11.028775
  H      -8.106567     -4.772824     10.432990
  H      -7.014445     -3.134849      8.948116
  H      -0.646657     -4.718576      5.960711
  H      -0.711348     -4.633564      7.741405
  H      -1.091089     -6.154719      6.913487
  H      -2.661066     -3.527825      6.698918
  H      -3.440113     -4.103788      8.715469
  H      -4.551002     -5.048270      7.741919
  H      -2.083576     -6.080311      9.253174
  H      -3.054446     -7.107629      8.197515
  H      -3.483136     -4.723820     11.105926
  H      -5.152845     -5.059383     12.884497
  H      -6.917591     -9.185353     13.064143
  H      -8.651631     -9.483775     14.802868
  H      -9.760117     -7.497942     15.824828
  H      -9.120122     -5.207882     15.071755
  H      -7.403919     -4.911220     13.312572
  H      -6.584443     -8.590062     10.877333
  H      -4.902478     -8.260251      9.102367
  N      -3.190702     -1.872877      4.797140
  H      -3.730931     -1.668082      5.644650
  H      -3.410600     -1.126034      4.128943
  H      -2.203441     -1.752788      5.047279
126
Coordinates from ORCA-job /scratch/magstr/orcajob__5658506-Qzcs/orca E -6458.497743333398
  N      -2.244130     -3.965324      2.539451
  C      -2.168859     -5.151476      1.683106
  C      -2.789747     -6.329449      2.416710
  N      -4.052485     -5.898358      3.082274
  C      -5.166811     -5.697890      2.113265
  C      -6.198065     -4.750858      2.705967
  N      -5.504658     -3.639062      3.361249
  Mo     -3.640879     -3.952359      3.946757
  N      -3.301751     -5.091111      5.522367
  C      -3.524896     -6.531235      5.403560
  C      -4.432147     -6.793715      4.210317
  H      -4.027099     -6.929481      6.300975
  H      -2.569542     -7.081323      5.306217
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  H      -5.611283     -6.667655      1.834119
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  C     -10.606348     -7.658780     11.674490
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  H       0.337696     -3.393941      1.892916
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  H      -8.107608     -4.767318     10.431162
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  H      -0.644522     -4.723779      5.961519
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  H      -1.090093     -6.158345      6.916093
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  H      -3.061027     -7.110237      8.195804
  H      -3.486368     -4.722376     11.102594
  H      -5.154737     -5.056560     12.882439
  H      -6.917822     -9.183641     13.067631
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126
Coordinates from ORCA-job /scratch/magstr/orcajob__5658506-Qzcs/orca E -6458.497744735693
  N      -2.245150     -3.964651      2.539359
  C      -2.169540     -5.150335      1.682433
  C      -2.788719     -6.329245      2.415990
  N      -4.051455     -5.899699      3.082513
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  N      -5.504588     -3.641383      3.362108
  Mo     -3.640786     -3.953690      3.947879
  N      -3.300009     -5.092844      5.522878
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  H      -4.023118     -6.932396      6.300816
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  H      -2.980750     -7.179619      1.740883
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  H      -5.536979      0.341936     -2.835431
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  H      -7.650374     -0.979735      3.037180
  H      -5.691501     -1.758164      4.208243
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  H      -7.971264     -2.140591      5.225623
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  H      -5.553409     -3.844605      5.928656
  H      -7.546768     -5.814336      5.618191
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  H      -8.460885     -8.938153      8.712054
  H      -9.629919    -10.551783     10.175594
  H     -11.001312     -9.740123     12.094439
  H     -11.196704     -7.291601     12.517577
  H     -10.062338     -5.676934     11.032645
  H      -8.104692     -4.767238     10.432178
  H      -7.014281     -3.132769      8.943548
  H      -0.642769     -4.724659      5.962482
  H      -0.709155     -4.637428      7.743010
  H      -1.088380     -6.159470      6.916592
  H      -2.657934     -3.532662      6.698039
  H      -3.436416     -4.106923      8.714943
  H      -4.549075     -5.048444      7.740874
  H      -2.084419     -6.089407      9.251408
  H      -3.060554     -7.111851      8.196097
  H      -3.486390     -4.722773     11.102150
  H      -5.155156     -5.056521     12.881694
  H      -6.917024     -9.184042     13.068667
  H      -8.650476     -9.480934     14.808036
  H      -9.759746     -7.493628     15.827552
  H      -9.120108     -5.204763     15.071971
  H      -7.404742     -4.909694     13.311883
  H      -6.584043     -8.592500     10.882051
  H      -4.902967     -8.264698      9.105860
  N      -3.194774     -1.878876      4.800321
  H      -3.736834     -1.676443      5.647207
  H      -3.413788     -1.131108      4.132927
  H      -2.207913     -1.759555      5.052277
126
Coordinates from ORCA-job /scratch/magstr/orcajob__5658506-Qzcs/orca E -6458.497748286400
  N      -2.245563     -3.962678      2.539191
  C      -2.169468     -5.147386      1.681001
  C      -2.785973     -6.327997      2.414169
  N      -4.048637     -5.901009      3.082323
  C      -5.164962     -5.702113      2.115337
  C      -6.196216     -4.756279      2.709935
  N      -5.502560     -3.643758      3.363704
  Mo     -3.638981     -3.955586      3.950028
  N      -3.296397     -5.096397      5.523450
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  C      -4.425049     -6.798504      4.209773
  H      -4.016331     -6.938087      6.299237
  H      -2.559970     -7.084579      5.301996
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  C     -10.498409     -9.023067     11.441601
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  H       0.334539     -3.388312      1.892103
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  H      -8.465940     -8.936736      8.711148
  H      -9.635774    -10.548318     10.176038
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  H      -8.100202     -4.766957     10.432882
  H      -7.009367     -3.133027      8.944045
  H      -0.639318     -4.726708      5.966269
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  H      -1.086102     -6.162931      6.917543
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  H      -3.060976     -7.116809      8.196222
  H      -3.484756     -4.727701     11.102493
  H      -5.154314     -5.059629     12.881690
  H      -6.921310     -9.184880     13.067945
  H      -8.654820     -9.479709     14.807623
  H      -9.761367     -7.491111     15.827545
  H      -9.119157     -5.202968     15.071775
  H      -7.403855     -4.909975     13.311337
  H      -6.587114     -8.593599     10.881454
  H      -4.904794     -8.268106      9.105924
  N      -3.193706     -1.881349      4.804271
  H      -3.737012     -1.679999      5.650609
  H      -3.411678     -1.132800      4.137441
  H      -2.207155     -1.762608      5.057664
126
Coordinates from ORCA-job /scratch/magstr/orcajob__5658506-Qzcs/orca E -6458.497750377798
  N      -2.244149     -3.960833      2.538807
  C      -2.168304     -5.145092      1.679963
  C      -2.783122     -6.326537      2.413315
  N      -4.045325     -5.900822      3.083047
  C      -5.162590     -5.701436      2.117283
  C      -6.193117     -4.755725      2.713354
  N      -5.498508     -3.643329      3.366465
  Mo     -3.635051     -3.956140      3.952113
  N      -3.291778     -5.098525      5.524225
  C      -3.510778     -6.538819      5.401546
  C      -4.420545     -6.799609      4.209813
  H      -4.009903     -6.941441      6.298694
  H      -2.554352     -7.086222      5.299996
  H      -5.454643     -6.553329      4.484978
  H      -4.388781     -7.853794      3.887448
  H      -6.845687     -4.399585      1.899135
  H      -6.850763     -5.293783      3.422012
  H      -4.728468     -5.248741      1.216254
  H      -5.606679     -6.671748      1.839402
  H      -1.123855     -5.400415      1.433337
  H      -2.681395     -4.973717      0.713772
  H      -2.101426     -6.662755      3.205992
  H      -2.974466     -7.176254      1.737134
  C      -0.390841     -2.880908      1.235367
  C      -1.737310     -2.707513      1.940908
  C      -2.808273     -2.067472      1.039510
  C      -2.515174     -0.621566      0.608642
  C      -3.759497      0.026608      0.060040
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  C      -5.868185      1.185392      0.439870
  C      -6.213517      1.078237     -0.918601
  C      -7.496902      1.612383     -1.424064
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  C      -9.948212      2.624297     -2.383896
  C      -9.873815      2.049496     -1.112727
  C      -8.661436      1.550018     -0.638251
  C      -5.297677      0.446711     -1.778021
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  C      -7.275581     -2.962371      4.994116
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  C      -9.741545     -9.472109     10.363053
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  C     -10.608037     -7.644250     11.677715
  C      -9.954361     -6.736710     10.846469
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  C      -4.077229     -6.470982      9.960224
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  C      -5.118232     -5.762613     12.043353
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  H     -10.767525      1.983054     -0.489668
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  H      -9.646055    -10.542989     10.174310
  H     -11.011196     -9.726592     12.095616
  H     -11.196461     -7.277318     12.519719
  H     -10.057554     -5.666873     11.033816
  H      -8.097158     -4.766316     10.433936
  H      -7.003545     -3.132767      8.946197
  H      -0.634998     -4.726731      5.970697
  H      -0.706190     -4.645733      7.751405
  H      -1.082764     -6.164840      6.918564
  H      -2.654112     -3.538850      6.702095
  H      -3.433213     -4.115968      8.717710
  H      -4.545314     -5.055457      7.741024
  H      -2.082610     -6.098407      9.253346
  H      -3.057887     -7.120631      8.196894
  H      -3.481164     -4.734341     11.104842
  H      -5.152526     -5.065413     12.882658
  H      -6.927036     -9.187439     13.062696
  H      -8.661363     -9.481296     14.801802
  H      -9.764421     -7.492253     15.824023
  H      -9.118555     -5.204106     15.070672
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  H      -6.590824     -8.593930     10.876841
  H      -4.906485     -8.269533      9.102973
  N      -3.189405     -1.882027      4.807282
  H      -3.733271     -1.680960      5.653334
  H      -3.406712     -1.133007      4.140768
  H      -2.203013     -1.763542      5.061427
126
Coordinates from ORCA-job /scratch/magstr/orcajob__5658506-Qzcs/orca E -6458.497751976385
  N      -2.242606     -3.960091      2.538140
  C      -2.167320     -5.144363      1.679249
  C      -2.781473     -6.325836      2.413147
  N      -4.043158     -5.900277      3.083919
  C      -5.160939     -5.699948      2.118948
  C      -6.190561     -4.753924      2.716067
  N      -5.494915     -3.641764      3.368578
  Mo     -3.631529     -3.956142      3.953266
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  C      -3.507496     -6.539702      5.401648
  C      -4.417934     -6.799836      4.210167
  H      -4.006233     -6.942766      6.298791
  H      -2.551234     -7.087231      5.299223
  H      -5.451829     -6.553591      4.486140
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  H      -2.973086     -7.175589      1.737078
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  C      -9.953359      2.619211     -2.380930
  C      -9.876923      2.047626     -1.108424
  C      -8.663858      1.549090     -0.634742
  C      -5.302364      0.441844     -1.777354
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  C      -7.271723     -2.958612      4.995608
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  C      -7.665576     -5.563986      6.676615
  C      -8.301951     -6.480164      7.508296
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  C      -9.184548     -7.176392      9.755386
  C      -9.091112     -8.561104      9.528413
  C      -9.745503     -9.469974     10.359134
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  C     -10.611427     -7.642083     11.674188
  C      -9.956785     -6.734607     10.843661
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  H     -10.901873      3.010635     -2.751750
  H     -10.769614      1.982971     -0.483724
  H      -8.620923      1.082948      0.351737
  H      -5.549701      0.330874     -2.834615
  H      -3.412766     -0.569419     -1.986930
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  H      -6.511986     -1.663524      1.831803
  H      -7.629496     -0.973137      3.032170
  H      -5.678095     -1.755669      4.208783
  H      -7.913755     -3.788525      4.663062
  H      -7.955856     -2.128066      5.229877
  H      -6.202837     -2.467571      6.823198
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  H      -7.546815     -5.805349      5.617022
  H      -8.683101     -7.411722      7.086313
  H      -8.475626     -8.931423      8.706374
  H      -9.650715    -10.540836     10.169936
  H     -11.016084     -9.724393     12.090927
  H     -11.200046     -7.275203     12.516079
  H     -10.059484     -5.664739     11.031076
  H      -8.097238     -4.766430     10.433552
  H      -7.001079     -3.132493      8.947412
  H      -0.632299     -4.726200      5.974494
  H      -0.705691     -4.647244      7.755212
  H      -1.080776     -6.165532      6.920168
  H      -2.652848     -3.539977      6.703820
  H      -3.433833     -4.118066      8.718409
  H      -4.544453     -5.058234      7.740498
  H      -2.082335     -6.098393      9.255420
  H      -3.055247     -7.122453      8.198429
  H      -3.477938     -4.739034     11.107847
  H      -5.150635     -5.069430     12.884700
  H      -6.932459     -9.188298     13.058445
  H      -8.666788     -9.481525     14.797736
  H      -9.765860     -7.492256     15.823183
  H      -9.116876     -5.203982     15.072251
  H      -7.400623     -4.912489     13.312378
  H      -6.595105     -8.592138     10.873093
  H      -4.909600     -8.268265      9.100226
  N      -3.185035     -1.881825      4.808529
  H      -3.729064     -1.680353      5.654392
  H      -3.401898     -1.132718      4.141956
  H      -2.198725     -1.763334      5.063037
126
Coordinates from ORCA-job /scratch/magstr/orcajob__5658506-Qzcs/orca E -6458.497753247986
  N      -2.241359     -3.960229      2.537306
  C      -2.166900     -5.144848      1.678807
  C      -2.780922     -6.325848      2.413587
  N      -4.042028     -5.899721      3.085147
  C      -5.160236     -5.698569      2.120803
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  N      -5.492304     -3.639977      3.370379
  Mo     -3.628762     -3.955763      3.953751
  N      -3.286471     -5.099244      5.525313
  C      -3.505618     -6.539411      5.402518
  C      -4.416555     -6.799454      4.211334
  H      -4.004079     -6.942230      6.299916
  H      -2.549557     -7.087236      5.299724
  H      -5.450298     -6.553110      4.487774
  H      -4.385246     -7.853328      3.887998
  H      -6.842854     -4.395585      1.905631
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  H      -5.605924     -6.668115      1.842804
  H      -1.122897     -5.400676      1.430873
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  H      -2.973138     -7.175874      1.738040
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  H     -10.770618      1.983312     -0.477251
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  H      -5.555461      0.323606     -2.833025
  H      -3.417527     -0.575711     -1.986907
  H      -7.964278     -2.562536      2.338343
  H      -6.507714     -1.661159      1.833152
  H      -7.624859     -0.969844      3.033345
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  H      -7.912065     -3.784245      4.664284
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  H      -7.545553     -5.802663      5.616723
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  H      -9.653267    -10.539202     10.166368
  H     -11.020609     -9.723398     12.086125
  H     -11.204947     -7.274432     12.512077
  H     -10.062782     -5.663288     11.028634
  H      -8.098727     -4.765549     10.433317
  H      -7.000337     -3.131513      8.948424
  H      -0.630542     -4.725130      5.976630
  H      -0.704974     -4.646338      7.757296
  H      -1.079022     -6.164758      6.921920
  H      -2.651632     -3.539622      6.704835
  H      -3.434791     -4.117985      8.718599
  H      -4.543591     -5.059631      7.739915
  H      -2.081708     -6.096095      9.257540
  H      -3.052087     -7.122069      8.199966
  H      -3.475859     -4.741283     11.110628
  H      -5.149767     -5.072157     12.886392
  H      -6.935196     -9.189520     13.054304
  H      -8.669991     -9.483471     14.793062
  H      -9.767475     -7.494722     15.820818
  H      -9.116869     -5.205941     15.072571
  H      -7.399988     -4.913666     13.313335
  H      -6.597030     -8.590754     10.869511
  H      -4.910715     -8.266040      9.097598
  N      -3.180998     -1.881106      4.808142
  H      -3.724494     -1.678791      5.654158
  H      -3.397965     -1.132276      4.141270
  H      -2.194571     -1.762487      5.062198
126
Coordinates from ORCA-job /scratch/magstr/orcajob__5658506-Qzcs/orca E -6458.497754217258
  N      -2.241163     -3.960969      2.536448
  C      -2.167564     -5.145998      1.678473
  C      -2.781538     -6.326400      2.414227
  N      -4.042081     -5.899496      3.086417
  C      -5.160655     -5.697804      2.122563
  C      -6.188506     -4.750648      2.720805
  N      -5.491136     -3.638666      3.371757
  Mo     -3.627326     -3.955457      3.953977
  N      -3.285705     -5.098599      5.525967
  C      -3.505178     -6.538786      5.403715
  C      -4.416425     -6.799064      4.212824
  H      -4.003389     -6.941143      6.301454
  H      -2.549218     -7.086800      5.300862
  H      -5.450091     -6.552620      4.489451
  H      -4.385114     -7.852924      3.889491
  H      -6.842999     -4.394442      1.908169
  H      -6.844826     -5.287694      3.431481
  H      -4.727451     -5.245149      1.221087
  H      -5.606973     -6.667119      1.844801
  H      -1.123792     -5.402385      1.430144
  H      -2.682482     -4.975237      0.713159
  H      -2.098234     -6.661801      3.205890
  H      -2.974476     -7.176793      1.739360
  C      -0.390605     -2.882819      1.227408
  C      -1.735063     -2.708141      1.936433
  C      -2.808659     -2.068582      1.037791
  C      -2.516428     -0.623289      0.604539
  C      -3.762014      0.023988      0.057700
  C      -4.662366      0.674375      0.913125
  C      -5.866629      1.189413      0.439497
  C      -6.219024      1.072728     -0.916337
  C      -7.504204      1.605048     -1.419209
  C      -7.599953      2.176626     -2.700169
  C      -8.813565      2.675854     -3.171998
  C      -9.958846      2.613271     -2.374340
  C      -9.879031      2.047304     -1.099536
  C      -8.664992      1.549631     -0.627383
  C      -5.308563      0.433416     -1.775763
  C      -4.104765     -0.080361     -1.296826
  C      -7.154553     -1.899654      2.686993
  C      -6.354319     -2.531924      3.830438
  C      -7.268009     -2.952834      4.997636
  C      -6.488112     -3.362912      6.254698
  C      -7.196732     -4.332157      7.166246
  C      -7.665054     -5.560747      6.675498
  C      -8.302793     -6.477207      7.505749
  C      -8.493348     -6.208925      8.873186
  C      -9.187212     -7.175229      9.751312
  C      -9.092692     -8.559706      9.523002
  C      -9.747744     -9.469859     10.351743
  C     -10.513167     -9.015331     11.428293
  C     -10.616446     -7.643789     11.667616
  C      -9.961054     -6.735027     10.839077
  C      -8.005105     -4.988582      9.368825
  C      -7.373934     -4.069953      8.530631
  C      -1.180842     -5.071514      6.863816
  C      -2.648625     -4.638675      6.773634
  C      -3.486377     -4.979474      8.035543
  C      -3.092951     -6.228578      8.844006
  C      -4.076415     -6.471263      9.961598
  C      -4.166925     -5.584862     11.045255
  C      -5.116956     -5.766741     12.046299
  C      -6.012630     -6.850297     12.008326
  C      -7.038759     -7.030076     13.057580
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  C      -8.393551     -8.478202     14.470484
  C      -9.007312     -7.364866     15.049105
  C      -8.638450     -6.083073     14.633234
  C      -7.664817     -5.918407     13.648991
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  H       0.335684     -3.386946      1.880525
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  H      -1.559834     -2.011219      2.775266
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  H      -2.156698     -0.051081      1.477274
  H      -4.408471      0.791489      1.970890
  H      -6.535627      1.714320      1.123854
  H      -6.706657      2.254302     -3.322734
  H      -8.863378      3.124613     -4.165607
  H     -10.908123      3.003996     -2.743943
  H     -10.769868      1.986390     -0.471819
  H      -8.619460      1.087883      0.361044
  H      -5.559528      0.317941     -2.831685
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  H      -6.504463     -1.658517      1.834346
  H      -7.622394     -0.967566      3.033997
  H      -5.672182     -1.752200      4.211564
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  H      -7.950329     -2.120974      5.232427
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  H      -5.545765     -3.844286      5.927392
  H      -7.545760     -5.800783      5.615660
  H      -8.684473     -7.408074      7.082739
  H      -8.475404     -8.928571      8.701663
  H      -9.652211    -10.540496     10.161611
  H     -11.020976     -9.726789     12.081209
  H     -11.206616     -7.278339     12.509049
  H     -10.064508     -5.665349     11.027304
  H      -8.099854     -4.766267     10.432719
  H      -7.000758     -3.131618      8.948834
  H      -0.630167     -4.724278      5.977783
  H      -0.704865     -4.644380      7.758364
  H      -1.078317     -6.163518      6.923904
  H      -2.651212     -3.538714      6.705448
  H      -3.436580     -4.116704      8.718578
  H      -4.543511     -5.060169      7.739553
  H      -2.081605     -6.093058      9.259528
  H      -3.050173     -7.120625      8.201793
  H      -3.474881     -4.741219     11.112932
  H      -5.149445     -5.072495     12.888113
  H      -6.936297     -9.189206     13.052863
  H      -8.671410     -9.483785     14.791218
  H      -9.768553     -7.495368     15.819994
  H      -9.117332     -5.206334     15.073221
  H      -7.399997     -4.913381     13.314474
  H      -6.598040     -8.588891     10.868216
  H      -4.911458     -8.263418      9.096709
  N      -3.178250     -1.880532      4.807071
  H      -3.720991     -1.677223      5.653337
  H      -3.395492     -1.132174      4.139750
  H      -2.191630     -1.761856      5.060379
126
Coordinates from ORCA-job /scratch/magstr/orcajob__5658506-Qzcs/orca E -6458.497754568011
  N      -2.240498     -3.961606      2.535362
  C      -2.167410     -5.146926      1.677750
  C      -2.781229     -6.326961      2.414208
  N      -4.041403     -5.899611      3.086899
  C      -5.160386     -5.697805      2.123488
  C      -6.187799     -4.750466      2.722136
  N      -5.490120     -3.638327      3.372433
  Mo     -3.625910     -3.955339      3.953581
  N      -3.284550     -5.097968      5.526005
  C      -3.503969     -6.538247      5.404194
  C      -4.415393     -6.799000      4.213605
  H      -4.001842     -6.940300      6.302256
  H      -2.547915     -7.086102      5.301367
  H      -5.449086     -6.552740      4.490283
  H      -4.383794     -7.852881      3.890386
  H      -6.842857     -4.394582      1.909799
  H      -6.843739     -5.287426      3.433242
  H      -4.727394     -5.245221      1.221874
  H      -5.606913     -6.667096      1.845990
  H      -1.123773     -5.403580      1.429125
  H      -2.682645     -4.976425      0.712562
  H      -2.097597     -6.662001      3.205746
  H      -2.974711     -7.177643      1.739876
  C      -0.390228     -2.884277      1.225063
  C      -1.734155     -2.709080      1.934943
  C      -2.807981     -2.069188      1.036766
  C      -2.515876     -0.623734      0.603907
  C      -3.761761      0.023594      0.057751
  C      -4.660271      0.676405      0.913261
  C      -5.864962      1.191293      0.440486
  C      -6.219552      1.072022     -0.914535
  C      -7.505208      1.604060     -1.416578
  C      -7.602494      2.173180     -2.698509
  C      -8.816543      2.672080     -3.169573
  C      -9.960698      2.611597     -2.370141
  C      -9.879336      2.048109     -1.094345
  C      -8.664855      1.550761     -0.622944
  C      -5.310874      0.430379     -1.774114
  C      -4.106689     -0.083260     -1.296027
  C      -7.152487     -1.898477      2.687350
  C      -6.353053     -2.531395      3.831034
  C      -7.267382     -2.952175      4.997818
  C      -6.487834     -3.363107      6.254839
  C      -7.196829     -4.332330      7.166103
  C      -7.665425     -5.560784      6.675280
  C      -8.303428     -6.477119      7.505459
  C      -8.494052     -6.208861      8.872918
  C      -9.188198     -7.175156      9.750766
  C      -9.093301     -8.559641      9.522389
  C      -9.748669     -9.469998     10.350619
  C     -10.514815     -9.015703     11.426784
  C     -10.618355     -7.644205     11.666233
  C      -9.962588     -6.735237     10.838198
  C      -8.005707     -4.988593      9.368572
  C      -7.374200     -4.070118      8.530482
  C      -1.180036     -5.070385      6.864420
  C      -2.647875     -4.637710      6.773741
  C      -3.486138     -4.978443      8.035315
  C      -3.092113     -6.226722      8.844660
  C      -4.076084     -6.469810      9.961721
  C      -4.167170     -5.583614     11.045509
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  C      -8.394872     -8.478328     14.468202
  C      -9.009075     -7.365224     15.046788
  C      -8.640265     -6.083284     14.631326
  C      -7.666239     -5.918215     13.647519
  C      -5.904860     -7.748514     10.934829
  C      -4.958685     -7.556064      9.929633
  H       0.336640     -3.388014      1.877833
  H       0.021273     -1.902633      0.953986
  H      -0.493725     -3.468421      0.299447
  H      -1.558177     -2.012103      2.773570
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  H      -2.973301     -2.694391      0.143550
  H      -1.712165     -0.603093     -0.147179
  H      -2.155919     -0.051762      1.476689
  H      -4.404544      0.795611      1.970346
  H      -6.532502      1.718063      1.124835
  H      -6.710045      2.249216     -3.322490
  H      -8.867576      3.118924     -4.163981
  H     -10.910323      3.002046     -2.739143
  H     -10.769295      1.988881     -0.465221
  H      -8.618133      1.090948      0.366328
  H      -5.563564      0.312950     -2.829406
  H      -3.424390     -0.586051     -1.986165
  H      -7.958741     -2.558858      2.337135
  H      -6.501644     -1.656207      1.835598
  H      -7.621105     -0.966917      3.034738
  H      -5.670814     -1.751955      4.212603
  H      -7.911348     -3.780187      4.664228
  H      -7.949293     -2.120003      5.232652
  H      -6.197427     -2.467076      6.826770
  H      -5.545750     -3.844728      5.927240
  H      -7.546155     -5.800697      5.615412
  H      -8.685275     -7.407857      7.082320
  H      -8.475412     -8.928324      8.701421
  H      -9.652861    -10.540606     10.160483
  H     -11.022989     -9.727279     12.079287
  H     -11.209070     -7.278986     12.507385
  H     -10.066171     -5.665595     11.026629
  H      -8.100652     -4.766094     10.432421
  H      -7.000833     -3.131863      8.948696
  H      -0.629418     -4.723783      5.978101
  H      -0.704209     -4.642277      7.758586
  H      -1.077285     -6.162306      6.925500
  H      -2.650324     -3.537760      6.705320
  H      -3.437964     -4.115208      8.717882
  H      -4.542966     -5.060456      7.738564
  H      -2.081155     -6.090309      9.260829
  H      -3.048234     -7.119008      8.202827
  H      -3.475208     -4.739942     11.113675
  H      -5.150598     -5.071742     12.888033
  H      -6.936848     -9.188788     13.051100
  H      -8.672658     -9.484031     14.788620
  H      -9.770598     -7.495887     15.817314
  H      -9.119468     -5.206720     15.071319
  H      -7.401424     -4.913068     13.313372
  H      -6.597838     -8.587933     10.866725
  H      -4.910536     -8.261842      9.096019
  N      -3.176176     -1.880268      4.805508
  H      -3.718087     -1.676343      5.652160
  H      -3.394112     -1.132421      4.137836
  H      -2.189329     -1.761354      5.057833
126
Coordinates from ORCA-job /scratch/magstr/orcajob__5658506-Qzcs/orca E -6458.497755175850
  N      -2.240625     -3.962370      2.534602
  C      -2.167923     -5.147855      1.677240
  C      -2.781376     -6.327708      2.414274
  N      -4.041254     -5.900106      3.087335
  C      -5.160534     -5.698526      2.124209
  C      -6.187716     -4.751076      2.722977
  N      -5.489929     -3.638707      3.372685
  Mo     -3.625428     -3.955543      3.953447
  N      -3.284201     -5.097603      5.526289
  C      -3.503369     -6.537990      5.404751
  C      -4.414916     -6.799199      4.214418
  H      -4.000957     -6.939907      6.303033
  H      -2.547165     -7.085582      5.301954
  H      -5.448641     -6.553098      4.491106
  H      -4.383103     -7.853154      3.891452
  H      -6.843151     -4.395537      1.910780
  H      -6.843374     -5.287931      3.434431
  H      -4.727743     -5.246166      1.222383
  H      -5.607099     -6.667915      1.847115
  H      -1.124386     -5.404537      1.428221
  H      -2.683556     -4.977570      0.712221
  H      -2.097440     -6.662513      3.205653
  H      -2.975245     -7.178584      1.740300
  C      -0.390492     -2.885800      1.223441
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  C      -2.807868     -2.069782      1.036086
  C      -2.515609     -0.624224      0.603610
  C      -3.761516      0.023440      0.057893
  C      -4.658825      0.677784      0.913479
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  C      -6.219435      1.072482     -0.913358
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  C      -7.603189      2.172610     -2.697350
  C      -8.817342      2.671714     -3.167940
  C      -9.960868      2.612719     -2.367499
  C      -9.878786      2.050538     -1.091178
  C      -8.664202      1.552983     -0.620249
  C      -5.311948      0.429304     -1.773051
  C      -4.107686     -0.084636     -1.295473
  C      -7.151414     -1.898474      2.686509
  C      -6.352826     -2.531552      3.830696
  C      -7.267872     -2.952068      4.997017
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  C      -7.197711     -4.332768      7.165113
  C      -7.666410     -5.561106      6.674112
  C      -8.303985     -6.477744      7.504307
  C      -8.494123     -6.209924      8.871928
  C      -9.187694     -7.176626      9.749759
  C      -9.092440     -8.561047      9.521037
  C      -9.747241     -9.471791     10.349276
  C     -10.513186     -9.017976     11.425816
  C     -10.617011     -7.646575     11.665617
  C      -9.961801     -6.737218     10.837557
  C      -8.005833     -4.989715      9.367697
  C      -7.374706     -4.070956      8.529629
  C      -1.179891     -5.069838      6.865028
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  C      -3.486319     -4.977614      8.035434
  C      -3.092167     -6.225407      8.845371
  C      -4.076364     -6.468409      9.962294
  C      -4.168177     -5.581687     11.045581
  C      -5.118794     -5.763846     12.046021
  C      -6.013724     -6.848013     12.007658
  C      -7.040524     -7.028281     13.056266
  C      -7.422134     -8.310885     13.484587
  C      -8.395241     -8.476953     14.468623
  C      -9.010342     -7.363909     15.046323
  C      -8.642171     -6.081971     14.630274
  C      -7.667874     -5.916845     13.646743
  C      -5.904741     -7.747552     10.935567
  C      -4.958378     -7.555136      9.930512
  H       0.336790     -3.389368      1.875884
  H       0.020991     -1.904282      0.951840
  H      -0.494557     -3.470164      0.298028
  H      -1.557353     -2.013114      2.772397
  H      -3.759311     -2.080407      1.595450
  H      -2.973438     -2.694702      0.142718
  H      -1.712037     -0.603431     -0.147626
  H      -2.155450     -0.052569      1.476510
  H      -4.402097      0.797984      1.970210
  H      -6.530191      1.720896      1.125604
  H      -6.711198      2.247484     -3.322124
  H      -8.868931      3.117541     -4.162777
  H     -10.910580      3.003318     -2.736130
  H     -10.768245      1.992497     -0.461238
  H      -8.616926      1.094199      0.369473
  H      -5.565647      0.310902     -2.827993
  H      -3.426331     -0.588640     -1.985664
  H      -7.957019     -2.559049      2.335180
  H      -6.499775     -1.655531      1.835563
  H      -7.620786     -0.967261      3.033821
  H      -5.670627     -1.752234      4.212611
  H      -7.911928     -3.779871      4.663090
  H      -7.949576     -2.119632      5.231486
  H      -6.198802     -2.467248      6.826473
  H      -5.546552     -3.844548      5.926697
  H      -7.547502     -5.800753      5.614143
  H      -8.685808     -7.408399      7.080964
  H      -8.474772     -8.929416      8.699760
  H      -9.651150    -10.542331     10.158894
  H     -11.020906     -9.729830     12.078368
  H     -11.207483     -7.281708     12.507092
  H     -10.065531     -5.667672     11.026447
  H      -8.100399     -4.767312     10.431600
  H      -7.001268     -3.132786      8.947972
  H      -0.629280     -4.723889      5.978446
  H      -0.704041     -4.641065      7.758862
  H      -1.077150     -6.161711      6.926911
  H      -2.649984     -3.537160      6.705372
  H      -3.439102     -4.114025      8.717621
  H      -4.542972     -5.060277      7.738197
  H      -2.081315     -6.088818      9.261738
  H      -3.048026     -7.117892      8.203815
  H      -3.476693     -4.737606     11.113506
  H      -5.152346     -5.069412     12.887636
  H      -6.936274     -9.187319     13.052433
  H      -8.672502     -9.482656     14.789501
  H      -9.772127     -7.494450     15.816621
  H      -9.122036     -5.205449     15.069626
  H      -7.403611     -4.911721     13.312093
  H      -6.597327     -8.587313     10.867672
  H      -4.909653     -8.261341      9.097294
  N      -3.175274     -1.880455      4.804540
  H      -3.716702     -1.676079      5.651387
  H      -3.393539     -1.132972      4.136568
  H      -2.188270     -1.761560      5.056254
126
Coordinates from ORCA-job /scratch/magstr/orcajob__5658506-Qzcs/orca E -6458.497755091566
  N      -2.239410     -3.962412      2.533891
  C      -2.166558     -5.147889      1.676509
  C      -2.779876     -6.327811      2.413547
  N      -4.039785     -5.900355      3.086659
  C      -5.159208     -5.699009      2.123645
  C      -6.186564     -4.751852      2.722597
  N      -5.489011     -3.639303      3.372241
  Mo     -3.624312     -3.955630      3.952727
  N      -3.283017     -5.097482      5.525655
  C      -3.501747     -6.537955      5.404070
  C      -4.413248     -6.799442      4.213809
  H      -3.999168     -6.940021      6.302376
  H      -2.545356     -7.085202      5.301270
  H      -5.447057     -6.553635      4.490439
  H      -4.381171     -7.853428      3.890953
  H      -6.842218     -4.396454      1.910513
  H      -6.841974     -5.288920      3.434114
  H      -4.726625     -5.246541      1.221778
  H      -5.605549     -6.668514      1.846584
  H      -1.122985     -5.404395      1.427460
  H      -2.682219     -4.977670      0.711492
  H      -2.095877     -6.662594      3.204880
  H      -2.973730     -7.178690      1.739566
  C      -0.389602     -2.885505      1.222474
  C      -1.732972     -2.710070      1.933334
  C      -2.806989     -2.069613      1.035778
  C      -2.515137     -0.623814      0.603778
  C      -3.761388      0.023697      0.058685
  C      -4.657439      0.679594      0.914379
  C      -5.862603      1.194541      0.442807
  C      -6.220116      1.072180     -0.911146
  C      -7.506288      1.604148     -1.411963
  C      -7.605594      2.170244     -2.695071
  C      -8.820152      2.669009     -3.164975
  C      -9.962790      2.611404     -2.363166
  C      -9.879406      2.050960     -1.086166
  C      -8.664418      1.553744     -0.615928
  C      -5.313855      0.427468     -1.770998
  C      -4.109204     -0.086194     -1.294130
  C      -7.150323     -1.898867      2.686235
  C      -6.352063     -2.532317      3.830427
  C      -7.267322     -2.953230      4.996478
  C      -6.488267     -3.364761      6.253551
  C      -7.197637     -4.333899      7.164610
  C      -7.666670     -5.562221      6.673906
  C      -8.304577     -6.478438      7.504326
  C      -8.494766     -6.210171      8.871839
  C      -9.188677     -7.176386      9.749957
  C      -9.093822     -8.560931      9.521903
  C      -9.749075     -9.471060     10.350469
  C     -10.515087     -9.016491     11.426643
  C     -10.618526     -7.644953     11.665764
  C      -9.962861     -6.736207     10.837387
  C      -8.006134     -4.989998      9.367326
  C      -7.374645     -4.071663      8.529042
  C      -1.179180     -5.069684      6.865115
  C      -2.646913     -4.636874      6.773550
  C      -3.486010     -4.977374      8.034730
  C      -3.092030     -6.225006      8.844977
  C      -4.076583     -6.467874      9.961651
  C      -4.168986     -5.580774     11.044560
  C      -5.119871     -5.762804     12.044766
  C      -6.014560     -6.847157     12.006501
  C      -7.041644     -7.027281     13.054856
  C      -7.423262     -8.309806     13.483382
  C      -8.396560     -8.475738     14.467257
  C      -9.011856     -7.362627     15.044577
  C      -8.643728     -6.080747     14.628298
  C      -7.669242     -5.915759     13.644942
  C      -5.905017     -7.747068     10.934756
  C      -4.958322     -7.554839      9.929971
  H       0.338034     -3.388938      1.874627
  H       0.021623     -1.903888      0.950814
  H      -0.493793     -3.469825      0.297046
  H      -1.556077     -2.013156      2.771829
  H      -3.758428     -2.080544      1.595161
  H      -2.972519     -2.694258      0.142210
  H      -1.711766     -0.602536     -0.147665
  H      -2.154904     -0.052416      1.476807
  H      -4.399428      0.801277      1.970627
  H      -6.528212      1.723633      1.127244
  H      -6.714287      2.244021     -3.320952
  H      -8.872743      3.113478     -4.160366
  H     -10.912819      3.001735     -2.731262
  H     -10.768156      1.994008     -0.455127
  H      -8.616140      1.096312      0.374372
  H      -5.568848      0.307669     -2.825471
  H      -3.428851     -0.591424     -1.984412
  H      -7.955350     -2.559617      2.333925
  H      -6.498288     -1.654925      1.835876
  H      -7.620429     -0.968172      3.033946
  H      -5.669976     -1.753129      4.212823
  H      -7.911445     -3.780834      4.662189
  H      -7.948949     -2.120779      5.231130
  H      -6.197855     -2.468954      6.825801
  H      -5.546370     -3.846614      5.925927
  H      -7.547675     -5.802300      5.614043
  H      -8.686557     -7.409126      7.081188
  H      -8.476244     -8.929927      8.700836
  H      -9.653280    -10.541717     10.160605
  H     -11.023110     -9.727870     12.079477
  H     -11.209018     -7.279450     12.506946
  H     -10.066305     -5.666552     11.025793
  H      -8.100592     -4.767212     10.431154
  H      -7.000909     -3.133523      8.947185
  H      -0.628284     -4.724005      5.978601
  H      -0.703532     -4.640752      7.758980
  H      -1.076522     -6.161548      6.927288
  H      -2.649189     -3.536951      6.704867
  H      -3.439392     -4.113654      8.716788
  H      -4.542522     -5.060293      7.737044
  H      -2.081287     -6.088424      9.261614
  H      -3.047729     -7.117564      8.203535
  H      -3.477749     -4.736486     11.112429
  H      -5.153852     -5.068103     12.886144
  H      -6.937248     -9.186306     13.051532
  H      -8.673814     -9.481401     14.788265
  H      -9.773738     -7.492965     15.814816
  H      -9.123736     -5.204157     15.067355
  H      -7.405069     -4.910682     13.310075
  H      -6.597483     -8.586936     10.866887
  H      -4.909113     -8.261389      9.097073
  N      -3.174561     -1.880570      4.803686
  H      -3.715801     -1.676287      5.650669
  H      -3.393275     -1.133273      4.135657
  H      -2.187501     -1.761435      5.055045
