107
Coordinates from ORCA-job /scratch/magstr/orcajob__5661750-81eQ/orca E -5767.838695561086
  N      -3.641268     -3.721590      1.936623
  C      -3.518814     -4.834144      1.035510
  C      -2.850487     -6.035971      1.724410
  N      -3.561339     -6.305067      2.966593
  C      -4.813360     -7.016479      2.713170
  C      -5.818192     -6.626234      3.796479
  N      -5.876784     -5.188396      3.869975
  Mo     -4.051437     -4.374478      3.878446
  N      -2.948403     -5.191099      5.396410
  C      -1.975585     -6.071637      4.813550
  C      -2.726490     -7.050962      3.905540
  H      -1.406288     -6.655539      5.544044
  H      -1.227668     -5.519358      4.212452
  H      -3.377061     -7.646828      4.549762
  H      -2.039584     -7.727804      3.377034
  H      -6.777938     -7.100579      3.575958
  H      -5.462848     -7.041409      4.758427
  H      -5.211270     -6.686683      1.753568
  H      -4.652008     -8.103585      2.674215
  H      -2.953389     -4.608749      0.127259
  H      -4.525435     -5.133803      0.710875
  H      -1.818952     -5.767622      1.969931
  H      -2.835523     -6.921186      1.068076
  C       1.199419     -1.758661      2.696077
  N      -0.071886     -1.085293      2.885165
  C      -0.980649     -1.789325      3.781395
  C      -1.705671     -2.959391      3.113541
  C      -2.624420     -2.681846      1.887418
  C      -1.732205     -2.579598      0.628476
  C      -2.454401     -2.141121     -0.646328
  C      -3.199275     -0.831323     -0.427042
  C      -4.137387     -0.989184      0.761452
  C      -3.336288     -1.318158      2.016473
  C     -10.431984     -5.877338      6.116795
  N      -9.171078     -6.444995      5.681409
  C      -8.001821     -5.709240      6.141557
  C      -7.728382     -4.414441      5.370189
  C      -7.186629     -4.552208      3.912393
  C      -8.296656     -5.239874      3.083824
  C      -8.022385     -5.298781      1.581171
  C      -7.422167     -3.986054      1.065807
  C      -7.737073     -2.852392      2.029895
  C      -7.010512     -3.113836      3.346268
  C      -3.558965     -0.709695      8.512085
  N      -2.993152     -1.627906      7.535787
  C      -2.222198     -2.713449      8.139180
  C      -1.891374     -3.774856      7.088181
  C      -2.914290     -4.939355      6.824895
  C      -2.467896     -6.170467      7.652322
  C      -2.697407     -6.011377      9.154712
  C      -4.155925     -5.668731      9.495326
  C      -4.996008     -5.563570      8.226975
  C      -4.370378     -4.593425      7.228447
  H       1.729506     -1.953729      3.641614
  H       1.831359     -1.143420      2.058084
  H       1.028970     -2.711213      2.197025
  H       0.104473     -0.154206      3.250699
  H      -0.432702     -2.184111      4.659667
  H      -1.716289     -1.069479      4.149140
  H      -0.962507     -3.704009      2.816648
  H      -2.394399     -3.413561      3.862681
  H      -1.208241     -3.523624      0.452319
  H      -0.976464     -1.829155      0.866576
  H      -1.717987     -2.028079     -1.447365
  H      -3.175940     -2.896453     -0.963049
  H      -3.761219     -0.566410     -1.325714
  H      -2.484728     -0.029408     -0.224280
  H      -4.706859     -0.069795      0.918667
  H      -4.840751     -1.802449      0.572552
  H      -4.017846     -1.361321      2.865639
  H      -2.596097     -0.533620      2.176819
  H     -10.493299     -5.744578      7.208928
  H     -10.568804     -4.904859      5.646749
  H     -11.241496     -6.530529      5.795655
  H      -9.108845     -7.399865      6.020793
  H      -8.108018     -5.443855      7.210741
  H      -7.134284     -6.360710      6.047422
  H      -6.988313     -3.858407      5.950983
  H      -8.643284     -3.820194      5.341936
  H      -8.510364     -6.233924      3.470662
  H      -9.204259     -4.658079      3.249819
  H      -8.969957     -5.502731      1.074719
  H      -7.351465     -6.127552      1.352042
  H      -7.794834     -3.762657      0.063565
  H      -6.335366     -4.068964      1.015513
  H      -8.816404     -2.768448      2.176511
  H      -7.387318     -1.903090      1.618117
  H      -5.931746     -3.018327      3.159879
  H      -7.321767     -2.366530      4.079790
  H      -4.282716     -1.250340      9.122317
  H      -4.075346      0.091059      7.985296
  H      -2.806218     -0.267792      9.178193
  H      -2.375245     -1.108030      6.916232
  H      -2.816602     -3.133861      8.950570
  H      -1.286138     -2.334358      8.583430
  H      -1.756670     -3.257756      6.133697
  H      -0.929738     -4.226374      7.341737
  H      -1.401579     -6.357924      7.506258
  H      -3.008432     -7.046510      7.289419
  H      -2.408145     -6.946774      9.639403
  H      -2.027749     -5.237877      9.533391
  H      -4.582791     -6.428576     10.152737
  H      -4.203628     -4.717927     10.031232
  H      -5.997322     -5.210041      8.482252
  H      -5.107179     -6.549920      7.775363
  H      -4.434240     -3.592007      7.647123
  H      -4.939277     -4.624841      6.293310
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5661750-81eQ/orca E -5767.857203292610
  N      -3.627102     -3.751322      1.914700
  C      -3.492253     -4.867630      0.997841
  C      -2.820746     -6.066307      1.685584
  N      -3.545583     -6.350743      2.938810
  C      -4.814384     -7.070626      2.669321
  C      -5.827632     -6.684559      3.742863
  N      -5.881020     -5.230889      3.824442
  Mo     -4.053630     -4.421699      3.845024
  N      -2.959134     -5.219504      5.375617
  C      -1.967445     -6.111152      4.805213
  C      -2.703793     -7.100369      3.899866
  H      -1.399006     -6.688019      5.551200
  H      -1.211623     -5.564614      4.202955
  H      -3.360745     -7.700039      4.542437
  H      -2.011252     -7.780394      3.372456
  H      -6.793232     -7.156692      3.510527
  H      -5.484544     -7.114649      4.706897
  H      -5.203963     -6.736274      1.701359
  H      -4.648828     -8.161482      2.625381
  H      -2.919846     -4.631199      0.090384
  H      -4.497187     -5.176093      0.656870
  H      -1.788207     -5.793007      1.942125
  H      -2.795390     -6.956789      1.027609
  C       1.256071     -1.772187      2.715475
  N      -0.016695     -1.089772      2.920855
  C      -0.940273     -1.819965      3.790890
  C      -1.668806     -2.973234      3.090457
  C      -2.607084     -2.686308      1.876855
  C      -1.744591     -2.580642      0.596201
  C      -2.495224     -2.115918     -0.659362
  C      -3.223546     -0.793902     -0.403631
  C      -4.138390     -0.949817      0.810760
  C      -3.316633     -1.318086      2.047252
  C     -10.436796     -5.891924      6.218077
  N      -9.190405     -6.487088      5.754044
  C      -7.994847     -5.740974      6.155197
  C      -7.727207     -4.453608      5.355997
  C      -7.201723     -4.572840      3.885191
  C      -8.301479     -5.249526      3.027651
  C      -8.020065     -5.266351      1.519874
  C      -7.422634     -3.932671      1.035266
  C      -7.742951     -2.816966      2.032015
  C      -7.027599     -3.107275      3.354715
  C      -3.616752     -0.708102      8.518334
  N      -3.050157     -1.618380      7.527079
  C      -2.248674     -2.693857      8.120699
  C      -1.908999     -3.758239      7.071073
  C      -2.930927     -4.929333      6.818496
  C      -2.477927     -6.151084      7.658766
  C      -2.688693     -5.964001      9.166165
  C      -4.147663     -5.601191      9.524809
  C      -5.011561     -5.505775      8.266898
  C      -4.389547     -4.556342      7.240086
  H       1.782316     -2.011997      3.661670
  H       1.908080     -1.140345      2.100100
  H       1.084577     -2.712394      2.175714
  H       0.162110     -0.168285      3.319873
  H      -0.401765     -2.243880      4.666702
  H      -1.679354     -1.105557      4.179092
  H      -0.928998     -3.726393      2.781471
  H      -2.353969     -3.435715      3.844872
  H      -1.228780     -3.534295      0.401481
  H      -0.970224     -1.837429      0.828125
  H      -1.774393     -2.003298     -1.483573
  H      -3.237575     -2.865191     -0.971736
  H      -3.805169     -0.504151     -1.291302
  H      -2.487667      0.002283     -0.208091
  H      -4.697694     -0.021086      0.997254
  H      -4.863756     -1.750322      0.618776
  H      -3.982030     -1.372175      2.923334
  H      -2.562840     -0.535874      2.213762
  H     -10.461442     -5.721606      7.314631
  H     -10.589921     -4.924293      5.723029
  H     -11.272632     -6.547986      5.945714
  H      -9.125282     -7.438053      6.118053
  H      -8.064396     -5.452011      7.227006
  H      -7.128165     -6.405978      6.054367
  H      -6.968606     -3.892382      5.923137
  H      -8.643090     -3.843689      5.345715
  H      -8.516972     -6.257176      3.392221
  H      -9.219505     -4.674092      3.207444
  H      -8.969696     -5.465846      1.001119
  H      -7.341146     -6.092909      1.268456
  H      -7.791938     -3.684715      0.030042
  H      -6.329916     -4.018500      0.981333
  H      -8.831440     -2.737641      2.176168
  H      -7.395034     -1.848085      1.644833
  H      -5.943771     -2.985313      3.175704
  H      -7.343384     -2.377414      4.113758
  H      -4.329374     -1.264567      9.142807
  H      -4.160979      0.093060      8.003251
  H      -2.859786     -0.249426      9.185082
  H      -2.451430     -1.088455      6.891549
  H      -2.834387     -3.123643      8.944957
  H      -1.310557     -2.301255      8.565432
  H      -1.780956     -3.243171      6.110071
  H      -0.934530     -4.203731      7.323215
  H      -1.408733     -6.346596      7.497563
  H      -3.028282     -7.038108      7.312095
  H      -2.393618     -6.895942      9.668454
  H      -2.003055     -5.184228      9.525940
  H      -4.573031     -6.348445     10.209247
  H      -4.179677     -4.634483     10.049186
  H      -6.013154     -5.139103      8.532785
  H      -5.140914     -6.505818      7.830154
  H      -4.436040     -3.537273      7.641176
  H      -4.985432     -4.587890      6.316776
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5661750-81eQ/orca E -5767.863729469687
  N      -3.607787     -3.766124      1.924546
  C      -3.468935     -4.883227      0.991619
  C      -2.806994     -6.087468      1.673870
  N      -3.545080     -6.382732      2.934183
  C      -4.829503     -7.101768      2.648317
  C      -5.849961     -6.717398      3.712337
  N      -5.888752     -5.251989      3.806946
  Mo     -4.058727     -4.455536      3.837686
  N      -2.974332     -5.247655      5.372006
  C      -1.975004     -6.159579      4.818024
  C      -2.706229     -7.145844      3.909724
  H      -1.419451     -6.735808      5.577949
  H      -1.204859     -5.624595      4.222545
  H      -3.378358     -7.744869      4.540510
  H      -2.018549     -7.830343      3.378774
  H      -6.821161     -7.176993      3.465111
  H      -5.528032     -7.163812      4.677235
  H      -5.202291     -6.759485      1.673628
  H      -4.662018     -8.193444      2.597929
  H      -2.890191     -4.638195      0.087805
  H      -4.472613     -5.185367      0.634428
  H      -1.773849     -5.823135      1.944553
  H      -2.781213     -6.980926      1.016762
  C       1.307177     -1.800606      2.664799
  N       0.048111     -1.099926      2.908152
  C      -0.868819     -1.838361      3.783729
  C      -1.614328     -2.977173      3.080644
  C      -2.583625     -2.683083      1.893396
  C      -1.763213     -2.570001      0.589191
  C      -2.556502     -2.087875     -0.634993
  C      -3.271438     -0.762467     -0.339198
  C      -4.147673     -0.919399      0.906788
  C      -3.293614     -1.321471      2.111674
  C     -10.417541     -5.973383      6.198107
  N      -9.167653     -6.554129      5.716648
  C      -7.977142     -5.802582      6.134086
  C      -7.728870     -4.497071      5.364075
  C      -7.215598     -4.579132      3.893208
  C      -8.301397     -5.249552      3.018613
  C      -8.008251     -5.235842      1.511713
  C      -7.410712     -3.888326      1.053114
  C      -7.738600     -2.786758      2.069175
  C      -7.041383     -3.097739      3.399235
  C      -3.613795     -0.670480      8.460800
  N      -3.059905     -1.596971      7.476115
  C      -2.250093     -2.662088      8.082105
  C      -1.918763     -3.749749      7.053191
  C      -2.948910     -4.918773      6.818972
  C      -2.513240     -6.131259      7.679714
  C      -2.724773     -5.914254      9.185250
  C      -4.184253     -5.523365      9.533058
  C      -5.045878     -5.437731      8.270037
  C      -4.407203     -4.516242      7.225174
  H       1.847109     -2.078799      3.596537
  H       1.966585     -1.167561      2.052602
  H       1.113794     -2.726793      2.101188
  H       0.245651     -0.188845      3.324666
  H      -0.324555     -2.281079      4.648440
  H      -1.598202     -1.124107      4.196871
  H      -0.888639     -3.741677      2.755467
  H      -2.285513     -3.439965      3.853501
  H      -1.254776     -3.526069      0.373749
  H      -0.972625     -1.832251      0.804453
  H      -1.865847     -1.972784     -1.487695
  H      -3.314270     -2.834479     -0.929911
  H      -3.880131     -0.454258     -1.205888
  H      -2.520306      0.029456     -0.162672
  H      -4.695542      0.012520      1.125533
  H      -4.893301     -1.707771      0.722029
  H      -3.927798     -1.391353      3.015910
  H      -2.531026     -0.542695      2.278874
  H     -10.439333     -5.816790      7.300391
  H     -10.586603     -4.995398      5.720840
  H     -11.256981     -6.628863      5.921744
  H      -9.094076     -7.511833      6.063564
  H      -8.040205     -5.537309      7.214512
  H      -7.101654     -6.459927      6.018006
  H      -6.969575     -3.934717      5.936373
  H      -8.650818     -3.888160      5.374619
  H      -8.515769     -6.266972      3.369445
  H      -9.228654     -4.683829      3.207356
  H      -8.954066     -5.434586      0.979898
  H      -7.322642     -6.057817      1.248275
  H      -7.770800     -3.623139      0.046183
  H      -6.314720     -3.978106      1.000532
  H      -8.832336     -2.710358      2.204712
  H      -7.392310     -1.805943      1.702644
  H      -5.954798     -2.950880      3.234401
  H      -7.362687     -2.387169      4.177212
  H      -4.326189     -1.217780      9.100435
  H      -4.165810      0.128726      7.943727
  H      -2.852595     -0.200495      9.122197
  H      -2.471009     -1.080709      6.818191
  H      -2.832487     -3.074183      8.922223
  H      -1.308063     -2.264472      8.521142
  H      -1.787584     -3.251737      6.081376
  H      -0.941876     -4.195869      7.310140
  H      -1.445211     -6.345009      7.517463
  H      -3.075160     -7.020842      7.345866
  H      -2.439826     -6.839985      9.710405
  H      -2.026797     -5.136145      9.534965
  H      -4.621822     -6.250638     10.235965
  H      -4.204824     -4.543788     10.041109
  H      -6.048108     -5.055922      8.524058
  H      -5.189474     -6.447987      7.850363
  H      -4.440582     -3.482636      7.595540
  H      -5.009116     -4.550424      6.303076
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5661750-81eQ/orca E -5767.868178823954
  N      -3.595771     -3.782501      1.941790
  C      -3.450036     -4.894756      0.999625
  C      -2.796162     -6.102360      1.675846
  N      -3.545662     -6.408690      2.931726
  C      -4.832429     -7.126304      2.627193
  C      -5.863306     -6.748207      3.678639
  N      -5.895604     -5.280536      3.786580
  Mo     -4.068898     -4.494606      3.829581
  N      -2.993788     -5.273689      5.365220
  C      -1.990656     -6.194798      4.828011
  C      -2.714705     -7.178025      3.915612
  H      -1.448756     -6.768922      5.599347
  H      -1.209423     -5.665884      4.242365
  H      -3.399758     -7.777846      4.531618
  H      -2.029324     -7.861928      3.382055
  H      -6.833885     -7.197978      3.413213
  H      -5.563395     -7.206799      4.644252
  H      -5.186063     -6.778330      1.647099
  H      -4.658577     -8.216400      2.572028
  H      -2.865280     -4.641198      0.102271
  H      -4.450476     -5.189767      0.627918
  H      -1.765500     -5.845405      1.962538
  H      -2.767424     -6.995783      1.019385
  C       1.333465     -1.847198      2.613548
  N       0.093048     -1.129704      2.896125
  C      -0.815261     -1.871595      3.779885
  C      -1.581606     -2.996403      3.079990
  C      -2.576943     -2.686953      1.921247
  C      -1.794364     -2.547943      0.599409
  C      -2.627764     -2.047840     -0.589038
  C      -3.337904     -0.730961     -0.248225
  C      -4.177255     -0.906311      1.020504
  C      -3.294497     -1.341663      2.190842
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  N      -9.151136     -6.616766      5.701711
  C      -7.964685     -5.858804      6.120526
  C      -7.729818     -4.543663      5.366510
  C      -7.221488     -4.596512      3.896114
  C      -8.300447     -5.236028      2.994174
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  C      -7.351894     -3.851783      1.069969
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  C      -2.547783     -6.103502      7.692915
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  C      -4.216216     -5.432971      9.525668
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  C      -4.420206     -4.477677      7.194392
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  H       0.314010     -0.230049      3.325386
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  H      -1.530155     -1.156075      4.215950
  H      -0.873103     -3.769656      2.737227
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  H      -1.286985     -3.497207      0.355900
  H      -0.996959     -1.812971      0.803906
  H      -1.968227     -1.917089     -1.463798
  H      -3.390692     -2.794230     -0.872210
  H      -3.970775     -0.405797     -1.090980
  H      -2.581919      0.059665     -0.083421
  H      -4.716926      0.021587      1.273717
  H      -4.934963     -1.684351      0.837830
  H      -3.897698     -1.439091      3.114183
  H      -2.531590     -0.564229      2.365601
  H     -10.417813     -5.888183      7.295264
  H     -10.584859     -5.068606      5.719215
  H     -11.240656     -6.705115      5.923523
  H      -9.068454     -7.574776      6.045425
  H      -8.019876     -5.607782      7.204583
  H      -7.085517     -6.509184      5.994956
  H      -6.973264     -3.981775      5.942917
  H      -8.651665     -3.934033      5.392069
  H      -8.535214     -6.255523      3.324242
  H      -9.225698     -4.664887      3.183176
  H      -8.921285     -5.371285      0.940696
  H      -7.307174     -6.024541      1.224474
  H      -7.687207     -3.560563      0.061775
  H      -6.257417     -3.968383      1.029869
  H      -8.768018     -2.664130      2.214660
  H      -7.303054     -1.780800      1.758775
  H      -5.921983     -2.968582      3.307353
  H      -7.338227     -2.414758      4.230788
  H      -4.318712     -1.177181      9.046651
  H      -4.169364      0.153136      7.873248
  H      -2.844784     -0.161920      9.041334
  H      -2.497158     -1.080247      6.735199
  H      -2.825621     -3.032472      8.883074
  H      -1.307854     -2.231197      8.457228
  H      -1.799107     -3.260381      6.037417
  H      -0.953353     -4.187598      7.276859
  H      -1.483182     -6.334945      7.531923
  H      -3.119678     -6.993841      7.377654
  H      -2.485848     -6.765120      9.742965
  H      -2.052470     -5.074108      9.527615
  H      -4.664276     -6.135512     10.246982
  H      -4.225665     -4.441592     10.011319
  H      -6.073857     -4.968736      8.498203
  H      -5.230085     -6.383305      7.861703
  H      -4.441369     -3.432367      7.531288
  H      -5.023746     -4.519847      6.272726
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5661750-81eQ/orca E -5767.871869272949
  N      -3.578753     -3.792023      1.967837
  C      -3.431856     -4.899576      1.019863
  C      -2.792907     -6.113295      1.691707
  N      -3.555042     -6.422570      2.939525
  C      -4.841777     -7.134861      2.617727
  C      -5.882768     -6.758749      3.655894
  N      -5.906252     -5.292246      3.775602
  Mo     -4.082073     -4.521872      3.827953
  N      -3.014728     -5.288400      5.362671
  C      -2.013196     -6.220635      4.844782
  C      -2.736018     -7.198126      3.929093
  H      -1.489537     -6.795208      5.627746
  H      -1.217642     -5.701538      4.269909
  H      -3.434903     -7.794742      4.531601
  H      -2.055111     -7.884354      3.394220
  H      -6.853474     -7.196463      3.371848
  H      -5.606011     -7.228842      4.622231
  H      -5.176109     -6.783201      1.632763
  H      -4.664861     -8.223893      2.560593
  H      -2.839552     -4.642594      0.128873
  H      -4.430276     -5.182279      0.635001
  H      -1.763993     -5.868810      1.993243
  H      -2.765823     -7.006892      1.036479
  C       1.370991     -1.898190      2.545109
  N       0.151499     -1.165182      2.867189
  C      -0.745025     -1.904551      3.764881
  C      -1.540347     -3.018132      3.080465
  C      -2.560917     -2.692199      1.951851
  C      -1.814713     -2.529404      0.613428
  C      -2.685406     -2.016189     -0.539494
  C      -3.386148     -0.707318     -0.159703
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  C      -3.279308     -1.360666      2.265218
  C     -10.386611     -6.168044      6.139076
  N      -9.119913     -6.703700      5.654059
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  C      -7.743941     -4.595481      5.377158
  C      -7.233683     -4.605615      3.910421
  C      -8.302313     -5.223683      2.985708
  C      -7.965218     -5.151360      1.492118
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  C      -7.647626     -2.733819      2.151798
  C      -7.020868     -3.113317      3.497728
  C      -3.589078     -0.597063      8.304995
  N      -3.058900     -1.558425      7.346746
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  C      -2.983905     -4.887496      6.795851
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  C      -5.100667     -5.290239      8.243151
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  H       0.398727     -0.275970      3.303309
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  H      -1.440439     -1.183558      4.221584
  H      -0.853847     -3.803093      2.721604
  H      -2.170299     -3.474151      3.883431
  H      -1.310158     -3.471296      0.343113
  H      -1.011311     -1.798045      0.804570
  H      -2.057864     -1.872379     -1.434622
  H      -3.452783     -2.762805     -0.807438
  H      -4.041828     -0.368714     -0.978278
  H      -2.625494      0.081022     -0.009462
  H      -4.715725      0.028166      1.412120
  H      -4.957557     -1.663168      0.952008
  H      -3.850800     -1.480574      3.204807
  H      -2.514559     -0.586285      2.443094
  H     -10.417246     -6.021438      7.241877
  H     -10.589521     -5.190805      5.675052
  H     -11.208694     -6.841314      5.855844
  H      -9.018078     -7.663654      5.986105
  H      -8.021445     -5.704901      7.188350
  H      -7.063132     -6.557387      5.967769
  H      -7.002406     -4.030835      5.968387
  H      -8.672923     -3.998635      5.415004
  H      -8.541674     -6.248849      3.293630
  H      -9.231222     -4.659195      3.177866
  H      -8.894813     -5.312808      0.921444
  H      -7.290236     -5.976502      1.214393
  H      -7.638111     -3.488554      0.100318
  H      -6.227693     -3.931171      1.075922
  H      -8.743228     -2.630891      2.249261
  H      -7.269911     -1.747881      1.837300
  H      -5.924213     -2.960691      3.397082
  H      -7.357930     -2.437872      4.298915
  H      -4.305508     -1.115249      8.963894
  H      -4.137889      0.195194      7.775157
  H      -2.822680     -0.116354      8.951393
  H      -2.485382     -1.076380      6.651494
  H      -2.821834     -2.983200      8.838591
  H      -1.300962     -2.202814      8.401076
  H      -1.796872     -3.269305      5.999650
  H      -0.963722     -4.184418      7.252555
  H      -1.525047     -6.323392      7.546055
  H      -3.168478     -6.959519      7.403528
  H      -2.539611     -6.697242      9.767733
  H      -2.082103     -5.020474      9.522757
  H      -4.710549     -6.027529     10.247974
  H      -4.247092     -4.348034      9.982565
  H      -6.097416     -4.879419      8.469462
  H      -5.270995     -6.312481      7.864256
  H      -4.438558     -3.380347      7.475909
  H      -5.033191     -4.479778      6.244226
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5661750-81eQ/orca E -5767.874726422721
  N      -3.559053     -3.800658      1.994940
  C      -3.409373     -4.901770      1.040627
  C      -2.784765     -6.123125      1.709147
  N      -3.560184     -6.434859      2.946896
  C      -4.842965     -7.144944      2.608611
  C      -5.895977     -6.773056      3.635128
  N      -5.915580     -5.308410      3.767880
  Mo     -4.094545     -4.547409      3.828747
  N      -3.029582     -5.300950      5.362576
  C      -2.030719     -6.243716      4.862335
  C      -2.752415     -7.215305      3.940237
  H      -1.526594     -6.821777      5.654789
  H      -1.219993     -5.734670      4.299509
  H      -3.461261     -7.809828      4.532428
  H      -2.073006     -7.902970      3.405860
  H      -6.864068     -7.202852      3.332014
  H      -5.638369     -7.255303      4.600474
  H      -5.162666     -6.791356      1.619913
  H      -4.662947     -8.233272      2.550347
  H      -2.808670     -4.641383      0.156540
  H      -4.405581     -5.174187      0.643307
  H      -1.757675     -5.889111      2.023787
  H      -2.757807     -7.014702      1.051770
  C       1.401046     -1.937824      2.467460
  N       0.202452     -1.192206      2.831374
  C      -0.678407     -1.927815      3.746046
  C      -1.502979     -3.033725      3.082694
  C      -2.548636     -2.694337      1.983432
  C      -1.835431     -2.496580      0.632065
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  C      -3.447928     -0.685424     -0.070364
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  C     -10.384622     -6.264854      6.078086
  N      -9.099364     -6.777294      5.620873
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  C      -7.760622     -4.642379      5.386981
  C      -7.243620     -4.621825      3.923416
  C      -8.307880     -5.213017      2.976567
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  N      -3.026198     -1.541301      7.284163
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  C      -5.128666     -5.219824      8.221378
  C      -4.435942     -4.391689      7.138399
  H       1.983037     -2.302330      3.341226
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  H       0.476028     -0.312744      3.271059
  H      -0.100038     -2.403012      4.570406
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  H      -0.835544     -3.826644      2.706665
  H      -2.109685     -3.486105      3.901733
  H      -1.324414     -3.425242      0.332848
  H      -1.035480     -1.760454      0.815496
  H      -2.145723     -1.813792     -1.398956
  H      -3.506223     -2.733280     -0.743577
  H      -4.127631     -0.341085     -0.865901
  H      -2.692056      0.108759      0.069121
  H      -4.736518      0.017888      1.546640
  H      -4.986979     -1.663205      1.063848
  H      -3.821180     -1.526577      3.289802
  H      -2.518012     -0.601334      2.519471
  H     -10.440607     -6.115523      7.178850
  H     -10.595408     -5.293573      5.606617
  H     -11.187915     -6.953274      5.780435
  H      -8.986349     -7.735281      5.954496
  H      -8.043040     -5.775532      7.182720
  H      -7.053390     -6.595794      5.968561
  H      -7.035199     -4.072533      5.992229
  H      -8.696538     -4.057937      5.426729
  H      -8.558980     -6.240715      3.264600
  H      -9.235720     -4.646476      3.166769
  H      -8.869568     -5.258275      0.901313
  H      -7.279492     -5.945021      1.208429
  H      -7.577124     -3.435431      0.134341
  H      -6.189440     -3.915177      1.122755
  H      -8.707130     -2.603226      2.273019
  H      -7.219708     -1.730373      1.904404
  H      -5.919492     -2.971711      3.481711
  H      -7.373012     -2.465071      4.352561
  H      -4.283504     -1.055093      8.877592
  H      -4.081788      0.234016      7.673293
  H      -2.785869     -0.079913      8.868223
  H      -2.447541     -1.081443      6.578685
  H      -2.813319     -2.945015      8.799168
  H      -1.283290     -2.188982      8.358392
  H      -1.778664     -3.284967      5.972096
  H      -0.966789     -4.194796      7.239900
  H      -1.567126     -6.320286      7.570784
  H      -3.218858     -6.929433      7.428102
  H      -2.605275     -6.641050      9.792669
  H      -2.119144     -4.977830      9.525734
  H      -4.768297     -5.930005     10.240757
  H      -4.275812     -4.264641      9.953464
  H      -6.121626     -4.792728      8.431910
  H      -5.312047     -6.244190      7.856634
  H      -4.430827     -3.333200      7.427599
  H      -5.033021     -4.439873      6.212304
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5661750-81eQ/orca E -5767.877119772415
  N      -3.533408     -3.806023      2.017574
  C      -3.377940     -4.901109      1.058130
  C      -2.771750     -6.131169      1.728004
  N      -3.565761     -6.443018      2.952861
  C      -4.843610     -7.150341      2.595649
  C      -5.910641     -6.782270      3.610283
  N      -5.927450     -5.319969      3.757356
  Mo     -4.108038     -4.564365      3.827836
  N      -3.046787     -5.305912      5.364575
  C      -2.053084     -6.263232      4.884135
  C      -2.773332     -7.228280      3.953169
  H      -1.573025     -6.847394      5.686944
  H      -1.224059     -5.767812      4.335605
  H      -3.492174     -7.818678      4.537228
  H      -2.093320     -7.919569      3.424431
  H      -6.875536     -7.204949      3.287038
  H      -5.670996     -7.277545      4.573701
  H      -5.149641     -6.794927      1.603318
  H      -4.663720     -8.238689      2.537219
  H      -2.763469     -4.638966      0.183950
  H      -4.370190     -5.164738      0.644811
  H      -1.747231     -5.906780      2.057403
  H      -2.742961     -7.019531      1.066711
  C       1.431718     -1.989621      2.389551
  N       0.259007     -1.223645      2.792333
  C      -0.610653     -1.947120      3.725650
  C      -1.466079     -3.045514      3.086900
  C      -2.531413     -2.694892      2.011925
  C      -1.844857     -2.465708      0.651767
  C      -2.782310     -1.946413     -0.441765
  C      -3.491789     -0.667065      0.005980
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  C     -10.362997     -6.396074      6.011075
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  C      -7.277594     -3.724935      1.180688
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  N      -2.971859     -1.521473      7.223728
  C      -2.207656     -2.573314      7.900940
  C      -1.919125     -3.737704      6.950008
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  C      -2.909126     -5.688162      9.212870
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  C      -5.168129     -5.125978      8.193117
  C      -4.442475     -4.331298      7.108097
  H       2.025896     -2.378326      3.244349
  H       2.086570     -1.365828      1.765819
  H       1.127251     -2.854169      1.781619
  H       0.563337     -0.354088      3.231331
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  H      -1.265660     -1.210575      4.214944
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  H      -3.539991     -2.709117     -0.688477
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  H      -2.741649      0.133479      0.137978
  H      -4.745314      0.008902      1.659105
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  H      -8.929346     -7.833487      5.899637
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  H      -7.057488     -4.133567      6.023918
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  H      -8.574534     -6.237493      3.241564
  H      -9.248380     -4.639540      3.178037
  H      -8.874273     -5.194334      0.898237
  H      -7.290548     -5.897754      1.196803
  H      -7.568381     -3.361662      0.183288
  H      -6.187657     -3.871516      1.166555
  H      -8.706960     -2.577685      2.330409
  H      -7.215763     -1.701340      1.994069
  H      -5.933829     -2.974140      3.564482
  H      -7.404062     -2.495801      4.421410
  H      -4.255512     -0.986808      8.778612
  H      -3.993582      0.281762      7.564410
  H      -2.734716     -0.047207      8.794195
  H      -2.376513     -1.085875      6.517045
  H      -2.808302     -2.907904      8.761364
  H      -1.258533     -2.186999      8.331660
  H      -1.745188     -3.305424      5.954233
  H      -0.970785     -4.217875      7.242445
  H      -1.627640     -6.323160      7.602826
  H      -3.292624     -6.891310      7.450871
  H      -2.700361     -6.583825      9.817486
  H      -2.170023     -4.937635      9.532936
  H      -4.849916     -5.813481     10.226715
  H      -4.312647     -4.166053      9.921250
  H      -6.153300     -4.673345      8.385477
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  H      -4.415452     -3.269068      7.381508
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107
Coordinates from ORCA-job /scratch/magstr/orcajob__5661750-81eQ/orca E -5767.879291196906
  N      -3.512045     -3.807448      2.044312
  C      -3.351636     -4.894871      1.077290
  C      -2.760522     -6.133792      1.745979
  N      -3.570406     -6.448353      2.959167
  C      -4.842928     -7.155236      2.585216
  C      -5.924012     -6.794779      3.590077
  N      -5.941457     -5.334429      3.751571
  Mo     -4.123535     -4.577495      3.832028
  N      -3.058573     -5.307547      5.369396
  C      -2.070123     -6.277616      4.904317
  C      -2.788915     -7.237083      3.964722
  H      -1.612108     -6.869048      5.715148
  H      -1.225098     -5.794270      4.369233
  H      -3.513381     -7.825406      4.544178
  H      -2.106752     -7.930361      3.441385
  H      -6.884233     -7.212446      3.245775
  H      -5.699798     -7.304264      4.549911
  H      -5.139094     -6.796589      1.590710
  H      -4.663225     -8.243652      2.524879
  H      -2.724832     -4.629656      0.212738
  H      -4.340334     -5.151921      0.650291
  H      -1.738263     -5.916618      2.087164
  H      -2.729431     -7.016959      1.078012
  C       1.448791     -2.029803      2.306429
  N       0.306734     -1.242497      2.754461
  C      -0.548628     -1.955136      3.707792
  C      -1.434024     -3.046144      3.094507
  C      -2.523158     -2.688602      2.045335
  C      -1.867698     -2.423395      0.676075
  C      -2.839365     -1.909202     -0.389318
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  C      -3.422817     -0.486795      8.074610
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  H      -2.822576      0.163754      0.215711
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  H      -8.896456     -7.889765      5.891816
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  H      -5.947214     -2.986706      3.615643
  H      -7.441655     -2.520144      4.438650
  H      -4.213875     -0.937777      8.696273
  H      -3.882489      0.318877      7.485660
  H      -2.669950     -0.035361      8.755263
  H      -2.280924     -1.092823      6.483300
  H      -2.787657     -2.885863      8.736415
  H      -1.215773     -2.202485      8.323644
  H      -1.696760     -3.331525      5.948859
  H      -0.963132     -4.253419      7.253926
  H      -1.679448     -6.337087      7.628455
  H      -3.358537     -6.860096      7.465309
  H      -2.780492     -6.550622      9.834347
  H      -2.203902     -4.920593      9.543407
  H      -4.912602     -5.721395     10.214827
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  H      -6.167550     -4.564361      8.353881
  H      -5.416887     -6.063300      7.825110
  H      -4.384287     -3.210851      7.356942
  H      -5.017568     -4.309321      6.151926
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5661750-81eQ/orca E -5767.881324400199
  N      -3.481689     -3.809858      2.062065
  C      -3.314982     -4.891453      1.089548
  C      -2.745094     -6.140074      1.761751
  N      -3.576881     -6.454193      2.959870
  C      -4.843577     -7.158151      2.564946
  C      -5.940060     -6.803597      3.557582
  N      -5.958701     -5.345090      3.733820
  Mo     -4.140060     -4.585423      3.827478
  N      -3.078731     -5.304146      5.371298
  C      -2.097321     -6.291129      4.926071
  C      -2.812820     -7.245441      3.976683
  H      -1.665848     -6.889695      5.746588
  H      -1.234068     -5.822947      4.406737
  H      -3.546043     -7.828219      4.551119
  H      -2.127092     -7.943945      3.465119
  H      -6.894648     -7.216507      3.192376
  H      -5.731552     -7.326756      4.513836
  H      -5.127024     -6.795318      1.567942
  H      -4.667096     -8.247214      2.503557
  H      -2.670226     -4.626531      0.238208
  H      -4.298257     -5.140836      0.644878
  H      -1.726387     -5.931270      2.118415
  H      -2.710514     -7.018142      1.087465
  C       1.474495     -2.090421      2.232859
  N       0.368791     -1.275673      2.722299
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  C      -2.868079     -1.875294     -0.343632
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  C      -3.256264     -1.418832      2.534696
  C     -10.316171     -6.618108      5.883275
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  H      -4.336684     -0.283593     -0.571148
  H      -2.862728      0.190609      0.287993
  H      -4.778997     -0.018205      1.890636
  H      -5.041512     -1.683862      1.360936
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  H     -10.562667     -5.665874      5.391412
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  H      -8.602203     -6.253706      3.199532
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  H      -7.303724     -5.857235      1.175824
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  H      -6.188421     -3.820544      1.219497
  H      -8.730132     -2.573282      2.386713
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  H      -5.980211     -2.985452      3.672329
  H      -7.489034     -2.555296      4.493495
  H      -4.177221     -0.878511      8.598622
  H      -3.769776      0.362269      7.393325
  H      -2.611293     -0.015835      8.706915
  H      -2.184032     -1.096059      6.444304
  H      -2.777264     -2.853086      8.705677
  H      -1.180871     -2.214887      8.312833
  H      -1.652723     -3.360088      5.942877
  H      -0.971162     -4.289347      7.270920
  H      -1.757494     -6.341724      7.666136
  H      -3.450285     -6.814453      7.483900
  H      -2.897670     -6.490102      9.856427
  H      -2.267309     -4.881205      9.553053
  H      -5.009445     -5.592615     10.191512
  H      -4.372732     -3.983517      9.866384
  H      -6.201297     -4.427053      8.297954
  H      -5.483596     -5.953193      7.797808
  H      -4.363313     -3.137245      7.312785
  H      -5.013140     -4.229908      6.110249
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5661750-81eQ/orca E -5767.883229415248
  N      -3.457202     -3.814027      2.084478
  C      -3.282690     -4.888209      1.104945
  C      -2.731706     -6.145667      1.778093
  N      -3.583308     -6.461625      2.962022
  C      -4.844979     -7.161828      2.546701
  C      -5.955595     -6.815705      3.527757
  N      -5.975971     -5.358669      3.720986
  Mo     -4.156305     -4.594580      3.826882
  N      -3.095988     -5.302115      5.374898
  C      -2.122377     -6.305104      4.946344
  C      -2.834912     -7.254962      3.989308
  H      -1.714585     -6.909146      5.775518
  H      -1.243684     -5.850680      4.440889
  H      -3.576349     -7.832679      4.558712
  H      -2.146465     -7.958296      3.488130
  H      -6.904116     -7.222685      3.140816
  H      -5.763341     -7.354318      4.478713
  H      -5.115235     -6.791377      1.548608
  H      -4.671244     -8.251269      2.480881
  H      -2.620790     -4.621327      0.267310
  H      -4.260070     -5.130003      0.643021
  H      -1.716878     -5.945067      2.150024
  H      -2.693479     -7.018384      1.097273
  C       1.486220     -2.131288      2.156033
  N       0.415583     -1.296539      2.688544
  C      -0.418577     -1.985813      3.675626
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  C     -10.290938     -6.712754      5.824147
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  H       2.110804     -2.608586      2.942133
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  H      -6.005002     -2.990308      3.703109
  H      -7.534924     -2.579765      4.497489
  H      -4.121060     -0.841851      8.528597
  H      -3.653077      0.389663      7.334939
  H      -2.539152     -0.013233      8.680027
  H      -2.085826     -1.103706      6.418831
  H      -2.743756     -2.830977      8.684814
  H      -1.127423     -2.239277      8.300847
  H      -1.606702     -3.398862      5.938927
  H      -0.971122     -4.335015      7.285183
  H      -1.827885     -6.355663      7.695069
  H      -3.534050     -6.774242      7.500962
  H      -2.993061     -6.442095      9.874827
  H      -2.307179     -4.857309      9.560983
  H      -5.078000     -5.471950     10.179199
  H      -4.385771     -3.887339      9.842464
  H      -6.213072     -4.291120      8.262507
  H      -5.537375     -5.844426      7.784283
  H      -4.323244     -3.069492      7.284119
  H      -5.000067     -4.149274      6.084582
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5661750-81eQ/orca E -5767.885113770111
  N      -3.428938     -3.821119      2.103858
  C      -3.242641     -4.887366      1.118239
  C      -2.712609     -6.152828      1.793922
  N      -3.586554     -6.470317      2.961436
  C      -4.842656     -7.165117      2.523442
  C      -5.967640     -6.828149      3.491622
  N      -5.990625     -5.372909      3.703238
  Mo     -4.169565     -4.603352      3.821737
  N      -3.115518     -5.299410      5.376013
  C      -2.149832     -6.318972      4.966917
  C      -2.857183     -7.264813      4.001776
  H      -1.766989     -6.926503      5.805904
  H      -1.255555     -5.878355      4.476858
  H      -3.609457     -7.836359      4.563424
  H      -2.165739     -7.974044      3.513180
  H      -6.909592     -7.228454      3.082885
  H      -5.792554     -7.382320      4.436685
  H      -5.096833     -6.784868      1.524754
  H      -4.671431     -8.254775      2.451621
  H      -2.560358     -4.617655      0.297868
  H      -4.211755     -5.120388      0.634968
  H      -1.703317     -5.960754      2.184611
  H      -2.668727     -7.020864      1.107716
  C       1.503134     -2.161215      2.084581
  N       0.460564     -1.313674      2.652278
  C      -0.358577     -1.998074      3.655846
  C      -1.319654     -3.061591      3.107783
  C      -2.475976     -2.680884      2.138770
  C      -1.918372     -2.304074      0.751587
  C      -2.988140     -1.799041     -0.218537
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  C      -3.243553     -1.460050      2.692326
  C     -10.256990     -6.800557      5.780330
  N      -8.877175     -7.154569      5.463938
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  C      -7.818253     -4.858687      5.396371
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  C      -3.183912     -0.414753      7.909533
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  H      -0.737931     -3.876972      2.644986
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  H      -3.715212     -2.601343     -0.432391
  H      -4.523925     -0.256628     -0.314551
  H      -3.022717      0.245729      0.481168
  H      -4.828544     -0.075338      2.178375
  H      -5.083381     -1.730569      1.606781
  H      -3.690110     -1.735059      3.667868
  H      -2.525408     -0.647215      2.891778
  H     -10.438049     -6.645342      6.866317
  H     -10.536272     -5.871698      5.261903
  H     -10.929512     -7.593536      5.424448
  H      -8.689890     -8.095266      5.813533
  H      -8.084018     -6.078000      7.133576
  H      -6.906308     -6.722852      5.977868
  H      -7.156169     -4.247291      6.034106
  H      -8.808411     -4.371759      5.450697
  H      -8.629842     -6.278000      3.156846
  H      -9.300261     -4.665664      3.140472
  H      -8.873501     -5.125443      0.845220
  H      -7.305303     -5.864349      1.155652
  H      -7.542798     -3.287035      0.235853
  H      -6.180128     -3.817321      1.238255
  H      -8.748347     -2.592952      2.371709
  H      -7.252125     -1.695422      2.120653
  H      -6.028310     -2.996465      3.724843
  H      -7.573397     -2.606342      4.501156
  H      -4.058402     -0.805364      8.458770
  H      -3.531034      0.415609      7.278652
  H      -2.462288     -0.012463      8.652295
  H      -1.985638     -1.114171      6.393127
  H      -2.710558     -2.806311      8.664031
  H      -1.074162     -2.269904      8.286736
  H      -1.566689     -3.444660      5.935937
  H      -0.980366     -4.385250      7.301708
  H      -1.912683     -6.370725      7.723055
  H      -3.630331     -6.730801      7.512910
  H      -3.105186     -6.391310      9.889187
  H      -2.359828     -4.835122      9.566807
  H      -5.158092     -5.342928     10.159113
  H      -4.405811     -3.787725      9.811102
  H      -6.228705     -4.147070      8.215818
  H      -5.601522     -5.729235      7.763994
  H      -4.285839     -3.003558      7.246779
  H      -4.988521     -4.069702      6.050292
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5661750-81eQ/orca E -5767.886891058981
  N      -3.397999     -3.831381      2.120009
  C      -3.197001     -4.890636      1.130390
  C      -2.691837     -6.163534      1.810985
  N      -3.590471     -6.480474      2.960120
  C      -4.841218     -7.167397      2.498621
  C      -5.980124     -6.838205      3.452947
  N      -6.004574     -5.385404      3.682402
  Mo     -4.181243     -4.610989      3.812899
  N      -3.139074     -5.295524      5.375325
  C      -2.182824     -6.333455      4.988488
  C      -2.884015     -7.275526      4.015633
  H      -1.826035     -6.942364      5.838262
  H      -1.272723     -5.907892      4.514699
  H      -3.649896     -7.838889      4.567217
  H      -2.190370     -7.992587      3.541704
  H      -6.916008     -7.229968      3.023086
  H      -5.823654     -7.406973      4.392346
  H      -5.076618     -6.775994      1.499687
  H      -4.673218     -8.257313      2.420172
  H      -2.490930     -4.619081      0.330932
  H      -4.155386     -5.112619      0.621501
  H      -1.689714     -5.981138      2.223632
  H      -2.641231     -7.028266      1.121325
  C       1.521104     -2.178207      2.018340
  N       0.499773     -1.325574      2.617108
  C      -0.302584     -2.010173      3.635185
  C      -1.277325     -3.070005      3.105868
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  C     -10.211713     -6.888817      5.742039
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  H      -2.616801     -1.468428     -1.120597
  H      -3.767008     -2.579247     -0.356877
  H      -4.619066     -0.255008     -0.174212
  H      -3.105176      0.265089      0.585790
  H      -4.849198     -0.120389      2.330818
  H      -5.093351     -1.770023      1.736561
  H      -3.642653     -1.798651      3.752546
  H      -2.517368     -0.671862      2.973185
  H     -10.408237     -6.729988      6.824795
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  H      -8.614041     -8.144395      5.798717
  H      -8.070254     -6.114702      7.119789
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  H      -7.163877     -4.266512      6.021049
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  H      -8.643342     -6.290621      3.137660
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  H      -8.884950     -5.123188      0.832754
  H      -7.317297     -5.864659      1.141432
  H      -7.554644     -3.283693      0.233897
  H      -6.193148     -3.812870      1.238125
  H      -8.768376     -2.602655      2.368603
  H      -7.273422     -1.700218      2.128136
  H      -6.054567     -2.999577      3.736252
  H      -7.609889     -2.632157      4.502975
  H      -3.989253     -0.772602      8.396083
  H      -3.404330      0.438547      7.232998
  H      -2.380584     -0.017339      8.631087
  H      -1.884182     -1.126798      6.372616
  H      -2.675824     -2.782991      8.645346
  H      -1.020289     -2.308630      8.272522
  H      -1.533661     -3.494340      5.933266
  H      -0.996972     -4.438913      7.317694
  H      -2.009200     -6.386142      7.745541
  H      -3.736593     -6.682284      7.518722
  H      -3.226268     -6.339998      9.897655
  H      -2.416750     -4.817667      9.570051
  H      -5.239188     -5.206589     10.135758
  H      -4.421247     -3.686731      9.779049
  H      -6.239952     -3.990440      8.167763
  H      -5.672615     -5.602383      7.741358
  H      -4.243796     -2.936767      7.208964
  H      -4.977001     -3.984010      6.015068
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5661750-81eQ/orca E -5767.888449376112
  N      -3.370195     -3.841532      2.132847
  C      -3.148034     -4.896178      1.143198
  C      -2.668731     -6.174673      1.831727
  N      -3.593093     -6.490085      2.960584
  C      -4.837498     -7.169170      2.475060
  C      -5.989474     -6.848677      3.416511
  N      -6.015314     -5.399623      3.663627
  Mo     -4.191985     -4.619478      3.802992
  N      -3.162562     -5.290573      5.373665
  C      -2.216108     -6.346866      5.010844
  C      -2.911229     -7.285637      4.030951
  H      -1.884908     -6.955766      5.870960
  H      -1.290627     -5.936978      4.553546
  H      -3.691626     -7.839976      4.571208
  H      -2.216456     -8.011371      3.571933
  H      -6.919866     -7.231605      2.967508
  H      -5.850438     -7.430906      4.350348
  H      -5.054889     -6.765914      1.476752
  H      -4.671111     -8.258926      2.388411
  H      -2.416451     -4.623563      0.367094
  H      -4.092304     -5.108561      0.604699
  H      -1.675379     -6.000726      2.268119
  H      -2.609112     -7.037851      1.141025
  C       1.527842     -2.187137      1.957307
  N       0.526822     -1.330086      2.583380
  C      -0.260366     -2.013778      3.613714
  C      -1.245041     -3.072163      3.101700
  C      -2.444658     -2.681146      2.190767
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  C      -3.096098     -1.736898     -0.099604
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  C      -3.225058     -1.511022      2.830200
  C     -10.162904     -6.976212      5.711647
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  C      -2.982762     -0.390894      7.846921
  N      -2.473430     -1.478708      7.026432
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  C      -5.370116     -4.485986      8.009720
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  H       2.180354     -2.714791      2.686600
  H       2.163614     -1.585513      1.293336
  H       1.033126     -2.952077      1.341470
  H       0.994341     -0.527117      3.006091
  H       0.398651     -2.531802      4.349186
  H      -0.809503     -1.242552      4.175665
  H      -0.687115     -3.882694      2.603293
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  H      -1.389731     -3.031238      0.309023
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  H      -3.802655     -2.560278     -0.301720
  H      -4.692751     -0.254813     -0.068689
  H      -3.173296      0.281667      0.668501
  H      -4.872308     -0.157859      2.442128
  H      -5.103481     -1.802137      1.828479
  H      -3.615841     -1.844525      3.813633
  H      -2.522055     -0.687388      3.036269
  H     -10.373046     -6.815440      6.791526
  H     -10.476393     -6.069116      5.174615
  H     -10.789843     -7.805028      5.354535
  H      -8.538256     -8.196139      5.786296
  H      -8.048102     -6.161424      7.110813
  H      -6.822854     -6.740057      5.967365
  H      -7.162226     -4.296156      6.015536
  H      -8.822549     -4.467309      5.461611
  H      -8.657553     -6.303673      3.123913
  H      -9.328277     -4.688014      3.133245
  H      -8.904811     -5.114947      0.830123
  H      -7.337578     -5.861218      1.128702
  H      -7.572584     -3.274050      0.242651
  H      -6.211068     -3.810892      1.242026
  H      -8.784431     -2.607178      2.381285
  H      -7.288317     -1.705155      2.149368
  H      -6.074397     -3.011248      3.754510
  H      -7.635904     -2.662107      4.516479
  H      -3.904507     -0.737172      8.347271
  H      -3.251899      0.461417      7.207493
  H      -2.281094     -0.031989      8.629582
  H      -1.765344     -1.145483      6.371398
  H      -2.638734     -2.768299      8.636756
  H      -0.963643     -2.363791      8.272351
  H      -1.500652     -3.544438      5.939032
  H      -1.020417     -4.499063      7.338321
  H      -2.115204     -6.398580      7.767921
  H      -3.848397     -6.630359      7.515424
  H      -3.365879     -6.290080      9.899572
  H      -2.490473     -4.804407      9.576073
  H      -5.334654     -5.073943     10.096936
  H      -4.450304     -3.591900      9.741323
  H      -6.254217     -3.835927      8.103275
  H      -5.747336     -5.474041      7.700208
  H      -4.203856     -2.872867      7.167420
  H      -4.960306     -3.897322      5.970655
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5661750-81eQ/orca E -5767.889688766425
  N      -3.359423     -3.847759      2.154103
  C      -3.110796     -4.899621      1.166315
  C      -2.652735     -6.178970      1.867407
  N      -3.606632     -6.494225      2.974459
  C      -4.837581     -7.178164      2.461807
  C      -6.011344     -6.869116      3.382446
  N      -6.050467     -5.423285      3.637242
  Mo     -4.232467     -4.623523      3.797368
  N      -3.209310     -5.264424      5.382492
  C      -2.267685     -6.338659      5.049593
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  H      -1.960724     -6.941983      5.924490
  H      -1.327715     -5.943820      4.607153
  H      -3.740392     -7.830352      4.595394
  H      -2.244898     -8.014192      3.626240
  H      -6.930557     -7.252853      2.909416
  H      -5.892762     -7.457736      4.315201
  H      -5.035574     -6.772373      1.459718
  H      -4.664357     -8.267061      2.374849
  H      -2.352608     -4.625883      0.412643
  H      -4.040200     -5.109014      0.597288
  H      -1.669803     -6.006397      2.330038
  H      -2.576549     -7.041541      1.177110
  C       1.517511     -2.177201      1.895800
  N       0.537228     -1.315624      2.547012
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  C      -1.230110     -3.056569      3.104943
  C      -2.451398     -2.673335      2.219315
  C      -2.001032     -2.188798      0.826099
  C      -3.166636     -1.717127     -0.042749
  C      -3.933279     -0.587681      0.647772
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  C      -3.242722     -1.529292      2.887896
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  H      -2.788225     -1.378055     -1.020751
  H      -3.859844     -2.555296     -0.235623
  H      -4.792864     -0.270806      0.036521
  H      -3.268881      0.291514      0.744526
  H      -4.917035     -0.201524      2.549248
  H      -5.135595     -1.842834      1.927358
  H      -3.610465     -1.883897      3.871453
  H      -2.550936     -0.695734      3.094337
  H     -10.391286     -6.973182      6.697524
  H     -10.494349     -6.238341      5.074649
  H     -10.751968     -7.987985      5.255532
  H      -8.487898     -8.302052      5.724627
  H      -8.083372     -6.247399      7.061933
  H      -6.817677     -6.779907      5.930718
  H      -7.240941     -4.352459      5.980974
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  H      -8.670455     -6.362132      3.058797
  H      -9.362838     -4.755856      3.073780
  H      -8.897198     -5.155767      0.770495
  H      -7.325294     -5.883399      1.084635
  H      -7.577285     -3.295649      0.215188
  H      -6.222988     -3.817549      1.229131
  H      -8.833434     -2.663015      2.341062
  H      -7.343019     -1.738296      2.140660
  H      -6.139662     -3.031476      3.766140
  H      -7.731493     -2.721238      4.497137
  H      -3.527815     -0.562925      8.473131
  H      -2.786875      0.605068      7.336440
  H      -1.818193     -0.026571      8.694319
  H      -1.499377     -1.152065      6.416888
  H      -2.489378     -2.741086      8.671224
  H      -0.770807     -2.481708      8.272328
  H      -1.447227     -3.586875      5.948998
  H      -1.029351     -4.594130      7.330825
  H      -2.250778     -6.409354      7.793975
  H      -4.001940     -6.550518      7.516832
  H      -3.539369     -6.235248      9.903473
  H      -2.575216     -4.789842      9.593647
  H      -5.462348     -4.912614     10.059999
  H      -4.487270     -3.471438      9.722329
  H      -6.283505     -3.617176      8.056406
  H      -5.852334     -5.286365      7.664569
  H      -4.153157     -2.757507      7.150474
  H      -4.955329     -3.743708      5.947504
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5661750-81eQ/orca E -5767.889297765309
  N      -3.336224     -3.861842      2.173181
  C      -3.059032     -4.912690      1.191606
  C      -2.629981     -6.192716      1.906634
  N      -3.613480     -6.504929      2.987895
  C      -4.830047     -7.191992      2.451365
  C      -6.026468     -6.889343      3.344940
  N      -6.079519     -5.446834      3.601432
  Mo     -4.262835     -4.626332      3.785807
  N      -3.252102     -5.233673      5.387502
  C      -2.315318     -6.320094      5.084387
  C      -2.977135     -7.277692      4.101400
  H      -2.027500     -6.909444      5.970094
  H      -1.370305     -5.936337      4.655891
  H      -3.778169     -7.818344      4.622020
  H      -2.265220     -8.015200      3.687491
  H      -6.931890     -7.272605      2.850594
  H      -5.929812     -7.479420      4.276020
  H      -5.005808     -6.784316      1.447347
  H      -4.651680     -8.280564      2.366913
  H      -2.271524     -4.641472      0.468794
  H      -3.966613     -5.115094      0.589084
  H      -1.662531     -6.021830      2.397750
  H      -2.535166     -7.056309      1.219965
  C       1.509101     -2.149850      1.843817
  N       0.546137     -1.292646      2.524909
  C      -0.204423     -1.985687      3.574024
  C      -1.198500     -3.047361      3.099941
  C      -2.443169     -2.675279      2.243916
  C      -2.038606     -2.166263      0.852139
  C      -3.233703     -1.718595      0.022706
  C      -4.003594     -0.618234      0.744567
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  C     -10.139403     -7.155640      5.591678
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  C      -7.412900     -4.839189      3.834370
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  C      -2.338524     -0.265854      8.035136
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  H      -0.655203     -3.845893      2.571441
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  H      -1.457732     -2.927813      0.318393
  H      -1.345876     -1.322411      1.003417
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  H      -3.911379     -2.570660     -0.161652
  H      -4.883831     -0.319043      0.162535
  H      -3.359040      0.275749      0.836629
  H      -4.939337     -0.275476      2.668307
  H      -5.139115     -1.916164      2.036184
  H      -3.570509     -1.936763      3.925568
  H      -2.553517     -0.720946      3.149112
  H     -10.364154     -6.993536      6.666431
  H     -10.473798     -6.268979      5.041074
  H     -10.733389     -8.001074      5.241096
  H      -8.488530     -8.318415      5.690701
  H      -8.080230     -6.277095      7.013893
  H      -6.830397     -6.796369      5.879794
  H      -7.271355     -4.393808      5.918376
  H      -8.923036     -4.622777      5.373824
  H      -8.692578     -6.402630      2.993263
  H      -9.393812     -4.799414      3.014835
  H      -8.916543     -5.184144      0.713158
  H      -7.339135     -5.902275      1.029732
  H      -7.607175     -3.314705      0.168500
  H      -6.251252     -3.823908      1.187618
  H      -8.879624     -2.701002      2.288962
  H      -7.392859     -1.765265      2.101963
  H      -6.191578     -3.055387      3.731890
  H      -7.791621     -2.768851      4.449328
  H      -3.238696     -0.471792      8.622083
  H      -2.512397      0.652079      7.468338
  H      -1.510955     -0.048203      8.726271
  H      -1.416333     -1.163323      6.442109
  H      -2.394595     -2.718002      8.705105
  H      -0.691160     -2.549251      8.243946
  H      -1.489204     -3.600940      5.951409
  H      -1.085290     -4.603375      7.322505
  H      -2.326578     -6.341609      7.804896
  H      -4.049905     -6.466468      7.502478
  H      -3.601582     -6.154305      9.890505
  H      -2.637450     -4.740707      9.604002
  H      -5.483963     -4.839426     10.012272
  H      -4.504242     -3.430895      9.706643
  H      -6.258451     -3.556565      8.011288
  H      -5.847198     -5.200546      7.622214
  H      -4.142612     -2.731781      7.143119
  H      -4.946016     -3.696087      5.930599
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5661750-81eQ/orca E -5767.891075389291
  N      -3.299491     -3.885154      2.182963
  C      -3.011819     -4.929162      1.197439
  C      -2.598669     -6.217893      1.908872
  N      -3.593881     -6.532674      2.977376
  C      -4.809847     -7.207467      2.424819
  C      -6.008476     -6.911080      3.314849
  N      -6.055755     -5.470240      3.590608
  Mo     -4.236281     -4.660499      3.778357
  N      -3.229195     -5.265996      5.376408
  C      -2.303725     -6.366203      5.082913
  C      -2.973202     -7.314733      4.093628
  H      -2.030044     -6.960927      5.969719
  H      -1.348571     -5.992767      4.662464
  H      -3.785477     -7.848871      4.605871
  H      -2.267351     -8.059365      3.683905
  H      -6.912985     -7.283995      2.810652
  H      -5.919273     -7.516136      4.239229
  H      -4.977598     -6.785509      1.424818
  H      -4.636378     -8.296192      2.327869
  H      -2.214536     -4.653994      0.488318
  H      -3.910859     -5.123307      0.580638
  H      -1.635212     -6.056697      2.410933
  H      -2.503535     -7.078167      1.219104
  C       1.538583     -2.178737      1.784234
  N       0.589052     -1.323571      2.500442
  C      -0.142485     -2.028679      3.554945
  C      -1.150973     -3.078383      3.079089
  C      -2.424570     -2.684351      2.260097
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  C     -10.101416     -7.161916      5.577705
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  H       1.096350     -0.546505      2.931676
  H       0.559673     -2.561431      4.246844
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  H      -0.618870     -3.871155      2.518007
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  H      -3.976066     -2.500678     -0.117586
  H      -4.999994     -0.259091      0.316435
  H      -3.455588      0.327160      0.966308
  H      -4.979547     -0.305697      2.854531
  H      -5.166069     -1.932814      2.159519
  H      -3.526680     -2.015404      4.026519
  H      -2.556068     -0.749684      3.245572
  H     -10.338317     -7.000776      6.650540
  H     -10.428349     -6.275891      5.025492
  H     -10.692213     -8.004959      5.219455
  H      -8.455110     -8.326431      5.685670
  H      -8.050180     -6.295025      7.022717
  H      -6.797043     -6.808248      5.892828
  H      -7.227547     -4.415153      5.929346
  H      -8.880455     -4.633201      5.393534
  H      -8.693778     -6.387066      3.002612
  H      -9.374080     -4.772759      3.043168
  H      -8.932739     -5.145221      0.737469
  H      -7.362628     -5.891421      1.031017
  H      -7.608065     -3.288385      0.196138
  H      -6.248981     -3.830113      1.197699
  H      -8.840271     -2.667760      2.328887
  H      -7.345762     -1.758004      2.134352
  H      -6.156353     -3.084087      3.739668
  H      -7.733208     -2.778604      4.469687
  H      -3.353800     -0.549014      8.519565
  H      -2.640054      0.549402      7.348818
  H      -1.649367     -0.098250      8.657676
  H      -1.481973     -1.225402      6.387492
  H      -2.461784     -2.760332      8.653733
  H      -0.773475     -2.558121      8.241121
  H      -1.464946     -3.643856      5.932316
  H      -1.091728     -4.621276      7.340506
  H      -2.382597     -6.366401      7.862932
  H      -4.112339     -6.442496      7.544069
  H      -3.709593     -6.058612      9.944936
  H      -2.679466     -4.677006      9.605372
  H      -5.558659     -4.641492     10.009580
  H      -4.507107     -3.264619      9.643541
  H      -6.245788     -3.391828      7.935196
  H      -5.887999     -5.092072      7.615890
  H      -4.065077     -2.677720      7.044668
  H      -4.883218     -3.672276      5.856492
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5661750-81eQ/orca E -5767.890791919006
  N      -3.295243     -3.867062      2.194983
  C      -3.003297     -4.908615      1.211976
  C      -2.611335     -6.201491      1.924135
  N      -3.621124     -6.508594      2.979106
  C      -4.833815     -7.174342      2.410243
  C      -6.033086     -6.884316      3.296337
  N      -6.080407     -5.444923      3.586596
  Mo     -4.261859     -4.636860      3.778850
  N      -3.255071     -5.248003      5.373263
  C      -2.341844     -6.362130      5.088459
  C      -3.018806     -7.300872      4.097723
  H      -2.082584     -6.962578      5.980451
  H      -1.373835     -6.001242      4.673717
  H      -3.843951     -7.826030      4.603122
  H      -2.320084     -8.054459      3.692512
  H      -6.936341     -7.251151      2.782637
  H      -5.949495     -7.501917      4.215429
  H      -4.994912     -6.742074      1.412060
  H      -4.662431     -8.262545      2.304303
  H      -2.191281     -4.635703      0.517090
  H      -3.894992     -5.091337      0.578804
  H      -1.650160     -6.052077      2.437089
  H      -2.518304     -7.061490      1.234868
  C       1.528336     -2.146641      1.781293
  N       0.570531     -1.303787      2.458667
  C      -0.156416     -1.986606      3.534886
  C      -1.153892     -3.060202      3.090802
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  C      -2.037671     -2.136928      0.887716
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  C      -3.202981     -1.586910      3.010218
  C     -10.069921     -7.351002      5.560519
  N      -8.617126     -7.501954      5.339327
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  H      -7.800349     -2.765103      4.496837
  H      -3.322692     -0.506350      8.462367
  H      -2.478530      0.556334      7.282604
  H      -1.564840     -0.161447      8.665332
  H      -1.361560     -1.289373      6.395040
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  H      -1.410828     -3.683409      5.948384
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  H      -4.201674     -6.415905      7.517302
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107
Coordinates from ORCA-job /scratch/magstr/orcajob__5661750-81eQ/orca E -5767.892802229082
  N      -3.288285     -3.868220      2.221644
  C      -2.965896     -4.910744      1.245780
  C      -2.585168     -6.199136      1.971388
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  C      -4.815356     -7.183242      2.425875
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  Mo     -4.282699     -4.634848      3.786148
  N      -3.284214     -5.216560      5.395966
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  C      -3.027514     -7.286528      4.146825
  H      -2.123227     -6.925911      6.043266
  H      -1.393012     -5.982800      4.733213
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  H      -2.320080     -8.043514      3.760240
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  H      -4.964399     -6.756785      1.423307
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  H      -1.634564     -6.043552      2.502838
  H      -2.473553     -7.061302      1.286318
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  N       0.585570     -1.294887      2.419939
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  H      -3.024528     -0.344923      8.553855
  H      -2.121515      0.662353      7.349139
  H      -1.227604     -0.144729      8.691241
  H      -1.175480     -1.294765      6.425235
  H      -2.404056     -2.726182      8.697580
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  H      -1.396959     -3.695906      5.982702
  H      -1.135610     -4.735046      7.389640
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  H      -4.260271     -6.360753      7.501168
  H      -3.858487     -6.058001      9.896892
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  H      -5.645943     -4.583715      9.951905
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  H      -4.044285     -2.608179      7.083505
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107
Coordinates from ORCA-job /scratch/magstr/orcajob__5661750-81eQ/orca E -5767.892465241513
  N      -3.280894     -3.897629      2.212368
  C      -2.937326     -4.938013      1.239288
  C      -2.563675     -6.225117      1.971016
  N      -3.607075     -6.536193      2.996402
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  C      -6.029434     -6.943525      3.253762
  N      -6.099582     -5.506992      3.541147
  Mo     -4.293761     -4.663890      3.764328
  N      -3.297325     -5.226906      5.382292
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  C      -3.028679     -7.307836      4.142899
  H      -2.141701     -6.928921      6.041366
  H      -1.409837     -5.997273      4.735489
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  H      -2.314513     -8.064797      3.768856
  H      -6.912948     -7.320142      2.715045
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  H      -2.095531     -4.660170      0.581008
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  H      -2.438177     -7.086506      1.286546
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  H      -2.084589      0.595020      7.456727
  H      -1.107758     -0.192901      8.683483
  H      -1.201770     -1.304634      6.416380
  H      -2.296629     -2.746791      8.697479
  H      -0.588881     -2.714908      8.249984
  H      -1.427569     -3.716144      5.949784
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  H      -2.579426     -6.370408      7.865685
  H      -4.309640     -6.322133      7.504476
  H      -3.923193     -5.996282      9.901874
  H      -2.792295     -4.686184      9.614338
  H      -5.674153     -4.470895      9.932768
  H      -4.532683     -3.163357      9.622136
  H      -6.241772     -3.161973      7.866862
  H      -5.979494     -4.870498      7.542029
  H      -4.005525     -2.578914      7.038983
  H      -4.859313     -3.508798      5.828344
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5661750-81eQ/orca E -5767.894075857370
  N      -3.266571     -3.886357      2.233976
  C      -2.920381     -4.921289      1.259534
  C      -2.571591     -6.218242      1.986070
  N      -3.625410     -6.524471      2.998021
  C      -4.812803     -7.193168      2.387998
  C      -6.043600     -6.921127      3.238907
  N      -6.110471     -5.487259      3.541617
  Mo     -4.301196     -4.654497      3.767118
  N      -3.308879     -5.221392      5.378598
  C      -2.407328     -6.355485      5.137403
  C      -3.064480     -7.305610      4.144644
  H      -2.179815     -6.937829      6.043557
  H      -1.429173     -6.015769      4.744372
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  H      -2.451755     -7.078292      1.300763
  C       1.503055     -2.170256      1.649366
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  H      -2.912204     -0.453999      8.613570
  H      -2.150561      0.543190      7.402005
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  H      -2.355663     -2.770506      8.671130
  H      -0.661025     -2.718392      8.256096
  H      -1.441381     -3.726280      5.945053
  H      -1.162231     -4.736009      7.338908
  H      -2.631346     -6.351402      7.884883
  H      -4.350945     -6.278024      7.511881
  H      -3.986268     -5.918756      9.918556
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107
Coordinates from ORCA-job /scratch/magstr/orcajob__5661750-81eQ/orca E -5767.894248226878
  N      -3.250122     -3.886477      2.249010
  C      -2.891440     -4.920385      1.278671
  C      -2.554245     -6.217878      2.009347
  N      -3.619784     -6.520004      3.011212
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  N      -3.310972     -5.214659      5.386318
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  C      -3.070271     -7.303921      4.163564
  H      -2.198613     -6.941767      6.074593
  H      -1.421200     -6.026958      4.772541
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  H      -2.368169     -8.075866      3.798875
  H      -6.920105     -7.282561      2.677148
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  H      -4.932039     -6.745912      1.391474
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  H      -2.026073     -4.645077      0.649716
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  H      -1.619480     -6.077379      2.571300
  H      -2.430668     -7.077973      1.325211
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  N       0.592974     -1.282715      2.370678
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  C      -1.104233     -3.042418      3.080773
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  H      -3.566645      0.331570      1.154410
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  H      -3.461869     -2.081873      4.146966
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  H      -6.270287     -3.101567      3.776664
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  H      -2.853378     -0.296267      8.514489
  H      -1.874991      0.601146      7.252920
  H      -1.034102     -0.260790      8.628738
  H      -1.082254     -1.437599      6.387888
  H      -2.420985     -2.763495      8.669843
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  H      -1.367640     -3.769621      5.988430
  H      -1.191907     -4.815395      7.409484
  H      -2.665176     -6.357797      7.894908
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  H      -4.033750     -5.922744      9.907901
  H      -2.862687     -4.647841      9.621488
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  H      -3.936409     -2.525769      7.013740
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107
Coordinates from ORCA-job /scratch/magstr/orcajob__5661750-81eQ/orca E -5767.896540522969
  N      -3.246597     -3.889107      2.254746
  C      -2.854199     -4.919328      1.290309
  C      -2.529848     -6.215550      2.030038
  N      -3.618601     -6.522644      3.010368
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  C      -6.044154     -6.945200      3.190826
  N      -6.128742     -5.514539      3.504393
  Mo     -4.333264     -4.658554      3.757494
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  C      -3.089259     -7.301043      4.177590
  H      -2.250979     -6.926888      6.104226
  H      -1.450868     -6.023750      4.805598
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  H      -4.591612     -8.281968      2.250431
  H      -1.967719     -4.638326      0.686755
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  H      -1.606442     -6.070967      2.612587
  H      -2.386942     -7.073923      1.345858
  C       1.465001     -2.102011      1.621355
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  H      -7.920561     -2.897489      4.430758
  H      -2.582024     -0.350982      8.681330
  H      -1.721203      0.571633      7.414526
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  H      -1.044466     -1.444159      6.411555
  H      -2.269965     -2.787245      8.714474
  H      -0.548001     -2.856116      8.295003
  H      -1.383496     -3.776423      5.972908
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  H      -4.115668     -5.881489      9.892122
  H      -2.891359     -4.641434      9.619901
  H      -5.774465     -4.247165      9.877064
  H      -4.544222     -3.005748      9.584390
  H      -6.221487     -2.912363      7.786966
  H      -6.057410     -4.644999      7.481085
  H      -3.916258     -2.475305      7.003826
  H      -4.805514     -3.365423      5.777657
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5661750-81eQ/orca E -5767.895158427367
  N      -3.253368     -3.903238      2.266190
  C      -2.863226     -4.935625      1.305839
  C      -2.547896     -6.233618      2.044557
  N      -3.633111     -6.532147      3.024485
  C      -4.800072     -7.202558      2.383264
  C      -6.056103     -6.944278      3.202887
  N      -6.137543     -5.514589      3.512673
  Mo     -4.338002     -4.663170      3.765675
  N      -3.353005     -5.199785      5.392285
  C      -2.460688     -6.348584      5.184182
  C      -3.106161     -7.305947      4.191870
  H      -2.260161     -6.919253      6.102391
  H      -1.472004     -6.027661      4.808011
  H      -3.962193     -7.798083      4.669162
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  H      -4.607004     -8.286536      2.268076
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  H      -1.626961     -6.095891      2.622012
  H      -2.412627     -7.095619      1.364789
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  H      -4.112549     -5.833549      9.912311
  H      -2.910180     -4.600160      9.636256
  H      -5.766833     -4.225305      9.871098
  H      -4.551692     -2.991350      9.581002
  H      -6.198944     -2.922427      7.770822
  H      -6.028130     -4.642820      7.483703
  H      -3.915162     -2.491029      6.997187
  H      -4.790014     -3.393837      5.777060
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5661750-81eQ/orca E -5767.897514401438
  N      -3.226220     -3.900990      2.277802
  C      -2.818057     -4.923409      1.314741
  C      -2.516874     -6.226580      2.047626
  N      -3.615830     -6.531117      3.009881
  C      -4.773644     -7.197465      2.347504
  C      -6.036917     -6.956909      3.161012
  N      -6.127658     -5.531094      3.493127
  Mo     -4.334263     -4.671011      3.755049
  N      -3.354049     -5.208889      5.380766
  C      -2.465067     -6.361774      5.182578
  C      -3.104967     -7.311932      4.178937
  H      -2.280207     -6.935795      6.102883
  H      -1.467579     -6.045210      4.821144
  H      -3.970297     -7.802434      4.643484
  H      -2.401872     -8.092559      3.837464
  H      -6.895160     -7.317006      2.574522
  H      -6.014371     -7.605237      4.058538
  H      -4.879788     -6.738375      1.355591
  H      -4.575268     -8.279259      2.219027
  H      -1.918727     -4.643170      0.741560
  H      -3.612255     -5.092433      0.562908
  H      -1.603389     -6.095356      2.639739
  H      -2.374759     -7.083746      1.363405
  C       1.493423     -2.134522      1.578283
  N       0.603559     -1.265921      2.349550
  C      -0.061919     -1.950361      3.460825
  C      -1.080533     -3.029824      3.075451
  C      -2.415790     -2.663038      2.365027
  C      -2.175075     -2.023743      0.981727
  C      -3.469726     -1.590103      0.299667
  C      -4.219987     -0.583172      1.174136
  C      -4.486867     -1.166292      2.556404
  C      -3.203607     -1.657990      3.227542
  C      -9.988741     -7.529176      5.477946
  N      -8.562188     -7.654870      5.229061
  C      -7.771217     -6.606372      5.862030
  C      -7.934685     -5.221822      5.246174
  C      -7.470257     -4.954401      3.782299
  C      -8.516720     -5.422435      2.746560
  C      -8.092390     -5.114349      1.297732
  C      -7.402921     -3.734753      1.162245
  C      -7.816505     -2.819032      2.312732
  C      -7.357306     -3.399963      3.658594
  C      -1.720360     -0.368410      7.908261
  N      -1.803072     -1.549305      7.056629
  C      -1.651500     -2.787833      7.827884
  C      -1.848415     -4.026032      6.961887
  C      -3.283281     -4.568121      6.730737
  C      -3.630577     -5.601248      7.835338
  C      -3.903053     -4.987218      9.218739
  C      -4.981041     -3.875194      9.168170
  C      -5.490773     -3.676230      7.740416
  C      -4.343724     -3.443548      6.755895
  H       2.195034     -2.732389      2.206367
  H       2.089287     -1.523524      0.886614
  H       0.906342     -2.842384      0.970503
  H       1.153079     -0.494355      2.736131
  H       0.684981     -2.448464      4.126279
  H      -0.557799     -1.176894      4.073622
  H      -0.576507     -3.811308      2.478400
  H      -1.372871     -3.510529      4.024821
  H      -1.611196     -2.711626      0.333417
  H      -1.518545     -1.155478      1.135547
  H      -3.249035     -1.157073     -0.684415
  H      -4.110883     -2.467370      0.121925
  H      -5.168332     -0.293879      0.697066
  H      -3.616461      0.334661      1.275678
  H      -4.986785     -0.428701      3.207036
  H      -5.170941     -2.019805      2.441309
  H      -3.422775     -2.121094      4.206551
  H      -2.555031     -0.796621      3.452304
  H     -10.250577     -7.389432      6.548002
  H     -10.386906     -6.672356      4.924023
  H     -10.503705     -8.423834      5.117173
  H      -8.249311     -8.555789      5.583886
  H      -8.013009     -6.511687      6.948853
  H      -6.714590     -6.888453      5.803549
  H      -7.343599     -4.549203      5.882355
  H      -8.979697     -4.885093      5.353252
  H      -8.738271     -6.493516      2.874890
  H      -9.456704     -4.892491      2.977246
  H      -8.986456     -5.152779      0.651227
  H      -7.416131     -5.903656      0.931802
  H      -7.646417     -3.275242      0.188468
  H      -6.308004     -3.857974      1.199862
  H      -8.913904     -2.705432      2.310165
  H      -7.404713     -1.803453      2.182639
  H      -6.286105     -3.148055      3.808561
  H      -7.904097     -2.917455      4.482144
  H      -2.608815     -0.314404      8.557802
  H      -1.702596      0.537400      7.283358
  H      -0.827608     -0.355030      8.574350
  H      -1.074786     -1.502224      6.344827
  H      -2.380316     -2.750820      8.651111
  H      -0.659256     -2.853954      8.314798
  H      -1.409279     -3.817412      5.971844
  H      -1.246815     -4.835486      7.393587
  H      -2.817224     -6.328900      7.927919
  H      -4.513020     -6.162187      7.499813
  H      -4.211889     -5.789883      9.908952
  H      -2.968072     -4.587354      9.629612
  H      -5.826855     -4.122975      9.833252
  H      -4.564529     -2.920984      9.534365
  H      -6.190970     -2.825882      7.702185
  H      -6.066502     -4.565672      7.439715
  H      -3.869603     -2.469284      6.948891
  H      -4.754490     -3.367469      5.724795
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5661750-81eQ/orca E -5767.896342550162
  N      -3.224968     -3.886167      2.287440
  C      -2.799047     -4.911215      1.333080
  C      -2.514745     -6.215519      2.077699
  N      -3.633087     -6.512579      3.028034
  C      -4.787394     -7.178218      2.352896
  C      -6.062468     -6.935360      3.154332
  N      -6.151848     -5.509361      3.482099
  Mo     -4.361547     -4.650245      3.759544
  N      -3.386250     -5.188011      5.396356
  C      -2.501080     -6.352900      5.213655
  C      -3.140191     -7.298550      4.206603
  H      -2.332918     -6.931559      6.149655
  H      -1.484868     -6.049613      4.857149
  H      -4.018943     -7.780394      4.667750
  H      -2.437050     -8.087568      3.876880
  H      -6.918994     -7.294138      2.550043
  H      -6.054956     -7.587640      4.057406
  H      -4.884655     -6.720615      1.353975
  H      -4.591419     -8.260494      2.228803
  H      -1.881229     -4.633203      0.772479
  H      -3.584784     -5.082686      0.560505
  H      -1.602124     -6.087213      2.684770
  H      -2.365795     -7.072825      1.394120
  C       1.461362     -2.091347      1.581235
  N       0.564445     -1.230421      2.348586
  C      -0.097776     -1.902325      3.475411
  C      -1.104833     -2.995443      3.102221
  C      -2.428554     -2.641181      2.376619
  C      -2.169111     -2.002954      0.994513
  C      -3.457344     -1.587625      0.289215
  C      -4.240813     -0.585553      1.135191
  C      -4.522692     -1.169813      2.521043
  C      -3.242618     -1.635165      3.214148
  C     -10.012231     -7.569174      5.451614
  N      -8.563747     -7.659667      5.226191
  C      -7.798559     -6.564359      5.841719
  C      -7.985126     -5.192829      5.196147
  C      -7.499445     -4.953198      3.746182
  C      -8.520869     -5.462790      2.720877
  C      -8.078758     -5.192507      1.280358
  C      -7.411911     -3.818518      1.115943
  C      -7.861103     -2.885636      2.232895
  C      -7.411060     -3.413710      3.590125
  C      -1.486091     -0.398896      7.992029
  N      -1.669376     -1.574286      7.140117
  C      -1.536089     -2.843376      7.867249
  C      -1.810338     -4.052912      6.963272
  C      -3.295058     -4.543374      6.741394
  C      -3.652179     -5.592374      7.833152
  C      -3.894749     -4.996034      9.218596
  C      -4.964025     -3.863832      9.194853
  C      -5.497218     -3.627706      7.778515
  C      -4.349548     -3.389614      6.792256
  H       2.163750     -2.673470      2.213034
  H       2.050280     -1.484995      0.878552
  H       0.879194     -2.804282      0.985973
  H       1.101495     -0.450848      2.718217
  H       0.644968     -2.381740      4.152614
  H      -0.603209     -1.128495      4.068862
  H      -0.592734     -3.776917      2.520503
  H      -1.405013     -3.470990      4.054291
  H      -1.585836     -2.691175      0.364630
  H      -1.523370     -1.121915      1.147217
  H      -3.224280     -1.153433     -0.696618
  H      -4.083694     -2.480733      0.114335
  H      -5.186014     -0.314065      0.641652
  H      -3.651106      0.347110      1.230067
  H      -5.044425     -0.437820      3.149992
  H      -5.191658     -2.034984      2.412740
  H      -3.477451     -2.092738      4.196098
  H      -2.610958     -0.757317      3.431611
  H     -10.284876     -7.402797      6.517629
  H     -10.446546     -6.735674      4.863432
  H     -10.496339     -8.505825      5.107661
  H      -8.221004     -8.546286      5.617510
  H      -8.052521     -6.446136      6.918242
  H      -6.724352     -6.824286      5.803290
  H      -7.419052     -4.487998      5.832849
  H      -9.042740     -4.879579      5.270129
  H      -8.721894     -6.525333      2.876354
  H      -9.473819     -4.947627      2.924265
  H      -8.961007     -5.263106      0.632045
  H      -7.383649     -5.973895      0.945403
  H      -7.651003     -3.395385      0.136470
  H      -6.315879     -3.917083      1.167315
  H      -8.960538     -2.792668      2.218000
  H      -7.468187     -1.875912      2.080941
  H      -6.342073     -3.142967      3.756398
  H      -7.987108     -2.919722      4.387076
  H      -2.343676     -0.323604      8.700145
  H      -1.472718      0.521813      7.372152
  H      -0.547284     -0.419858      8.588595
  H      -0.965985     -1.558527      6.383810
  H      -2.241670     -2.812529      8.717079
  H      -0.515965     -2.945894      8.315950
  H      -1.368517     -3.819250      5.982460
  H      -1.225386     -4.918602      7.347392
  H      -2.841556     -6.347870      7.909557
  H      -4.562203     -6.136379      7.497898
  H      -4.211697     -5.809133      9.892941
  H      -2.935441     -4.618126      9.630128
  H      -5.805242     -4.117448      9.859880
  H      -4.527745     -2.921110      9.578102
  H      -6.192711     -2.767390      7.763800
  H      -6.094188     -4.507395      7.464699
  H      -3.858828     -2.423046      6.998155
  H      -4.776496     -3.294155      5.767195
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5661750-81eQ/orca E -5767.898913083001
  N      -3.224030     -3.896755      2.292532
  C      -2.792354     -4.918174      1.338393
  C      -2.508194     -6.221825      2.078789
  N      -3.625857     -6.522380      3.023966
  C      -4.772534     -7.189178      2.341187
  C      -6.050430     -6.956763      3.137174
  N      -6.148347     -5.533371      3.474995
  Mo     -4.362416     -4.663712      3.754231
  N      -3.391615     -5.192138      5.392467
  C      -2.505933     -6.354347      5.213909
  C      -3.137232     -7.303687      4.204669
  H      -2.339793     -6.926811      6.145745
  H      -1.495570     -6.048469      4.863985
  H      -4.015218     -7.785396      4.659838
  H      -2.433241     -8.091521      3.877973
  H      -6.900334     -7.315333      2.531010
  H      -6.044073     -7.612190      4.033200
  H      -4.866112     -6.725770      1.347457
  H      -4.569360     -8.269608      2.210567
  H      -1.874659     -4.638334      0.788482
  H      -3.567507     -5.086636      0.562187
  H      -1.601239     -6.093703      2.686212
  H      -2.357105     -7.079105      1.396189
  C       1.486944     -2.134620      1.578728
  N       0.598671     -1.257290      2.333533
  C      -0.071871     -1.922970      3.454039
  C      -1.088152     -3.010836      3.083782
  C      -2.424857     -2.652559      2.376909
  C      -2.192650     -2.013970      0.989591
  C      -3.496999     -1.587083      0.312195
  C      -4.249783     -0.581090      1.184178
  C      -4.506970     -1.163468      2.573511
  C      -3.214314     -1.648210      3.238503
  C      -9.990392     -7.620256      5.441997
  N      -8.554619     -7.715540      5.192377
  C      -7.780843     -6.646262      5.828295
  C      -7.969269     -5.257389      5.219212
  C      -7.494905     -4.975161      3.762026
  C      -8.527785     -5.448989      2.716304
  C      -8.094245     -5.128493      1.271363
  C      -7.405772     -3.747295      1.148997
  C      -7.834876     -2.838267      2.300982
  C      -7.394222     -3.419865      3.652864
  C      -1.499107     -0.375851      7.940626
  N      -1.696511     -1.554685      7.097844
  C      -1.574549     -2.810220      7.845305
  C      -1.839488     -4.036411      6.960925
  C      -3.307768     -4.535729      6.736930
  C      -3.679202     -5.562156      7.841936
  C      -3.938395     -4.944563      9.221209
  C      -4.996154     -3.810519      9.169177
  C      -5.504212     -3.598479      7.741685
  C      -4.351347     -3.385321      6.760273
  H       2.178550     -2.726407      2.214592
  H       2.090697     -1.534482      0.883950
  H       0.897480     -2.845158      0.979367
  H       1.147905     -0.480162      2.705790
  H       0.668796     -2.407929      4.130013
  H      -0.569617     -1.141647      4.047911
  H      -0.583690     -3.793187      2.492047
  H      -1.377100     -3.488615      4.038277
  H      -1.630250     -2.702992      0.341664
  H      -1.536215     -1.141840      1.134117
  H      -3.283581     -1.155612     -0.679058
  H      -4.137235     -2.470138      0.145015
  H      -5.204952     -0.298112      0.710651
  H      -3.647539      0.341323      1.275230
  H      -5.007485     -0.428548      3.224132
  H      -5.190463     -2.018669      2.467154
  H      -3.428421     -2.107187      4.223270
  H      -2.568692     -0.781710      3.452678
  H     -10.253394     -7.485338      6.513122
  H     -10.411794     -6.769580      4.888110
  H     -10.487612     -8.531412      5.080437
  H      -8.221178     -8.612995      5.548450
  H      -8.025448     -6.558137      6.914995
  H      -6.712980     -6.907771      5.767537
  H      -7.397878     -4.571797      5.866645
  H      -9.024358     -4.942601      5.316885
  H      -8.737250     -6.523261      2.836917
  H      -9.475778     -4.932666      2.943909
  H      -8.984127     -5.165803      0.619554
  H      -7.413525     -5.911857      0.903095
  H      -7.640699     -3.284610      0.175371
  H      -6.310933     -3.867606      1.195795
  H      -8.933836     -2.727911      2.285976
  H      -7.422472     -1.821460      2.180015
  H      -6.324167     -3.153581      3.828018
  H      -7.965566     -2.948274      4.472295
  H      -2.343054     -0.286203      8.646380
  H      -1.479416      0.532960      7.319571
  H      -0.565305     -0.401366      8.538877
  H      -0.999365     -1.550175      6.343623
  H      -2.285976     -2.758373      8.687745
  H      -0.565885     -2.909989      8.307321
  H      -1.400436     -3.823156      5.973416
  H      -1.256906     -4.882839      7.364673
  H      -2.878263     -6.313985      7.936192
  H      -4.579656     -6.105927      7.505428
  H      -4.267161     -5.743192      9.905511
  H      -2.990886     -4.565938      9.638309
  H      -5.845364     -4.047116      9.829994
  H      -4.563031     -2.865609      9.541037
  H      -6.191510     -2.737642      7.704301
  H      -6.096687     -4.478132      7.438189
  H      -3.862141     -2.419057      6.951490
  H      -4.763078     -3.310054      5.729222
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5661750-81eQ/orca E -5767.898046783801
  N      -3.206500     -3.899204      2.313486
  C      -2.764429     -4.911983      1.356057
  C      -2.496931     -6.223415      2.087254
  N      -3.621370     -6.525004      3.018689
  C      -4.759430     -7.187672      2.324649
  C      -6.045796     -6.964774      3.108109
  N      -6.149602     -5.546034      3.456848
  Mo     -4.366104     -4.670651      3.751862
  N      -3.396406     -5.198352      5.387677
  C      -2.515437     -6.358903      5.210599
  C      -3.142294     -7.307451      4.197282
  H      -2.357194     -6.929842      6.135096
  H      -1.509218     -6.054131      4.870878
  H      -4.019344     -7.787759      4.646614
  H      -2.439073     -8.095154      3.873239
  H      -6.884986     -7.316335      2.489641
  H      -6.050398     -7.628486      3.993490
  H      -4.846182     -6.716533      1.337477
  H      -4.553026     -8.266870      2.186654
  H      -1.839063     -4.631672      0.828415
  H      -3.521799     -5.069347      0.566491
  H      -1.597402     -6.104221      2.700586
  H      -2.345090     -7.076747      1.400430
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  N       0.598080     -1.232831      2.326722
  C      -0.048293     -1.916064      3.448273
  C      -1.063679     -3.002016      3.081949
  C      -2.416371     -2.648094      2.397131
  C      -2.209292     -1.993463      1.012519
  C      -3.523481     -1.571591      0.358219
  C      -4.275131     -0.582305      1.252356
  C      -4.507196     -1.184671      2.635620
  C      -3.203026     -1.659622      3.277937
  C      -9.954015     -7.560430      5.435322
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  C      -7.755061     -6.601678      5.836370
  C      -7.947015     -5.238339      5.202868
  C      -7.491254     -4.985725      3.747340
  C      -8.543834     -5.466969      2.734493
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  N      -1.701619     -1.597569      7.091468
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  C      -3.707859     -5.552595      7.839162
  C      -3.962008     -4.919709      9.214469
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  C      -5.479417     -3.549083      7.718060
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  H       2.175468     -2.704336      2.170340
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  H       1.148491     -0.461916      2.704073
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  H      -0.542168     -1.142734      4.062263
  H      -0.563448     -3.776446      2.475351
  H      -1.330465     -3.487877      4.035441
  H      -1.651157     -2.671805      0.347874
  H      -1.559881     -1.116887      1.156105
  H      -3.325994     -1.126658     -0.627681
  H      -4.154302     -2.459350      0.188930
  H      -5.237442     -0.303948      0.795561
  H      -3.684020      0.345825      1.347961
  H      -5.007256     -0.462362      3.301577
  H      -5.181025     -2.049113      2.529830
  H      -3.401483     -2.128098      4.258772
  H      -2.564067     -0.787069      3.489910
  H     -10.224419     -7.399239      6.503341
  H     -10.365476     -6.723371      4.858170
  H     -10.448647     -8.471527      5.085278
  H      -8.196886     -8.558572      5.578668
  H      -8.002376     -6.493151      6.915640
  H      -6.691249     -6.860712      5.790469
  H      -7.373804     -4.543625      5.831975
  H      -8.998988     -4.929326      5.296287
  H      -8.754599     -6.530222      2.879545
  H      -9.485485     -4.941240      2.962381
  H      -9.033125     -5.221546      0.657578
  H      -7.462372     -5.974109      0.927281
  H      -7.692595     -3.375502      0.156674
  H      -6.347351     -3.943490      1.158781
  H      -8.945842     -2.765248      2.257526
  H      -7.435654     -1.885336      2.109774
  H      -6.328328     -3.189782      3.766976
  H      -7.951045     -2.959357      4.404861
  H      -2.346207     -0.335710      8.629043
  H      -1.448157      0.463361      7.329008
  H      -0.576021     -0.497524      8.569426
  H      -1.003472     -1.597596      6.355117
  H      -2.331340     -2.784206      8.664134
  H      -0.615821     -2.955555      8.336112
  H      -1.415810     -3.855540      5.981514
  H      -1.280796     -4.894082      7.383871
  H      -2.930233     -6.316117      7.944530
  H      -4.613298     -6.074744      7.498713
  H      -4.318935     -5.702375      9.901082
  H      -3.011716     -4.565041      9.635508
  H      -5.842891     -3.960322      9.810006
  H      -4.523420     -2.821725      9.510312
  H      -6.139368     -2.669631      7.669537
  H      -6.094791     -4.413866      7.422608
  H      -3.809128     -2.425296      6.922084
  H      -4.725899     -3.311006      5.705263
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5661750-81eQ/orca E -5767.899821456640
  N      -3.204320     -3.901955      2.318711
  C      -2.749122     -4.916177      1.368366
  C      -2.490017     -6.226249      2.106085
  N      -3.626016     -6.524708      3.028126
  C      -4.759541     -7.184367      2.319885
  C      -6.052412     -6.965196      3.094224
  N      -6.157256     -5.547524      3.450605
  Mo     -4.377108     -4.669693      3.751747
  N      -3.417839     -5.193763      5.396486
  C      -2.540162     -6.363292      5.233006
  C      -3.163142     -7.309132      4.215249
  H      -2.395742     -6.934652      6.166832
  H      -1.522722     -6.067074      4.900898
  H      -4.051549     -7.782445      4.656562
  H      -2.461094     -8.103211      3.900626
  H      -6.889223     -7.313022      2.464780
  H      -6.066296     -7.635549      3.978313
  H      -4.836676     -6.707802      1.331589
  H      -4.552062     -8.262777      2.178753
  H      -1.813696     -4.636131      0.852509
  H      -3.496984     -5.073813      0.565473
  H      -1.593874     -6.108517      2.729831
  H      -2.332814     -7.080882      1.421913
  C       1.475406     -2.116006      1.539136
  N       0.596473     -1.242337      2.310161
  C      -0.051873     -1.909707      3.443009
  C      -1.067204     -3.001249      3.086868
  C      -2.417912     -2.648466      2.401919
  C      -2.210091     -1.995867      1.016341
  C      -3.524473     -1.569031      0.362809
  C      -4.271850     -0.575293      1.255746
  C      -4.505383     -1.174330      2.641336
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  C      -9.960065     -7.654702      5.424420
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  C      -7.964877     -5.283408      5.206478
  C      -7.501973     -4.995755      3.750238
  C      -8.543965     -5.465061      2.714370
  C      -8.122896     -5.143791      1.269763
  C      -7.424994     -3.771293      1.144583
  C      -7.841238     -2.859312      2.294856
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  C      -1.406691     -0.414662      7.906826
  N      -1.663519     -1.587232      7.076575
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  C      -1.858972     -4.059224      6.964607
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  C      -3.988686     -4.895607      9.218800
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  C      -5.497786     -3.513468      7.717765
  C      -4.335597     -3.351566      6.740160
  H       2.175670     -2.710833      2.165576
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  H       1.146731     -0.464817      2.673842
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  H      -0.566944     -3.778268      2.484442
  H      -1.336724     -3.483717      4.043379
  H      -1.655010     -2.677389      0.352330
  H      -1.556966     -1.121182      1.157593
  H      -3.326610     -1.126972     -0.625641
  H      -4.159469     -2.454736      0.196016
  H      -5.233647     -0.293063      0.798682
  H      -3.675758      0.350172      1.348698
  H      -5.002259     -0.449927      3.307182
  H      -5.184105     -2.033954      2.535969
  H      -3.398854     -2.122422      4.266393
  H      -2.559395     -0.785539      3.491894
  H     -10.222788     -7.517553      6.495959
  H     -10.390462     -6.810910      4.867435
  H     -10.447838     -8.570576      5.065897
  H      -8.184466     -8.632426      5.530493
  H      -8.003855     -6.580992      6.899208
  H      -6.692769     -6.916638      5.751680
  H      -7.399293     -4.594260      5.852883
  H      -9.021580     -4.980924      5.305741
  H      -8.750159     -6.537733      2.834932
  H      -9.490438     -4.949869      2.949413
  H      -9.019763     -5.169816      0.628357
  H      -7.452781     -5.931058      0.892529
  H      -7.662161     -3.306844      0.174511
  H      -6.331035     -3.901753      1.185099
  H      -8.938541     -2.736086      2.282063
  H      -7.419843     -1.849487      2.171623
  H      -6.340627     -3.176624      3.830388
  H      -7.982424     -2.977162      4.457111
  H      -2.231483     -0.283310      8.621825
  H      -1.359688      0.483169      7.277535
  H      -0.467545     -0.478558      8.496112
  H      -0.979468     -1.618858      6.317155
  H      -2.305952     -2.756340      8.668208
  H      -0.588523     -2.953612      8.322135
  H      -1.415972     -3.860561      5.975647
  H      -1.293932     -4.907877      7.376870
  H      -2.962031     -6.304325      7.953897
  H      -4.647492     -6.049293      7.505246
  H      -4.352706     -5.676811      9.903815
  H      -3.034952     -4.547465      9.644024
  H      -5.864673     -3.926625      9.808950
  H      -4.540828     -2.793489      9.514326
  H      -6.154335     -2.630293      7.668116
  H      -6.118618     -4.375588      7.420452
  H      -3.817785     -2.397823      6.920690
  H      -4.739400     -3.284257      5.705754
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5661750-81eQ/orca E -5767.900249268399
  N      -3.207314     -3.897472      2.326554
  C      -2.741274     -4.911124      1.382140
  C      -2.484699     -6.218499      2.121414
  N      -3.623652     -6.514765      3.037952
  C      -4.748988     -7.177046      2.322418
  C      -6.047629     -6.965144      3.086634
  N      -6.160122     -5.550718      3.446117
  Mo     -4.388328     -4.661806      3.753544
  N      -3.433451     -5.181073      5.403493
  C      -2.553396     -6.348507      5.246959
  C      -3.168344     -7.296447      4.227852
  H      -2.413166     -6.916116      6.182421
  H      -1.535815     -6.051961      4.919834
  H      -4.059829     -7.767398      4.663342
  H      -2.465056     -8.091487      3.918911
  H      -6.877199     -7.311974      2.448939
  H      -6.068797     -7.637335      3.966771
  H      -4.821670     -6.698225      1.335943
  H      -4.533835     -8.253360      2.179159
  H      -1.801423     -4.630815      0.878522
  H      -3.477031     -5.068639      0.570722
  H      -1.591776     -6.100219      2.747497
  H      -2.324455     -7.074489      1.439932
  C       1.478806     -2.122430      1.540428
  N       0.601886     -1.234269      2.294839
  C      -0.058034     -1.887040      3.427646
  C      -1.069536     -2.984480      3.077569
  C      -2.424765     -2.641079      2.396835
  C      -2.228180     -2.003030      1.003080
  C      -3.553429     -1.587268      0.355255
  C      -4.296397     -0.588919      1.240288
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  C      -9.970841     -7.708960      5.387451
  N      -8.535536     -7.782837      5.129989
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  C      -7.506968     -5.011380      3.752402
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  C      -1.289582     -0.441279      7.941585
  N      -1.614696     -1.596469      7.113923
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  C      -5.500356     -3.454763      7.713240
  C      -4.334979     -3.317505      6.733779
  H       2.166160     -2.722141      2.175957
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  H       0.880930     -2.828136      0.941315
  H       1.156178     -0.453543      2.653386
  H       0.689299     -2.358943      4.105230
  H      -0.555086     -1.099785      4.013549
  H      -0.566776     -3.759555      2.477115
  H      -1.334157     -3.467948      4.036740
  H      -1.680285     -2.691156      0.344778
  H      -1.570981     -1.126916      1.125687
  H      -3.364283     -1.154513     -0.642138
  H      -4.191618     -2.477061      0.206030
  H      -5.265608     -0.315443      0.787736
  H      -3.697858      0.339258      1.314859
  H      -5.010603     -0.448501      3.298731
  H      -5.198036     -2.036008      2.548633
  H      -3.388720     -2.095614      4.261695
  H      -2.558470     -0.769637      3.455083
  H     -10.231359     -7.592050      6.462980
  H     -10.405662     -6.857430      4.848900
  H     -10.457577     -8.620106      5.014238
  H      -8.191067     -8.681621      5.467098
  H      -8.012724     -6.652819      6.873302
  H      -6.701079     -6.966386      5.714962
  H      -7.415833     -4.642193      5.866109
  H      -9.032316     -5.026136      5.302559
  H      -8.742005     -6.552295      2.816140
  H      -9.495171     -4.972228      2.951214
  H      -9.024067     -5.149407      0.626254
  H      -7.458650     -5.916126      0.873759
  H      -7.656312     -3.284312      0.191824
  H      -6.330202     -3.894891      1.198672
  H      -8.937204     -2.731951      2.302581
  H      -7.412937     -1.849038      2.207336
  H      -6.353223     -3.182071      3.870110
  H      -8.004317     -3.003108      4.482265
  H      -2.095233     -0.280815      8.679746
  H      -1.221557      0.461197      7.313799
  H      -0.335841     -0.549974      8.504599
  H      -0.947174     -1.654904      6.340606
  H      -2.293284     -2.768755      8.687439
  H      -0.574102     -2.996474      8.351588
  H      -1.418767     -3.853075      5.989990
  H      -1.306150     -4.925047      7.371776
  H      -3.009444     -6.294416      7.963767
  H      -4.692230     -6.005303      7.509225
  H      -4.398567     -5.633039      9.906591
  H      -3.053818     -4.530424      9.649879
  H      -5.871026     -3.848042      9.811180
  H      -4.525904     -2.741066      9.504327
  H      -6.143318     -2.560809      7.658855
  H      -6.135721     -4.308747      7.420357
  H      -3.805260     -2.368545      6.905056
  H      -4.738332     -3.258000      5.698838
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5661750-81eQ/orca E -5767.900842047725
  N      -3.188835     -3.902856      2.347590
  C      -2.692793     -4.911114      1.411988
  C      -2.460345     -6.222407      2.153030
  N      -3.622823     -6.516848      3.042321
  C      -4.733501     -7.166471      2.290732
  C      -6.050539     -6.969383      3.027091
  N      -6.167667     -5.562270      3.413927
  Mo     -4.404067     -4.667813      3.749506
  N      -3.473938     -5.188894      5.414051
  C      -2.601294     -6.366055      5.276267
  C      -3.203410     -7.305847      4.241153
  H      -2.488603     -6.936003      6.217347
  H      -1.570746     -6.080427      4.971474
  H      -4.112170     -7.766884      4.654664
  H      -2.501698     -8.108770      3.947921
  H      -6.865577     -7.299444      2.358714
  H      -6.097713     -7.662480      3.891921
  H      -4.781981     -6.668036      1.310504
  H      -4.514536     -8.239974      2.132609
  H      -1.733085     -4.629143      0.945369
  H      -3.398070     -5.060685      0.570656
  H      -1.579717     -6.111602      2.801285
  H      -2.288263     -7.076314      1.471408
  C       1.474971     -2.103539      1.539220
  N       0.596114     -1.217827      2.291210
  C      -0.053468     -1.869280      3.430388
  C      -1.056381     -2.973901      3.084732
  C      -2.418401     -2.637303      2.414588
  C      -2.235717     -1.995334      1.019355
  C      -3.564906     -1.571917      0.387072
  C      -4.302733     -0.577210      1.285340
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  C      -3.192736     -1.642526      3.296438
  C      -9.924535     -7.782200      5.397556
  N      -8.492192     -7.834271      5.122056
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  C      -7.513433     -5.032570      3.744772
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  C      -1.146799     -0.464779      7.859809
  N      -1.565057     -1.623392      7.073018
  C      -1.561486     -2.866771      7.852004
  C      -1.890185     -4.088175      6.977662
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  H      -8.018445     -3.035808      4.501939
  H      -1.901898     -0.250338      8.633736
  H      -1.069880      0.419191      7.210736
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  H      -1.439399     -3.900997      5.985948
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  H      -4.777168     -5.951197      7.513613
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107
Coordinates from ORCA-job /scratch/magstr/orcajob__5661750-81eQ/orca E -5767.901194806851
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  C      -2.667683     -4.925369      1.439618
  C      -2.449982     -6.236012      2.187335
  N      -3.625644     -6.523219      3.061597
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  C      -3.231842     -7.315192      4.266930
  H      -2.538648     -6.949850      6.250653
  H      -1.597059     -6.104666      5.013524
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  H      -1.576834     -6.128022      2.846825
  H      -2.272476     -7.092063      1.510077
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  H      -2.311848     -2.743645      8.677969
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107
Coordinates from ORCA-job /scratch/magstr/orcajob__5661750-81eQ/orca E -5767.901531320771
  N      -3.162439     -3.911388      2.380377
  C      -2.636524     -4.917803      1.456331
  C      -2.440104     -6.235689      2.200302
  N      -3.633200     -6.523912      3.050546
  C      -4.723234     -7.152332      2.251338
  C      -6.062618     -6.965672      2.947059
  N      -6.178872     -5.570015      3.370606
  Mo     -4.424103     -4.672038      3.746578
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  C      -3.268808     -7.322048      4.259901
  H      -2.606353     -6.968623      6.255835
  H      -1.635320     -6.129872      5.038994
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  H      -4.734661     -6.630462      1.282756
  H      -4.504395     -8.223456      2.076599
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  H      -3.303766     -5.055445      0.581828
  H      -1.578733     -6.134610      2.877012
  H      -2.253942     -7.087361      1.519699
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  H      -8.057417     -3.084348      4.514941
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  H      -0.919750      0.332043      7.138420
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  H      -0.905151     -1.841402      6.246048
  H      -2.330110     -2.735512      8.641516
  H      -0.619543     -3.086520      8.375495
  H      -1.479705     -3.943504      5.994570
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  H      -3.248614     -6.265589      7.997135
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  H      -4.607767     -5.454972      9.907360
  H      -3.165907     -4.484657      9.661443
  H      -5.887481     -3.535112      9.787186
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  H      -6.061958     -2.302151      7.599431
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  H      -3.736077     -2.321145      6.820076
  H      -4.740201     -3.199413      5.653736
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5661750-81eQ/orca E -5767.901673547152
  N      -3.152967     -3.914014      2.369956
  C      -2.636233     -4.928550      1.450575
  C      -2.430656     -6.239048      2.200090
  N      -3.619452     -6.522646      3.053007
  C      -4.709277     -7.146733      2.251574
  C      -6.048916     -6.953359      2.940737
  N      -6.157847     -5.560527      3.368319
  Mo     -4.404353     -4.666308      3.748681
  N      -3.527150     -5.203380      5.436128
  C      -2.674081     -6.397189      5.319698
  C      -3.259131     -7.320651      4.261006
  H      -2.602075     -6.973577      6.258901
  H      -1.631536     -6.130130      5.049398
  H      -4.190554     -7.760651      4.641467
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  H      -6.838944     -7.241815      2.228765
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  H      -1.662276     -4.653264      1.018025
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  H      -2.245192     -7.094688      1.524819
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  H      -9.519915     -4.990119      3.053212
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  H      -7.629050     -5.852064      0.820608
  H      -7.776059     -3.204850      0.273217
  H      -6.428363     -3.882584      1.197293
  H      -8.956679     -2.683838      2.433594
  H      -7.418576     -1.846820      2.312289
  H      -6.373240     -3.210790      3.945079
  H      -8.014470     -3.081169      4.548226
  H      -1.754265     -0.302926      8.654081
  H      -0.918013      0.306447      7.214640
  H      -0.056434     -0.757294      8.378339
  H      -0.918406     -1.863486      6.301272
  H      -2.367635     -2.766329      8.674930
  H      -0.652996     -3.123197      8.436620
  H      -1.485005     -3.948396      6.033843
  H      -1.435005     -5.019993      7.429728
  H      -3.291919     -6.287203      8.015297
  H      -4.925986     -5.853310      7.508752
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  H      -3.229837     -4.514112      9.682298
  H      -5.940175     -3.527525      9.766704
  H      -4.492536     -2.586155      9.414202
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  H      -3.754688     -2.333131      6.805661
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107
Coordinates from ORCA-job /scratch/magstr/orcajob__5661750-81eQ/orca E -5767.901982829374
  N      -3.156906     -3.919122      2.380102
  C      -2.637534     -4.934951      1.463132
  C      -2.431211     -6.243447      2.215378
  N      -3.623536     -6.529584      3.063481
  C      -4.709827     -7.155599      2.258068
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  Mo     -4.411041     -4.673673      3.758050
  N      -3.538946     -5.211465      5.448860
  C      -2.683115     -6.401385      5.331991
  C      -3.264463     -7.326445      4.272372
  H      -2.608344     -6.976794      6.269949
  H      -1.643173     -6.130489      5.061723
  H      -4.195033     -7.768874      4.651163
  H      -2.567931     -8.142801      4.006498
  H      -6.840475     -7.247859      2.221176
  H      -6.154442     -7.680448      3.772890
  H      -4.711164     -6.637135      1.289887
  H      -4.491742     -8.227016      2.087450
  H      -1.663608     -4.658475      1.028634
  H      -3.312767     -5.084395      0.600678
  H      -1.572143     -6.131353      2.889907
  H      -2.240102     -7.099143      1.541291
  C       1.467844     -1.999581      1.513936
  N       0.562465     -1.142960      2.269756
  C      -0.052281     -1.811328      3.419783
  C      -1.022920     -2.944024      3.076468
  C      -2.398896     -2.642028      2.414638
  C      -2.243403     -2.035132      1.001394
  C      -3.585713     -1.634759      0.385678
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  C      -9.871849     -7.867617      5.327936
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  H      -5.295434     -0.363302      0.839302
  H      -3.727663      0.305378      1.325227
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  H      -8.069526     -8.801520      5.292715
  H      -7.906578     -6.841026      6.799646
  H      -6.611445     -7.086889      5.615063
  H      -7.344227     -4.781803      5.868576
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  H      -9.167926     -5.017701      0.699708
  H      -7.615709     -5.839440      0.798026
  H      -7.754959     -3.186309      0.269565
  H      -6.415111     -3.870481      1.203047
  H      -8.955891     -2.684898      2.428920
  H      -7.413785     -1.843090      2.328199
  H      -6.382004     -3.218738      3.961973
  H      -8.029989     -3.098279      4.555331
  H      -1.723246     -0.274621      8.615406
  H      -0.877410      0.313822      7.163869
  H      -0.024398     -0.746424      8.339063
  H      -0.898140     -1.868018      6.273202
  H      -2.336715     -2.745225      8.665754
  H      -0.624747     -3.111636      8.407513
  H      -1.488542     -3.956323      6.016557
  H      -1.430692     -5.018367      7.417012
  H      -3.277249     -6.277486      8.027570
  H      -4.920987     -5.844181      7.552548
  H      -4.629457     -5.435052      9.944483
  H      -3.177470     -4.481698      9.684049
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  H      -3.756575     -2.329007      6.804385
  H      -4.764729     -3.222843      5.661678
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5661750-81eQ/orca E -5767.902015239262
  N      -3.133136     -3.928989      2.390198
  C      -2.597562     -4.947048      1.483575
  C      -2.415597     -6.256053      2.244446
  N      -3.630215     -6.536870      3.065836
  C      -4.707695     -7.152353      2.240025
  C      -6.060449     -6.953885      2.906739
  N      -6.166544     -5.564401      3.349817
  Mo     -4.411754     -4.675723      3.745816
  N      -3.554737     -5.204388      5.442708
  C      -2.718465     -6.414972      5.347990
  C      -3.300287     -7.335488      4.283936
  H      -2.672629     -6.990170      6.293093
  H      -1.664373     -6.166131      5.094993
  H      -4.244133     -7.763859      4.651374
  H      -2.610941     -8.164250      4.033437
  H      -6.839913     -7.226780      2.173268
  H      -6.179171     -7.684135      3.730892
  H      -4.690656     -6.627991      1.273368
  H      -4.495099     -8.224655      2.067045
  H      -1.608685     -4.674353      1.069772
  H      -3.257327     -5.093920      0.602961
  H      -1.570944     -6.146811      2.941331
  H      -2.211795     -7.112937      1.575446
  C       1.474266     -2.001989      1.461331
  N       0.573940     -1.143443      2.225396
  C      -0.025593     -1.802582      3.390795
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  C      -9.839362     -7.918218      5.335818
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  H      -3.774415      0.297040      1.381795
  H      -4.991599     -0.496507      3.413925
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  H      -8.030927     -8.837165      5.274833
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  H      -7.321752     -4.813188      5.870362
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  H      -7.610236     -5.811231      0.789846
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  H      -6.391561     -3.211493      4.001166
  H      -8.053834     -3.116958      4.582767
  H      -1.730840     -0.291157      8.601776
  H      -0.833846      0.285155      7.174041
  H      -0.024520     -0.779590      8.377560
  H      -0.853471     -1.889987      6.289066
  H      -2.335844     -2.748337      8.656759
  H      -0.630723     -3.143532      8.414363
  H      -1.489517     -3.976656      6.020034
  H      -1.463045     -5.033059      7.422298
  H      -3.339130     -6.249331      8.021190
  H      -4.968286     -5.791044      7.523099
  H      -4.707572     -5.385813      9.909623
  H      -3.231319     -4.466676      9.678853
  H      -5.910111     -3.414491      9.758153
  H      -4.440850     -2.515269      9.395797
  H      -6.035492     -2.204512      7.552381
  H      -6.247241     -3.946080      7.377656
  H      -3.721294     -2.303608      6.771678
  H      -4.743648     -3.175169      5.623819
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5661750-81eQ/orca E -5767.902319825131
  N      -3.133156     -3.924917      2.394986
  C      -2.609095     -4.946354      1.485996
  C      -2.419189     -6.253730      2.246703
  N      -3.630290     -6.535759      3.070568
  C      -4.708778     -7.146910      2.243022
  C      -6.060912     -6.943430      2.906275
  N      -6.160781     -5.554751      3.353974
  Mo     -4.404328     -4.674455      3.760930
  N      -3.555795     -5.220772      5.458117
  C      -2.719478     -6.428725      5.354827
  C      -3.300977     -7.341306      4.283386
  H      -2.673980     -7.011038      6.295627
  H      -1.664977     -6.177769      5.104398
  H      -4.244628     -7.772572      4.647669
  H      -2.612016     -8.168332      4.028229
  H      -6.838835     -7.210036      2.169307
  H      -6.185371     -7.674928      3.727731
  H      -4.688940     -6.623247      1.276764
  H      -4.499792     -8.219938      2.070138
  H      -1.628501     -4.674530      1.056952
  H      -3.280184     -5.097698      0.616508
  H      -1.572716     -6.141136      2.939538
  H      -2.216394     -7.110790      1.577625
  C       1.480158     -1.967099      1.504522
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  C      -9.861230     -7.898794      5.312760
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  H       1.071786     -0.301816      2.597670
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  H      -4.977816     -0.474517      3.360657
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  H      -9.522286     -4.992889      3.047750
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  H      -6.413956     -3.838136      1.235102
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  H      -7.412956     -1.822947      2.379049
  H      -6.386247     -3.208927      4.005088
  H      -8.042622     -3.111056      4.593490
  H      -1.763638     -0.267740      8.534572
  H      -0.897354      0.294240      7.089973
  H      -0.060250     -0.727074      8.304644
  H      -0.882447     -1.904283      6.243069
  H      -2.355220     -2.730349      8.638665
  H      -0.646756     -3.111766      8.403225
  H      -1.493651     -3.996171      6.017470
  H      -1.455386     -5.032746      7.438925
  H      -3.316319     -6.272268      8.028427
  H      -4.952455     -5.819042      7.551594
  H      -4.669014     -5.414467      9.934112
  H      -3.191308     -4.498389      9.690140
  H      -5.862966     -3.431012      9.808850
  H      -4.393624     -2.540601      9.417226
  H      -6.023450     -2.228383      7.605050
  H      -6.243947     -3.969694      7.432191
  H      -3.727704     -2.326983      6.786720
  H      -4.764550     -3.206694      5.657119
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5661750-81eQ/orca E -5767.902448409199
  N      -3.119675     -3.937771      2.397867
  C      -2.594469     -4.962190      1.492974
  C      -2.406724     -6.266319      2.257715
  N      -3.623061     -6.547838      3.071889
  C      -4.695470     -7.156523      2.236028
  C      -6.053710     -6.948131      2.886105
  N      -6.152591     -5.561724      3.339423
  Mo     -4.397533     -4.684975      3.758323
  N      -3.563741     -5.234156      5.461364
  C      -2.730002     -6.442734      5.363976
  C      -3.303070     -7.353539      4.285960
  H      -2.691879     -7.024381      6.302603
  H      -1.676122     -6.193750      5.122521
  H      -4.247865     -7.785138      4.642759
  H      -2.612302     -8.180256      4.035867
  H      -6.823762     -7.207499      2.140602
  H      -6.189852     -7.680938      3.700772
  H      -4.665678     -6.635493      1.270072
  H      -4.488003     -8.230157      2.066189
  H      -1.615862     -4.692779      1.062142
  H      -3.265283     -5.117687      0.626185
  H      -1.567121     -6.149239      2.955545
  H      -2.196680     -7.124522      1.592428
  C       1.466560     -1.896879      1.503301
  N       0.535108     -1.077003      2.268319
  C      -0.049812     -1.773791      3.417002
  C      -0.993174     -2.927392      3.070248
  C      -2.377252     -2.652973      2.415755
  C      -2.241977     -2.059030      0.995456
  C      -3.596759     -1.695963      0.387878
  C      -4.342096     -0.692650      1.269882
  C      -4.499497     -1.239035      2.688042
  C      -3.152057     -1.644015      3.281974
  C      -9.865597     -7.885478      5.281578
  N      -8.440803     -7.918329      4.965780
  C      -7.659055     -6.905363      5.678742
  C      -7.871287     -5.475048      5.201333
  C      -7.486319     -5.063232      3.751287
  C      -8.581594     -5.467421      2.742734
  C      -8.269626     -5.016798      1.302795
  C      -7.537444     -3.661563      1.245181
  C      -7.876389     -2.820579      2.473855
  C      -7.422261     -3.509526      3.766749
  C      -0.968018     -0.592157      7.811684
  N      -1.457711     -1.737069      7.059772
  C      -1.583889     -2.947835      7.873296
  C      -1.959154     -4.163993      7.016154
  C      -3.462860     -4.503369      6.766018
  C      -4.012595     -5.394772      7.908141
  C      -4.193415     -4.667439      9.250625
  C      -5.002237     -3.352338      9.104517
  C      -5.496584     -3.164859      7.667841
  C      -4.345712     -3.232788      6.660243
  H       2.200484     -2.445553      2.137730
  H       2.017500     -1.260879      0.797489
  H       0.920802     -2.642513      0.907902
  H       1.024362     -0.252859      2.612567
  H       0.743554     -2.202224      4.075609
  H      -0.581583     -1.022110      4.018577
  H      -0.444898     -3.655051      2.452223
  H      -1.219421     -3.451560      4.013663
  H      -1.707168     -2.767163      0.343226
  H      -1.601953     -1.164461      1.059015
  H      -3.453210     -1.282920     -0.622903
  H      -4.210750     -2.607347      0.285120
  H      -5.327785     -0.455105      0.839724
  H      -3.772219      0.254932      1.300097
  H      -4.990097     -0.501054      3.341532
  H      -5.154839     -2.125827      2.656235
  H      -3.273214     -2.058951      4.296413
  H      -2.532645     -0.737892      3.386912
  H     -10.080545     -7.861188      6.374923
  H     -10.335210     -7.000201      4.832397
  H     -10.354866     -8.769153      4.849140
  H      -8.071229     -8.836304      5.210513
  H      -7.878550     -6.919135      6.772034
  H      -6.593882     -7.154883      5.578773
  H      -7.264050     -4.850482      5.875989
  H      -8.917584     -5.174239      5.373809
  H      -8.753372     -6.551734      2.789732
  H      -9.520993     -4.996102      3.077685
  H      -9.219168     -4.948436      0.749032
  H      -7.668250     -5.779948      0.784681
  H      -7.800557     -3.121028      0.323530
  H      -6.449969     -3.827097      1.223803
  H      -8.966162     -2.657242      2.510549
  H      -7.423614     -1.820324      2.404109
  H      -6.375488     -3.228391      3.995891
  H      -8.015076     -3.127563      4.609221
  H      -1.717662     -0.300741      8.564353
  H      -0.821707      0.263069      7.136654
  H      -0.012760     -0.782101      8.349252
  H      -0.831243     -1.932450      6.274333
  H      -2.345901     -2.751389      8.644050
  H      -0.639007     -3.164713      8.423611
  H      -1.496194     -4.012444      6.027669
  H      -1.470996     -5.055591      7.440763
  H      -3.352199     -6.263154      8.052104
  H      -4.983546     -5.793145      7.572125
  H      -4.697358     -5.349673      9.955809
  H      -3.207690     -4.457200      9.690160
  H      -5.854577     -3.342242      9.805172
  H      -4.376254     -2.484742      9.376232
  H      -6.011750     -2.197850      7.568892
  H      -6.243978     -3.937807      7.432290
  H      -3.728098     -2.327305      6.737980
  H      -4.769196     -3.224389      5.631771
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5661750-81eQ/orca E -5767.902681258211
  N      -3.113056     -3.937340      2.406586
  C      -2.585636     -4.963167      1.504554
  C      -2.403446     -6.267079      2.271762
  N      -3.625959     -6.548262      3.076612
  C      -4.694171     -7.152572      2.233386
  C      -6.056219     -6.940303      2.874394
  N      -6.152881     -5.555770      3.334051
  Mo     -4.396776     -4.684853      3.762297
  N      -3.573155     -5.239394      5.468039
  C      -2.744975     -6.451690      5.374271
  C      -3.315256     -7.357772      4.290559
  H      -2.716129     -7.035110      6.312087
  H      -1.688202     -6.207839      5.140759
  H      -4.263197     -7.787924      4.640909
  H      -2.625569     -8.186050      4.042732
  H      -6.821349     -7.191823      2.120246
  H      -6.204066     -7.676754      3.684355
  H      -4.656256     -6.631724      1.267450
  H      -4.489557     -8.226851      2.064280
  H      -1.604772     -4.694920      1.075636
  H      -3.254690     -5.119649      0.635033
  H      -1.569203     -6.149521      2.976507
  H      -2.188019     -7.125629      1.608563
  C       1.474233     -1.884544      1.497636
  N       0.537294     -1.068328      2.261037
  C      -0.042038     -1.766124      3.411762
  C      -0.985417     -2.923341      3.067106
  C      -2.372863     -2.651626      2.417617
  C      -2.244064     -2.063672      0.993542
  C      -3.601951     -1.702771      0.389755
  C      -4.342205     -0.694359      1.272353
  C      -4.494054     -1.233086      2.693906
  C      -3.144280     -1.639127      3.284626
  C      -9.866368     -7.897220      5.285336
  N      -8.447247     -7.932147      4.954264
  C      -7.657234     -6.925451      5.665115
  C      -7.869721     -5.488683      5.198651
  C      -7.487567     -5.064911      3.750964
  C      -8.580541     -5.467972      2.739717
  C      -8.267658     -5.008224      1.302378
  C      -7.534616     -3.652869      1.253372
  C      -7.879870     -2.818416      2.484794
  C      -7.429635     -3.511122      3.777379
  C      -0.975716     -0.596248      7.789514
  N      -1.454032     -1.749289      7.042662
  C      -1.582867     -2.951632      7.866290
  C      -1.962098     -4.173548      7.018125
  C      -3.467964     -4.505452      6.769903
  C      -4.023170     -5.391136      7.912844
  C      -4.200836     -4.664562      9.253259
  C      -4.995247     -3.341093      9.104570
  C      -5.490844     -3.146259      7.669360
  C      -4.342205     -3.228692      6.660785
  H       2.215055     -2.419422      2.131420
  H       2.018889     -1.249193      0.785995
  H       0.932052     -2.640058      0.911016
  H       1.023840     -0.238837      2.602503
  H       0.756300     -2.193281      4.065393
  H      -0.573029     -1.015257      4.017497
  H      -0.436238     -3.649746      2.445318
  H      -1.206475     -3.449072      4.011207
  H      -1.711869     -2.774894      0.341233
  H      -1.603904     -1.169608      1.052791
  H      -3.464740     -1.295725     -0.624266
  H      -4.216496     -2.613762      0.293218
  H      -5.329766     -0.457806      0.844907
  H      -3.772023      0.252222      1.297048
  H      -4.980234     -0.489882      3.346974
  H      -5.151677     -2.117827      2.667091
  H      -3.260450     -2.050162      4.301498
  H      -2.523972     -0.733591      3.386757
  H     -10.067236     -7.882113      6.378825
  H     -10.337887     -7.005421      4.847590
  H     -10.363302     -8.775597      4.853109
  H      -8.076930     -8.853814      5.189810
  H      -7.868818     -6.946200      6.758779
  H      -6.592428     -7.177789      5.557119
  H      -7.257092     -4.869245      5.874905
  H      -8.916105     -5.186834      5.378686
  H      -8.749047     -6.552760      2.780372
  H      -9.521713     -5.002156      3.076839
  H      -9.217215     -4.937591      0.748215
  H      -7.665152     -5.766558      0.780070
  H      -7.793357     -3.108835      0.332406
  H      -6.446645     -3.817783      1.236188
  H      -8.971033     -2.657811      2.518034
  H      -7.427556     -1.817433      2.421633
  H      -6.382600     -3.225768      4.013813
  H      -8.029845     -3.137450      4.620807
  H      -1.734010     -0.298813      8.531451
  H      -0.823962      0.252635      7.107232
  H      -0.025927     -0.778450      8.339662
  H      -0.819774     -1.948700      6.266141
  H      -2.344261     -2.746551      8.635461
  H      -0.640531     -3.166136      8.419153
  H      -1.496921     -4.032824      6.027753
  H      -1.480259     -5.065543      7.450263
  H      -3.367385     -6.263150      8.058633
  H      -4.996383     -5.783920      7.576428
  H      -4.714440     -5.342041      9.954343
  H      -3.213748     -4.466656      9.698170
  H      -5.845782     -3.319989      9.803859
  H      -4.358578     -2.482528      9.375310
  H      -5.994552     -2.172095      7.570319
  H      -6.250828     -3.908958      7.435939
  H      -3.716150     -2.327846      6.732982
  H      -4.770214     -3.219754      5.634068
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5661750-81eQ/orca E -5767.902781148801
  N      -3.088538     -3.953178      2.427886
  C      -2.546644     -4.981271      1.536872
  C      -2.384398     -6.283782      2.311130
  N      -3.625719     -6.559720      3.090269
  C      -4.684426     -7.150183      2.225527
  C      -6.056148     -6.930938      2.844387
  N      -6.148270     -5.550495      3.322022
  Mo     -4.389887     -4.692686      3.768192
  N      -3.588378     -5.252790      5.480308
  C      -2.778150     -6.480107      5.401844
  C      -3.343818     -7.376934      4.307890
  H      -2.777436     -7.064340      6.342060
  H      -1.710807     -6.254967      5.188240
  H      -4.303351     -7.797660      4.641812
  H      -2.660071     -8.213579      4.069603
  H      -6.809654     -7.163155      2.070011
  H      -6.230997     -7.678612      3.641410
  H      -4.624843     -6.624587      1.261689
  H      -4.487430     -8.225667      2.053766
  H      -1.555961     -4.716467      1.123810
  H      -3.201809     -5.138219      0.654074
  H      -1.565307     -6.167952      3.035517
  H      -2.156613     -7.144389      1.654723
  C       1.463159     -1.814054      1.491304
  N       0.510979     -1.024711      2.265916
  C      -0.044284     -1.743174      3.416435
  C      -0.970411     -2.912605      3.069745
  C      -2.365050     -2.658886      2.429104
  C      -2.253519     -2.074717      1.001306
  C      -3.624401     -1.747576      0.405060
  C      -4.380984     -0.749047      1.282327
  C      -4.509997     -1.279645      2.711936
  C      -3.147275     -1.656045      3.294406
  C      -9.872902     -7.907059      5.247488
  N      -8.453371     -7.947510      4.916630
  C      -7.655785     -6.955572      5.641341
  C      -7.855716     -5.508799      5.196232
  C      -7.481182     -5.064872      3.751057
  C      -8.576402     -5.453721      2.734832
  C      -8.267211     -4.967969      1.303293
  C      -7.527993     -3.612356      1.275615
  C      -7.871251     -2.794985      2.519591
  C      -7.422635     -3.509571      3.803352
  C      -0.956751     -0.615209      7.728336
  N      -1.427787     -1.783087      6.996375
  C      -1.572123     -2.965561      7.845966
  C      -1.966902     -4.198467      7.020893
  C      -3.476077     -4.508397      6.774809
  C      -4.048428     -5.374256      7.920742
  C      -4.216580     -4.639978      9.254701
  C      -4.972457     -3.295642      9.095271
  C      -5.468195     -3.096587      7.661506
  C      -4.325964     -3.218095      6.651565
  H       2.224371     -2.330160      2.117490
  H       1.984635     -1.163682      0.775828
  H       0.936772     -2.582077      0.907796
  H       0.980271     -0.187090      2.609877
  H       0.767692     -2.162341      4.058741
  H      -0.583824     -1.008795      4.034635
  H      -0.413696     -3.627205      2.441424
  H      -1.177575     -3.444579      4.014166
  H      -1.709541     -2.778535      0.352023
  H      -1.631702     -1.165866      1.051116
  H      -3.506046     -1.345830     -0.615266
  H      -4.220527     -2.673998      0.324410
  H      -5.378508     -0.540104      0.861365
  H      -3.831886      0.211944      1.290117
  H      -5.005702     -0.541491      3.360711
  H      -5.151971     -2.177212      2.700048
  H      -3.247459     -2.063824      4.316110
  H      -2.540868     -0.740412      3.386187
  H     -10.076241     -7.911370      6.340605
  H     -10.335116     -7.002932      4.827185
  H     -10.377457     -8.772260      4.797910
  H      -8.090153     -8.875605      5.137872
  H      -7.867587     -6.989932      6.735607
  H      -6.592348     -7.214628      5.529505
  H      -7.228644     -4.905917      5.875262
  H      -8.896636     -5.197000      5.391215
  H      -8.744571     -6.540166      2.757421
  H      -9.516932     -4.994308      3.082518
  H      -9.219055     -4.884849      0.751963
  H      -7.669215     -5.719171      0.765812
  H      -7.782810     -3.053498      0.360353
  H      -6.439939     -3.781338      1.259414
  H      -8.962638     -2.631987      2.554077
  H      -7.414633     -1.793359      2.471955
  H      -6.375037     -3.226757      4.043398
  H      -8.022023     -3.150963      4.654595
  H      -1.724032     -0.298759      8.451964
  H      -0.789844      0.218120      7.031537
  H      -0.018481     -0.788603      8.298440
  H      -0.781604     -1.999289      6.234426
  H      -2.330699     -2.732702      8.611090
  H      -0.636295     -3.181469      8.404963
  H      -1.497137     -4.085576      6.027139
  H      -1.502743     -5.090544      7.471757
  H      -3.407530     -6.254796      8.074643
  H      -5.026739     -5.753110      7.583639
  H      -4.753933     -5.300659      9.951082
  H      -3.226999     -4.469578      9.709471
  H      -5.819660     -3.241910      9.794281
  H      -4.308122     -2.455245      9.357366
  H      -5.945128     -2.109033      7.556288
  H      -6.253441     -3.838943      7.437943
  H      -3.679734     -2.329412      6.708397
  H      -4.760850     -3.213649      5.627612
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5661750-81eQ/orca E -5767.902944208486
  N      -3.076615     -3.956657      2.435339
  C      -2.534164     -4.987179      1.547681
  C      -2.377862     -6.289458      2.324623
  N      -3.625724     -6.564113      3.093211
  C      -4.678640     -7.149022      2.218889
  C      -6.055488     -6.923516      2.824352
  N      -6.145538     -5.545816      3.310430
  Mo     -4.385968     -4.697643      3.769916
  N      -3.600391     -5.265741      5.487571
  C      -2.799094     -6.499897      5.415976
  C      -3.357268     -7.388059      4.310131
  H      -2.818212     -7.087554      6.355591
  H      -1.725021     -6.284850      5.218620
  H      -4.321513     -7.807731      4.632579
  H      -2.673913     -8.225809      4.074129
  H      -6.800449     -7.145100      2.038334
  H      -6.246606     -7.675405      3.613216
  H      -4.608371     -6.626120      1.254362
  H      -4.486291     -8.225699      2.049422
  H      -1.542284     -4.725350      1.135291
  H      -3.188094     -5.145716      0.663625
  H      -1.564881     -6.173578      3.055685
  H      -2.144656     -7.150749      1.671015
  C       1.462535     -1.769519      1.475048
  N       0.498962     -0.996988      2.252762
  C      -0.041097     -1.725947      3.403705
  C      -0.958349     -2.905563      3.059548
  C      -2.355500     -2.660469      2.422633
  C      -2.248076     -2.089428      0.988489
  C      -3.618593     -1.759687      0.393214
  C      -4.364249     -0.747116      1.267753
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  H      -7.687294     -5.712064      0.765493
  H      -7.799337     -3.048672      0.376028
  H      -6.454182     -3.782076      1.266241
  H      -8.973198     -2.638078      2.574107
  H      -7.427190     -1.797727      2.489880
  H      -6.378999     -3.232693      4.051669
  H      -8.026724     -3.163499      4.667586
  H      -1.742415     -0.314975      8.453166
  H      -0.781893      0.200488      7.049093
  H      -0.032407     -0.805500      8.329332
  H      -0.761811     -2.016829      6.256672
  H      -2.335580     -2.745766      8.613312
  H      -0.642995     -3.203964      8.417692
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  H      -1.515538     -5.103879      7.481236
  H      -3.425488     -6.252949      8.091884
  H      -5.042309     -5.745046      7.598910
  H      -4.771493     -5.272565      9.961823
  H      -3.233367     -4.463890      9.717434
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  H      -3.678881     -2.336357      6.684269
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107
Coordinates from ORCA-job /scratch/magstr/orcajob__5661750-81eQ/orca E -5767.903022441060
  N      -3.068920     -3.963587      2.450255
  C      -2.522977     -4.992150      1.563015
  C      -2.374802     -6.297210      2.335977
  N      -3.625176     -6.570836      3.097994
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  N      -6.145339     -5.549476      3.302812
  Mo     -4.387056     -4.704571      3.774180
  N      -3.611058     -5.278349      5.493597
  C      -2.812880     -6.511229      5.424370
  C      -3.363121     -7.396925      4.313125
  H      -2.839206     -7.096917      6.359833
  H      -1.741652     -6.297126      5.235367
  H      -4.327221     -7.817578      4.628313
  H      -2.678244     -8.232888      4.078205
  H      -6.790807     -7.139629      2.020992
  H      -6.255907     -7.677447      3.595788
  H      -4.597221     -6.633154      1.256292
  H      -4.482489     -8.230655      2.052040
  H      -1.528716     -4.732521      1.160060
  H      -3.168883     -5.146146      0.674763
  H      -1.566331     -6.185248      3.070036
  H      -2.140353     -7.157471      1.681762
  C       1.447959     -1.715514      1.481753
  N       0.476125     -0.963564      2.268662
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  C      -0.954295     -2.897487      3.065588
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  C      -2.254967     -2.095989      0.997413
  C      -3.626478     -1.772186      0.404758
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  H      -8.023502     -3.174997      4.666815
  H      -1.700569     -0.329007      8.421566
  H      -0.728310      0.165768      7.018544
  H       0.004579     -0.836936      8.310724
  H      -0.725303     -2.060135      6.244332
  H      -2.317922     -2.748843      8.603167
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  H      -3.460974     -6.248872      8.112535
  H      -5.069716     -5.722260      7.606391
  H      -4.806061     -5.228017      9.965004
  H      -3.252160     -4.449064      9.723479
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  H      -6.256371     -3.776137      7.443632
  H      -3.656826     -2.340656      6.656940
  H      -4.763041     -3.233515      5.609426
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5661750-81eQ/orca E -5767.903112920282
  N      -3.060358     -3.970940      2.452560
  C      -2.509631     -5.000349      1.569059
  C      -2.367241     -6.305334      2.343148
  N      -3.622043     -6.574753      3.101460
  C      -4.669185     -7.152218      2.216140
  C      -6.053230     -6.920766      2.802850
  N      -6.142058     -5.546726      3.297255
  Mo     -4.382652     -4.707994      3.775715
  N      -3.613661     -5.285041      5.499069
  C      -2.820830     -6.522255      5.432958
  C      -3.368973     -7.404155      4.317584
  H      -2.857687     -7.107916      6.368792
  H      -1.746468     -6.314382      5.250422
  H      -4.337324     -7.821177      4.626734
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  H      -6.785861     -7.128683      2.002380
  H      -6.264383     -7.677340      3.580349
  H      -4.585790     -6.630232      1.252829
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  H      -1.511424     -4.742592      1.173517
  H      -3.149020     -5.153739      0.675620
  H      -1.559895     -6.196705      3.080261
  H      -2.133201     -7.166323      1.689646
  C       1.435387     -1.680792      1.475732
  N       0.458697     -0.941743      2.268295
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  C      -9.880530     -7.885057      5.239713
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  H      -3.826254      0.180224      1.249810
  H      -4.995332     -0.539883      3.331709
  H      -5.142523     -2.184266      2.692197
  H      -3.240023     -2.047696      4.303520
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  H      -8.121016     -8.896106      5.111671
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  H      -6.473549     -3.772739      1.253190
  H      -8.976146     -2.632146      2.593636
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  H      -6.370570     -3.241044      4.037848
  H      -8.008524     -3.168761      4.670199
  H      -1.704729     -0.339710      8.435179
  H      -0.721436      0.155482      7.038786
  H       0.001165     -0.853622      8.334657
  H      -0.720092     -2.065994      6.261558
  H      -2.317277     -2.759309      8.611693
  H      -0.629987     -3.244409      8.422624
  H      -1.498858     -4.145388      6.047502
  H      -1.531277     -5.137085      7.499474
  H      -3.463947     -6.252065      8.122857
  H      -5.071212     -5.724543      7.615385
  H      -4.807610     -5.223027      9.972683
  H      -3.250845     -4.451234      9.730994
  H      -5.778772     -3.121146      9.797504
  H      -4.247383     -2.405471      9.312999
  H      -5.904926     -2.054962      7.526661
  H      -6.253181     -3.778964      7.456829
  H      -3.656328     -2.347268      6.657296
  H      -4.766165     -3.244578      5.616692
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5661750-81eQ/orca E -5767.903190524200
  N      -3.046463     -3.980431      2.465977
  C      -2.488495     -5.008732      1.585322
  C      -2.358589     -6.316524      2.356885
  N      -3.620544     -6.581420      3.106935
  C      -4.664651     -7.151584      2.211666
  C      -6.052518     -6.918450      2.789614
  N      -6.140054     -5.547018      3.293519
  Mo     -4.379296     -4.715123      3.779149
  N      -3.617440     -5.295028      5.504703
  C      -2.836444     -6.541566      5.446284
  C      -3.381814     -7.416319      4.323590
  H      -2.895182     -7.127986      6.382958
  H      -1.755008     -6.346579      5.278091
  H      -4.356569     -7.827572      4.622919
  H      -2.702022     -8.258108      4.092635
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  H      -6.274618     -7.681028      3.559312
  H      -4.572385     -6.626760      1.249820
  H      -4.480499     -8.229495      2.039677
  H      -1.483047     -4.754011      1.205171
  H      -3.115587     -5.156911      0.682047
  H      -1.554611     -6.215341      3.099797
  H      -2.125273     -7.176710      1.701979
  C       1.413539     -1.626575      1.462562
  N       0.433709     -0.909250      2.271495
  C      -0.055656     -1.683735      3.415091
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  H      -7.429501     -1.789190      2.513117
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  H      -1.698534     -0.342411      8.413090
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  H      -5.079484     -5.718908      7.616240
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107
Coordinates from ORCA-job /scratch/magstr/orcajob__5661750-81eQ/orca E -5767.903256387680
  N      -3.033609     -3.990515      2.472986
  C      -2.473207     -5.019927      1.595207
  C      -2.354730     -6.329574      2.365337
  N      -3.621485     -6.588476      3.110050
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  N      -3.621535     -5.305868      5.508846
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  C      -3.393211     -7.427196      4.326397
  H      -2.923747     -7.144836      6.390252
  H      -1.765423     -6.372454      5.296648
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  H      -1.552906     -6.234991      3.111640
  H      -2.123941     -7.189695      1.709674
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  N       0.408593     -0.877105      2.279024
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  H      -1.706038     -0.354497      8.403123
  H      -0.705359      0.119961      7.011742
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107
Coordinates from ORCA-job /scratch/magstr/orcajob__5661750-81eQ/orca E -5767.903347841565
  N      -3.009878     -4.002013      2.493423
  C      -2.445121     -5.032456      1.619210
  C      -2.347571     -6.346321      2.384644
  N      -3.624347     -6.597062      3.115662
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  N      -6.133835     -5.533149      3.275283
  Mo     -4.367409     -4.726497      3.787871
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  C      -3.416988     -7.443686      4.329907
  H      -2.977872     -7.174613      6.400570
  H      -1.790839     -6.416307      5.331217
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  H      -1.551547     -6.263151      3.138870
  H      -2.119026     -7.204441      1.725578
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  H      -0.004513     -0.900373      8.324415
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  H      -3.521553     -6.266123      8.160122
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  H      -4.885294     -5.188895      9.965077
  H      -3.299430     -4.469124      9.759864
  H      -5.769132     -3.054991      9.777969
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  H      -6.252359     -3.752152      7.442345
  H      -3.618792     -2.379627      6.637866
  H      -4.748177     -3.270317      5.606831
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5661750-81eQ/orca E -5733.683194173142
  N      -2.993233     -4.011497      2.504857
  C      -2.425973     -5.044978      1.635553
  C      -2.343650     -6.359657      2.400247
  N      -3.628237     -6.603608      3.119429
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  C      -6.060825     -6.888756      2.742448
  N      -6.130694     -5.525427      3.266502
  Mo     -4.362247     -4.729863      3.791387
  N      -3.641083     -5.335966      5.523817
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  C      -3.437248     -7.454391      4.332564
  H      -3.015402     -7.194460      6.406944
  H      -1.810081     -6.447385      5.352471
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  H      -1.553646     -6.281980      3.161043
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  H      -1.695380     -0.389821      8.383229
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  H       0.005638     -0.924253      8.326813
  H      -0.693696     -2.164627      6.256845
  H      -2.297717     -2.814466      8.619229
  H      -0.616081     -3.320094      8.418739
  H      -1.491960     -4.265402      6.078086
  H      -1.577132     -5.216833      7.555456
  H      -3.542300     -6.273672      8.165656
  H      -5.125421     -5.716086      7.620577
  H      -4.913223     -5.187476      9.961191
  H      -3.318675     -4.480446      9.768728
  H      -5.774347     -3.042624      9.770999
  H      -4.213597     -2.399147      9.272897
  H      -5.872967     -2.026247      7.479313
  H      -6.254294     -3.746992      7.432744
  H      -3.612781     -2.388285      6.637813
  H      -4.742989     -3.272888      5.603061
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5661750-81eQ/orca E -5767.903432055948
  N      -2.993248     -4.011424      2.505201
  C      -2.425996     -5.045322      1.636330
  C      -2.344090     -6.359718      2.401056
  N      -3.628580     -6.603504      3.119797
  C      -4.664111     -7.143923      2.195253
  C      -6.061246     -6.888604      2.742755
  N      -6.131061     -5.525189      3.266676
  Mo     -4.362533     -4.729597      3.791523
  N      -3.641065     -5.335260      5.523769
  C      -2.900598     -6.604841      5.479505
  C      -3.437408     -7.453893      4.332795
  H      -3.015005     -7.193685      6.407025
  H      -1.810089     -6.446595      5.352270
  H      -4.427672     -7.846434      4.601707
  H      -2.770123     -8.307652      4.110733
  H      -6.769071     -7.056362      1.910987
  H      -6.319296     -7.656755      3.494022
  H      -4.536948     -6.613773      1.241368
  H      -4.496843     -8.223543      2.018644
  H      -1.402443     -4.809485      1.295417
  H      -3.022117     -5.176057      0.710273
  H      -1.554460     -6.281956      3.161847
  H      -2.115322     -7.217598      1.741816
  C       1.331620     -1.411128      1.443803
  N       0.339901     -0.780389      2.306805
  C      -0.067737     -1.620411      3.434191
  C      -0.903142     -2.853908      3.070809
  C      -2.314645     -2.691208      2.431810
  C      -2.222415     -2.191976      0.971007
  C      -3.595214     -1.911583      0.358728
  C      -4.352440     -0.865756      1.179753
  C      -4.483319     -1.327605      2.629996
  C      -3.122857     -1.663129      3.241930
  C      -9.850850     -7.832323      5.283402
  N      -8.444562     -7.939689      4.907377
  C      -7.585402     -6.976872      5.603010
  C      -7.775579     -5.519110      5.189779
  C      -7.452280     -5.050417      3.740377
  C      -8.579352     -5.427719      2.757138
  C      -8.338452     -4.902969      1.326824
  C      -7.586081     -3.558094      1.298801
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  C      -7.395488     -3.497839      3.820508
  C      -0.898302     -0.744464      7.710087
  N      -1.365314     -1.921125      6.988540
  C      -1.547473     -3.085147      7.859245
  C      -1.987244     -4.319663      7.062702
  C      -3.507666     -4.566293      6.801426
  C      -4.135553     -5.369336      7.964564
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  C      -5.440036     -3.030271      7.626449
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  H       2.199793     -1.830516      1.998155
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  H       0.724666      0.090300      2.675894
  H       0.818731     -1.995582      3.998915
  H      -0.633435     -0.983140      4.130777
  H      -0.299431     -3.519443      2.431550
  H      -1.064333     -3.409578      4.009349
  H      -1.673141     -2.924844      0.358884
  H      -1.616425     -1.271983      0.969668
  H      -3.476546     -1.571685     -0.682727
  H      -4.186012     -2.843535      0.331679
  H      -5.348161     -0.675701      0.748169
  H      -3.798826      0.090523      1.144547
  H      -4.990812     -0.567260      3.245269
  H      -5.114577     -2.231570      2.655143
  H      -3.238798     -2.029247      4.276963
  H      -2.528574     -0.737288      3.302597
  H     -10.019178     -7.843771      6.381471
  H     -10.274411     -6.894023      4.893716
  H     -10.416770     -8.662535      4.837704
  H      -8.118024     -8.881856      5.131279
  H      -7.743122     -7.020298      6.705070
  H      -6.536258     -7.261364      5.432182
  H      -7.110477     -4.939360      5.852109
  H      -8.801796     -5.193688      5.435203
  H      -8.728983     -6.516170      2.757816
  H      -9.512124     -4.995340      3.156254
  H      -9.315875     -4.791585      0.829189
  H      -7.781872     -5.646285      0.736367
  H      -7.863290     -2.980662      0.403206
  H      -6.501628     -3.738858      1.246110
  H      -8.977037     -2.600960      2.638200
  H      -7.433087     -1.759881      2.521130
  H      -6.339453     -3.220447      4.028088
  H      -7.965157     -3.151755      4.697364
  H      -1.692743     -0.389683      8.385356
  H      -0.675706      0.062942      6.998153
  H       0.008348     -0.925090      8.327314
  H      -0.692977     -2.163487      6.256988
  H      -2.296068     -2.814483      8.620017
  H      -0.614516     -3.320517      8.418271
  H      -1.491998     -4.264399      6.077844
  H      -1.576542     -5.216234      7.554733
  H      -3.540327     -6.273567      8.164826
  H      -5.124014     -5.716583      7.621032
  H      -4.911761     -5.190073      9.961630
  H      -3.317500     -4.481271      9.769462
  H      -5.775271     -3.045138      9.772823
  H      -4.214125     -2.397522      9.275297
  H      -5.874405     -2.028623      7.481143
  H      -6.253400     -3.749552      7.433574
  H      -3.614624     -2.387437      6.638701
  H      -4.743630     -3.272928      5.603890
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5661750-81eQ/orca E -5767.903310654870
  N      -2.956666     -4.031009      2.529558
  C      -2.387039     -5.073455      1.671649
  C      -2.339546     -6.388443      2.434966
  N      -3.640779     -6.616662      3.126523
  C      -4.669506     -7.133035      2.180621
  C      -6.070332     -6.862068      2.712167
  N      -6.124154     -5.504102      3.249764
  Mo     -4.350284     -4.734576      3.800373
  N      -3.654231     -5.356669      5.534219
  C      -2.945807     -6.643587      5.495669
  C      -3.484180     -7.474689      4.336161
  H      -3.088979     -7.235875      6.415800
  H      -1.850731     -6.513372      5.389511
  H      -4.484887     -7.849394      4.588702
  H      -2.831215     -8.341664      4.122544
  H      -6.770774     -7.013025      1.871509
  H      -6.345296     -7.630961      3.455934
  H      -4.517513     -6.593540      1.236966
  H      -4.511884     -8.212426      1.996447
  H      -1.353682     -4.852492      1.351645
  H      -2.966073     -5.194497      0.733573
  H      -1.564285     -6.321280      3.210454
  H      -2.109789     -7.245590      1.775062
  C       1.258548     -1.263177      1.442114
  N       0.266363     -0.692397      2.342234
  C      -0.086917     -1.574449      3.453697
  C      -0.880872     -2.829141      3.076208
  C      -2.292171     -2.706146      2.423986
  C      -2.189754     -2.252152      0.948459
  C      -3.555181     -1.992876      0.312309
  C      -4.321551     -0.924350      1.096639
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  C      -3.118242     -1.661182      3.196448
  C      -9.813979     -7.815386      5.334730
  N      -8.418145     -7.919965      4.919792
  C      -7.544317     -6.954617      5.595068
  C      -7.748860     -5.498702      5.191165
  C      -7.439560     -5.026587      3.740778
  C      -8.582173     -5.404023      2.774601
  C      -8.372404     -4.872009      1.341538
  C      -7.611603     -3.532273      1.303497
  C      -7.887234     -2.735265      2.576305
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  C      -0.873381     -0.787090      7.728518
  N      -1.360712     -1.955122      7.009484
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  C      -1.991892     -4.354000      7.074508
  C      -3.514708     -4.587099      6.807920
  C      -4.155359     -5.383569      7.970304
  C      -4.326244     -4.604917      9.280709
  C      -4.966688     -3.210260      9.059515
  C      -5.445414     -3.041654      7.616359
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  H       2.158668     -1.659309      1.962066
  H       1.576934     -0.497140      0.722460
  H       0.816750     -2.095774      0.872357
  H       0.623376      0.185939      2.721618
  H       0.822061     -1.930331      3.991524
  H      -0.660741     -0.974980      4.174351
  H      -0.249991     -3.476552      2.443910
  H      -1.032568     -3.392276      4.011850
  H      -1.632227     -3.005630      0.368555
  H      -1.590179     -1.329153      0.918545
  H      -3.420071     -1.678322     -0.735127
  H      -4.144750     -2.924991      0.301403
  H      -5.309569     -0.740152      0.646558
  H      -3.764190      0.028363      1.043754
  H      -4.990835     -0.575240      3.143395
  H      -5.092519     -2.258710      2.595316
  H      -3.245663     -2.002110      4.238400
  H      -2.528572     -0.730929      3.238264
  H      -9.948324     -7.816717      6.438016
  H     -10.256472     -6.885027      4.947279
  H     -10.387189     -8.652584      4.913047
  H      -8.084024     -8.859069      5.145094
  H      -7.671895     -7.000786      6.700661
  H      -6.498072     -7.232221      5.398822
  H      -7.076670     -4.918475      5.847069
  H      -8.772314     -5.178713      5.451047
  H      -8.729486     -6.492706      2.775023
  H      -9.508583     -4.974952      3.191167
  H      -9.362913     -4.748648      0.871894
  H      -7.836312     -5.612398      0.729839
  H      -7.898485     -2.953808      0.411101
  H      -6.528454     -3.716111      1.234057
  H      -8.976101     -2.570539      2.665355
  H      -7.428311     -1.735984      2.525023
  H      -6.320187     -3.197279      4.023015
  H      -7.938226     -3.134581      4.711047
  H      -1.656366     -0.422204      8.413608
  H      -0.647347      0.020942      7.016151
  H       0.041038     -0.977584      8.333814
  H      -0.704568     -2.198319      6.263536
  H      -2.290989     -2.860136      8.639876
  H      -0.608480     -3.366943      8.426470
  H      -1.490058     -4.308741      6.093205
  H      -1.593632     -5.253825      7.570859
  H      -3.568229     -6.293609      8.170717
  H      -5.143221     -5.723145      7.619620
  H      -4.955040     -5.205926      9.956784
  H      -3.352168     -4.504404      9.786817
  H      -5.801621     -3.052009      9.759466
  H      -4.233832     -2.413506      9.276368
  H      -5.876971     -2.039235      7.466000
  H      -6.255998     -3.758806      7.408490
  H      -3.605991     -2.403285      6.658392
  H      -4.725543     -3.270180      5.600203
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5661750-81eQ/orca E -5767.903366347959
  N      -2.975506     -4.016716      2.522270
  C      -2.403925     -5.056589      1.662905
  C      -2.341710     -6.367904      2.432926
  N      -3.640271     -6.607401      3.124481
  C      -4.667318     -7.133392      2.184105
  C      -6.066720     -6.871966      2.722079
  N      -6.131033     -5.510765      3.253641
  Mo     -4.361270     -4.727849      3.797062
  N      -3.652075     -5.337516      5.529963
  C      -2.928819     -6.617483      5.489147
  C      -3.470338     -7.459093      4.337573
  H      -3.049577     -7.210594      6.416143
  H      -1.832694     -6.475171      5.367760
  H      -4.467222     -7.840317      4.600325
  H      -2.813793     -8.323858      4.124352
  H      -6.772582     -7.036016      1.889305
  H      -6.329846     -7.638849      3.471467
  H      -4.525064     -6.592549      1.238863
  H      -4.502361     -8.211901      1.999602
  H      -1.376131     -4.825592      1.328025
  H      -2.993950     -5.186924      0.730798
  H      -1.570134     -6.286486      3.211416
  H      -2.098973     -7.227596      1.780659
  C       1.295297     -1.353048      1.451718
  N       0.302925     -0.739714      2.329386
  C      -0.090205     -1.586991      3.457571
  C      -0.901049     -2.834680      3.088081
  C      -2.307419     -2.695063      2.436292
  C      -2.202979     -2.217905      0.967835
  C      -3.572989     -1.970334      0.335032
  C      -4.355540     -0.923651      1.130803
  C      -4.493688     -1.359076      2.589510
  C      -3.133231     -1.661129      3.220216
  C      -9.847895     -7.853594      5.269629
  N      -8.443310     -7.935372      4.877257
  C      -7.587221     -6.977568      5.585478
  C      -7.776050     -5.516325      5.185119
  C      -7.452128     -5.038643      3.735998
  C      -8.583797     -5.416715      2.759211
  C      -8.362222     -4.886453      1.328881
  C      -7.611580     -3.541884      1.297850
  C      -7.895248     -2.745584      2.570074
  C      -7.396873     -3.485583      3.818314
  C      -0.831900     -0.775246      7.725669
  N      -1.343668     -1.934868      7.007556
  C      -1.532133     -3.103676      7.866688
  C      -1.980621     -4.327739      7.060663
  C      -3.503681     -4.563742      6.804175
  C      -4.129896     -5.360017      7.975133
  C      -4.282509     -4.572125      9.286695
  C      -4.944942     -3.191841      9.075222
  C      -5.427824     -3.018130      7.634806
  C      -4.285903     -3.233345      6.634808
  H       2.174994     -1.759441      1.990701
  H       1.653196     -0.613606      0.721388
  H       0.839829     -2.181090      0.890569
  H       0.678741      0.137848      2.692734
  H       0.801647     -1.947122      4.020362
  H      -0.667073     -0.961330      4.153237
  H      -0.276280     -3.488833      2.458315
  H      -1.059028     -3.394825      4.025078
  H      -1.634410     -2.957443      0.381957
  H      -1.613726     -1.287057      0.950347
  H      -3.448225     -1.642749     -0.709909
  H      -4.148603     -2.912336      0.315698
  H      -5.349901     -0.756222      0.685079
  H      -3.817837      0.041636      1.079314
  H      -5.018667     -0.592165      3.181233
  H      -5.109032     -2.274763      2.627783
  H      -3.246738     -2.007322      4.262476
  H      -2.550645     -0.726553      3.265295
  H     -10.005787     -7.872343      6.371122
  H     -10.293759     -6.926975      4.886501
  H     -10.401005     -8.691222      4.823563
  H      -8.104110     -8.875891      5.082146
  H      -7.744350     -7.034585      6.689664
  H      -6.538122     -7.255585      5.414500
  H      -7.110677     -4.942962      5.852561
  H      -8.801080     -5.190575      5.432547
  H      -8.731133     -6.505282      2.759714
  H      -9.513812     -4.985587      3.167566
  H      -9.346763     -4.770459      0.849204
  H      -7.813674     -5.624256      0.722793
  H      -7.898594     -2.964842      0.405896
  H      -6.528146     -3.721714      1.231274
  H      -8.982190     -2.578701      2.654916
  H      -7.436445     -1.746764      2.521593
  H      -6.343490     -3.207948      4.024811
  H      -7.963033     -3.146055      4.698483
  H      -1.593631     -0.413784      8.432710
  H      -0.619109      0.038281      7.019052
  H       0.093153     -0.976116      8.306334
  H      -0.702035     -2.183036      6.249183
  H      -2.279574     -2.839768      8.630444
  H      -0.601038     -3.353990      8.423256
  H      -1.489119     -4.271636      6.075708
  H      -1.574678     -5.230090      7.545177
  H      -3.536873     -6.267398      8.165743
  H      -5.121907     -5.703680      7.639368
  H      -4.883389     -5.175243      9.983688
  H      -3.302460     -4.449419      9.767220
  H      -5.779208     -3.051726      9.775435
  H      -4.231355     -2.390789      9.300764
  H      -5.853982     -2.010499      7.492561
  H      -6.249077     -3.728945      7.432463
  H      -3.593735     -2.376766      6.665403
  H      -4.720190     -3.239992      5.610105
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5661750-81eQ/orca E -5767.903516116747
  N      -2.982150     -4.015891      2.517393
  C      -2.406710     -5.050761      1.655046
  C      -2.339570     -6.365158      2.421540
  N      -3.633812     -6.606345      3.122455
  C      -4.663226     -7.136064      2.186218
  C      -6.064258     -6.877253      2.723167
  N      -6.132897     -5.515927      3.256125
  Mo     -4.362712     -4.730344      3.793340
  N      -3.650807     -5.339834      5.527413
  C      -2.920491     -6.615164      5.486943
  C      -3.457582     -7.459395      4.336039
  H      -3.042438     -7.204485      6.414564
  H      -1.826533     -6.466627      5.365512
  H      -4.452889     -7.844895      4.598536
  H      -2.796081     -8.319130      4.118436
  H      -6.767228     -7.037223      1.884235
  H      -6.333629     -7.649748      3.468240
  H      -4.525112     -6.599126      1.236623
  H      -4.499809     -8.215374      2.003194
  H      -1.377953     -4.817306      1.325393
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  H      -1.562228     -6.288051      3.195115
  H      -2.101259     -7.224531      1.767637
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  N       0.311621     -0.749889      2.324515
  C      -0.079584     -1.602776      3.449032
  C      -0.902136     -2.843839      3.079077
  C      -2.312445     -2.692782      2.436790
  C      -2.217978     -2.205778      0.971540
  C      -3.592952     -1.950552      0.350663
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  C      -7.453894     -5.043140      3.733125
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  C      -7.593807     -3.549516      1.294063
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  C      -3.507531     -4.567999      6.803289
  C      -4.139324     -5.363862      7.969925
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  H       2.184468     -1.772569      1.995617
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  H      -0.651267     -0.977573      4.153980
  H      -0.288937     -3.500605      2.439414
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  H      -1.656650     -2.938517      0.371766
  H      -1.624174     -1.277725      0.962820
  H      -3.477108     -1.620622     -0.694644
  H      -4.172341     -2.890714      0.331748
  H      -5.364102     -0.736952      0.722016
  H      -3.824978      0.056747      1.110860
  H      -5.013217     -0.591554      3.217441
  H      -5.113732     -2.264900      2.648762
  H      -3.242579     -2.017345      4.272162
  H      -2.544355     -0.732132      3.284063
  H     -10.007803     -7.847005      6.384496
  H     -10.276397     -6.905934      4.893126
  H     -10.402650     -8.675025      4.843753
  H      -8.103646     -8.877355      5.123703
  H      -7.738386     -7.014007      6.702897
  H      -6.530894     -7.253439      5.431689
  H      -7.108965     -4.931759      5.845036
  H      -8.800689     -5.188399      5.429527
  H      -8.731490     -6.508164      2.752172
  H      -9.514128     -4.988283      3.156134
  H      -9.328849     -4.776730      0.831212
  H      -7.797540     -5.635295      0.726290
  H      -7.872619     -2.971359      0.399425
  H      -6.510057     -3.734141      1.237720
  H      -8.977018     -2.586285      2.637570
  H      -7.429651     -1.752952      2.515498
  H      -6.342175     -3.214126      4.023139
  H      -7.967136     -3.145945      4.691706
  H      -1.639501     -0.412822      8.401051
  H      -0.634264      0.035901      7.006112
  H       0.052879     -0.967069      8.322684
  H      -0.680439     -2.188997      6.255961
  H      -2.283625     -2.827835      8.621228
  H      -0.607538     -3.349351      8.421709
  H      -1.490388     -4.283085      6.078016
  H      -1.582352     -5.233123      7.555801
  H      -3.548821     -6.270633      8.171366
  H      -5.130587     -5.706660      7.628766
  H      -4.908074     -5.172305      9.970754
  H      -3.313587     -4.467358      9.767765
  H      -5.771918     -3.027340      9.770039
  H      -4.207787     -2.384939      9.275943
  H      -5.856131     -2.016446      7.476402
  H      -6.246217     -3.733546      7.433008
  H      -3.599539     -2.387936      6.643111
  H      -4.728005     -3.263674      5.601624
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5661750-81eQ/orca E -5767.903580237478
  N      -2.971116     -4.024380      2.525155
  C      -2.395380     -5.063043      1.667463
  C      -2.336985     -6.376201      2.434788
  N      -3.635180     -6.611697      3.129273
  C      -4.663124     -7.135143      2.188470
  C      -6.064529     -6.870565      2.720792
  N      -6.129085     -5.510320      3.254756
  Mo     -4.357294     -4.732418      3.799272
  N      -3.651574     -5.345971      5.534612
  C      -2.930145     -6.625965      5.495077
  C      -3.468367     -7.466026      4.342124
  H      -3.058913     -7.215685      6.420751
  H      -1.835588     -6.485430      5.377843
  H      -4.466392     -7.845623      4.600790
  H      -2.811254     -8.329778      4.126958
  H      -6.765237     -7.027315      1.880817
  H      -6.337611     -7.640783      3.464842
  H      -4.518600     -6.597290      1.241390
  H      -4.502680     -8.214509      2.004719
  H      -1.364635     -4.834654      1.342731
  H      -2.976844     -5.190932      0.731095
  H      -1.562984     -6.301204      3.211061
  H      -2.098972     -7.236350      1.781908
  C       1.283898     -1.315394      1.454796
  N       0.286755     -0.719482      2.334871
  C      -0.093002     -1.582753      3.453858
  C      -0.897964     -2.832959      3.079647
  C      -2.307398     -2.698163      2.431042
  C      -2.206062     -2.225481      0.960568
  C      -3.575220     -1.975886      0.327975
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  C      -4.493309     -1.361586      2.580282
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  C      -9.847899     -7.829064      5.280235
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  C      -8.582400     -5.413325      2.760092
  C      -8.360093     -4.879574      1.330326
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  C      -7.392455     -3.485745      3.823304
  C      -0.846533     -0.782237      7.717749
  N      -1.339187     -1.948083      6.997924
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  H       0.836017     -2.142373      0.883722
  H       0.653562      0.156343      2.709963
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  H      -0.670963     -0.968794      4.160056
  H      -0.273561     -3.482167      2.444019
  H      -1.050751     -3.395076      4.016070
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  H      -1.615803     -1.295602      0.945105
  H      -3.450306     -1.652131     -0.717813
  H      -4.151760     -2.916843      0.310647
  H      -5.349139     -0.758078      0.677626
  H      -3.815812      0.037893      1.072114
  H      -5.021049     -0.597368      3.173075
  H      -5.106849     -2.276874      2.617400
  H      -3.254107     -2.009078      4.254075
  H      -2.552975     -0.728282      3.257936
  H     -10.008101     -7.840208      6.380955
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  H     -10.411316     -8.662484      4.837331
  H      -8.113015     -8.872146      5.106468
  H      -7.733508     -7.021413      6.695016
  H      -6.532254     -7.256697      5.416695
  H      -7.099642     -4.937340      5.849661
  H      -8.791733     -5.185589      5.435253
  H      -8.729351     -6.502317      2.757061
  H      -9.512266     -4.985319      3.171304
  H      -9.344408     -4.760077      0.848882
  H      -7.815212     -5.619653      0.724391
  H      -7.887138     -2.956494      0.409861
  H      -6.520806     -3.722124      1.237522
  H      -8.977776     -2.577423      2.656765
  H      -7.430289     -1.744312      2.528199
  H      -6.336672     -3.209279      4.028810
  H      -7.958746     -3.144644      4.704159
  H      -1.625352     -0.419529      8.407035
  H      -0.624461      0.026060      7.006609
  H       0.067086     -0.978668      8.320614
  H      -0.681604     -2.197301      6.256079
  H      -2.275372     -2.838963      8.627637
  H      -0.598351     -3.357808      8.423014
  H      -1.485398     -4.293416      6.082353
  H      -1.578815     -5.242123      7.559398
  H      -3.546960     -6.275262      8.177860
  H      -5.127189     -5.710613      7.633262
  H      -4.910674     -5.180266      9.973297
  H      -3.315828     -4.474263      9.776396
  H      -5.775858     -3.037570      9.769729
  H      -4.212384     -2.393196      9.284642
  H      -5.853104     -2.017380      7.478028
  H      -6.244847     -3.734482      7.428675
  H      -3.590952     -2.390821      6.657248
  H      -4.717210     -3.257778      5.606146
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5661750-81eQ/orca E -5767.903612595038
  N      -2.962996     -4.027239      2.532772
  C      -2.385138     -5.067052      1.677641
  C      -2.336756     -6.381015      2.444135
  N      -3.640123     -6.613711      3.129503
  C      -4.665484     -7.129785      2.181970
  C      -6.068020     -6.862097      2.709931
  N      -6.129551     -5.503264      3.248088
  Mo     -4.356524     -4.732787      3.800756
  N      -3.658064     -5.350941      5.536578
  C      -2.945147     -6.635660      5.498559
  C      -3.483932     -7.470409      4.341554
  H      -3.081150     -7.226883      6.422802
  H      -1.848554     -6.502433      5.386846
  H      -4.485530     -7.844505      4.595117
  H      -2.831434     -8.338190      4.128735
  H      -6.766560     -7.014428      1.867488
  H      -6.345632     -7.632991      3.451293
  H      -4.514281     -6.588152      1.238240
  H      -4.507975     -8.208976      1.994422
  H      -1.351203     -4.841492      1.360211
  H      -2.960624     -5.191987      0.736730
  H      -1.568205     -6.308390      3.226105
  H      -2.096431     -7.241085      1.791834
  C       1.264735     -1.277187      1.459741
  N       0.265667     -0.696838      2.348999
  C      -0.101622     -1.569326      3.465311
  C      -0.894529     -2.825636      3.086070
  C      -2.302528     -2.700624      2.432834
  C      -2.198443     -2.239883      0.959035
  C      -3.567911     -2.004656      0.319810
  C      -4.355765     -0.952647      1.102600
  C      -4.494615     -1.374563      2.564834
  C      -3.134917     -1.662189      3.202939
  C      -9.835573     -7.831967      5.292434
  N      -8.434500     -7.926870      4.893752
  C      -7.569953     -6.967177      5.587824
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  C      -7.448178     -5.031133      3.734016
  C      -8.584421     -5.406027      2.760753
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  C      -0.824471     -0.799157      7.721785
  N      -1.330583     -1.960319      7.002759
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  C      -5.424671     -3.019422      7.622656
  C      -4.280961     -3.243450      6.630877
  H       2.156619     -1.675216      1.990064
  H       1.599639     -0.518055      0.739584
  H       0.823450     -2.106387      0.888077
  H       0.624631      0.181104      2.726080
  H       0.801793     -1.922158      4.016190
  H      -0.684207     -0.964925      4.176024
  H      -0.261974     -3.468400      2.451699
  H      -1.045415     -3.391002      4.020691
  H      -1.625148     -2.981110      0.380150
  H      -1.613773     -1.306544      0.936727
  H      -3.441736     -1.689162     -0.728711
  H      -4.139812     -2.948892      0.308953
  H      -5.350290     -0.795291      0.653999
  H      -3.821011      0.013472      1.044111
  H      -5.028242     -0.607745      3.148997
  H      -5.102813     -2.293841      2.609031
  H      -3.254020     -1.998207      4.247872
  H      -2.556304     -0.725278      3.240746
  H      -9.985585     -7.841605      6.393787
  H     -10.276384     -6.901957      4.905452
  H     -10.398251     -8.669104      4.856960
  H      -8.098999     -8.868453      5.103878
  H      -7.717638     -7.017456      6.691549
  H      -6.522116     -7.248745      5.407371
  H      -7.094067     -4.931019      5.845523
  H      -8.787605     -5.183116      5.435994
  H      -8.731038     -6.494812      2.757827
  H      -9.512977     -4.978673      3.175302
  H      -9.354700     -4.748496      0.855069
  H      -7.827190     -5.610207      0.720840
  H      -7.894438     -2.949007      0.409356
  H      -6.526653     -3.715661      1.233076
  H      -8.977910     -2.567504      2.659196
  H      -7.428629     -1.737917      2.526006
  H      -6.334865     -3.202808      4.026913
  H      -7.956346     -3.139566      4.703350
  H      -1.595174     -0.432659      8.418204
  H      -0.601927      0.009980      7.011619
  H       0.092378     -1.002577      8.316491
  H      -0.679440     -2.213127      6.255360
  H      -2.271569     -2.850991      8.630692
  H      -0.596225     -3.376421      8.425126
  H      -1.486758     -4.305341      6.083977
  H      -1.584585     -5.253618      7.560070
  H      -3.555675     -6.276364      8.180947
  H      -5.134221     -5.706894      7.637008
  H      -4.913629     -5.172422      9.977718
  H      -3.319019     -4.467231      9.775815
  H      -5.779470     -3.031456      9.765840
  H      -4.215812     -2.388195      9.283970
  H      -5.847816     -2.013387      7.472631
  H      -6.244157     -3.730020      7.424250
  H      -3.584615     -2.393430      6.659101
  H      -4.709322     -3.255113      5.603174
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5661750-81eQ/orca E -5767.903659063008
  N      -2.957771     -4.030582      2.537950
  C      -2.375594     -5.070860      1.686282
  C      -2.334308     -6.384947      2.452895
  N      -3.641316     -6.615248      3.132052
  C      -4.664932     -7.125712      2.180030
  C      -6.068824     -6.855599      2.703660
  N      -6.129729     -5.497669      3.245012
  Mo     -4.355313     -4.733231      3.802603
  N      -3.661110     -5.353785      5.539698
  C      -2.952955     -6.641010      5.502686
  C      -3.492244     -7.473191      4.344054
  H      -3.092644     -7.232060      6.426723
  H      -1.855457     -6.511889      5.393068
  H      -4.496266     -7.842837      4.594306
  H      -2.842948     -8.343668      4.132427
  H      -6.764871     -7.004055      1.858188
  H      -6.351585     -7.627640      3.442099
  H      -4.508985     -6.581942      1.238101
  H      -4.510442     -8.204889      1.989585
  H      -1.338835     -4.846755      1.376349
  H      -2.944528     -5.194782      0.740975
  H      -1.569829     -6.313952      3.239107
  H      -2.091744     -7.245905      1.802622
  C       1.252214     -1.249482      1.466679
  N       0.248918     -0.679045      2.357819
  C      -0.112056     -1.556845      3.472204
  C      -0.895055     -2.818507      3.088891
  C      -2.302133     -2.701735      2.432523
  C      -2.195266     -2.247984      0.956542
  C      -3.564204     -2.028277      0.310668
  C      -4.363969     -0.978805      1.084278
  C      -4.502247     -1.391289      2.549336
  C      -3.141800     -1.662414      3.192946
  C      -9.835647     -7.830553      5.288668
  N      -8.434507     -7.924342      4.890017
  C      -7.569439     -6.966297      5.585306
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  C      -7.447968     -5.026767      3.733100
  C      -8.585029     -5.400380      2.760534
  C      -8.371088     -4.862083      1.331534
  C      -7.611965     -3.521746      1.302218
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  H      -8.098418     -8.866528      5.096228
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  H      -9.513284     -4.974988      3.177793
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  H      -7.832337     -5.600567      0.718619
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  H      -6.529565     -3.708238      1.233119
  H      -8.978161     -2.560119      2.664399
  H      -7.428280     -1.732089      2.530319
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  H      -7.956963     -3.136905      4.705568
  H      -1.571387     -0.446672      8.426123
  H      -0.582056     -0.003768      7.017501
  H       0.112794     -1.022797      8.317399
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  H      -1.483490     -4.315675      6.085724
  H      -1.585699     -5.263609      7.562441
  H      -3.558454     -6.275452      8.186215
  H      -5.136051     -5.703166      7.640958
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  H      -3.315465     -4.460776      9.774564
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107
Coordinates from ORCA-job /scratch/magstr/orcajob__5661750-81eQ/orca E -5767.903736047649
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  C      -2.337164     -5.087405      1.722716
  C      -2.325612     -6.403274      2.487135
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  Mo     -4.350969     -4.736878      3.811559
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  C      -3.526628     -7.486376      4.353950
  H      -3.143090     -7.255972      6.442242
  H      -1.885782     -6.553414      5.420281
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  H      -2.890285     -8.367408      4.146565
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  H      -4.487252     -6.558416      1.239033
  H      -4.520481     -8.189055      1.971268
  H      -1.289371     -4.870057      1.446026
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  H      -1.575543     -6.341896      3.287968
  H      -2.077828     -7.266723      1.842321
  C       1.194145     -1.127968      1.506729
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  H      -6.334735     -3.187229      4.041663
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  H      -1.476058     -0.499821      8.443940
  H      -0.495429     -0.063295      7.026259
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  H      -0.619955     -2.286794      6.262795
  H      -2.229142     -2.884749      8.633442
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  H      -3.571450     -6.271455      8.211581
  H      -5.142484     -5.689049      7.655698
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  H      -3.525114     -2.403559      6.677800
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107
Coordinates from ORCA-job /scratch/magstr/orcajob__5661750-81eQ/orca E -5767.903771430868
  N      -2.945823     -4.039861      2.555099
  C      -2.347205     -5.080216      1.714783
  C      -2.328106     -6.396370      2.478554
  N      -3.644707     -6.618814      3.141788
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  C      -6.071526     -6.837214      2.686336
  N      -6.132720     -5.482784      3.237043
  Mo     -4.355147     -4.735043      3.809869
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  C      -3.517570     -7.481136      4.352700
  H      -3.129015     -7.247239      6.439400
  H      -1.878133     -6.539100      5.412793
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  H      -2.877960     -8.359483      4.143925
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  H      -6.369656     -7.613025      3.414739
  H      -4.493131     -6.561527      1.240466
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  H      -2.082660     -7.258748      1.831410
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  H      -6.543483     -3.691823      1.233237
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  H      -6.339293     -3.192466      4.040766
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  H      -1.480641     -0.493699      8.450986
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  H       0.191512     -1.098225      8.319638
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  H      -2.235722     -2.879387      8.635138
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  H      -1.475106     -4.346500      6.088587
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  H      -3.571945     -6.270933      8.205964
  H      -5.143291     -5.687296      7.650841
  H      -4.903880     -5.136772      9.994108
  H      -3.308319     -4.441672      9.771078
  H      -5.778994     -3.003271      9.747238
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  H      -6.222382     -3.697009      7.406834
  H      -3.531410     -2.399538      6.676498
  H      -4.651099     -3.233840      5.597439
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5661750-81eQ/orca E -5767.903802530454
  N      -2.945483     -4.040318      2.557942
  C      -2.343681     -5.080765      1.719728
  C      -2.327864     -6.397768      2.481679
  N      -3.645568     -6.618743      3.143367
  C      -4.663374     -7.109810      2.175437
  C      -6.072296     -6.835041      2.684241
  N      -6.133405     -5.481643      3.236938
  Mo     -4.355740     -4.735399      3.811939
  N      -3.673098     -5.364508      5.552774
  C      -2.981195     -6.660426      5.518193
  C      -3.521346     -7.482343      4.353276
  H      -3.135469     -7.250569      6.440436
  H      -1.881781     -6.544188      5.416196
  H      -4.533719     -7.835555      4.591029
  H      -2.882946     -8.361599      4.144711
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  H      -4.517037     -8.188186      1.973773
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  H      -2.084069     -7.259079      1.832526
  C       1.213248     -1.151713      1.511601
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  H      -8.098938     -8.864813      5.078914
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  H      -8.732183     -6.478011      2.753068
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  H      -9.382493     -4.711141      0.874185
  H      -7.859888     -5.576054      0.714703
  H      -7.919156     -2.912876      0.426737
  H      -6.548521     -3.691886      1.232348
  H      -8.986535     -2.545671      2.684447
  H      -7.436922     -1.718726      2.546458
  H      -6.341024     -3.190334      4.041848
  H      -7.964285     -3.134606      4.715817
  H      -1.464390     -0.504183      8.458683
  H      -0.482530     -0.064760      7.043034
  H       0.206496     -1.113116      8.325569
  H      -0.613809     -2.285251      6.271498
  H      -2.229640     -2.886750      8.637078
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  H      -1.473383     -4.350867      6.087851
  H      -1.586434     -5.305025      7.560324
  H      -3.576405     -6.269514      8.208383
  H      -5.145037     -5.682209      7.651100
  H      -4.906277     -5.130146      9.994323
  H      -3.309544     -4.437506      9.770646
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  H      -3.521812     -2.400100      6.677314
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107
Coordinates from ORCA-job /scratch/magstr/orcajob__5661750-81eQ/orca E -5767.903878422905
  N      -2.944612     -4.043343      2.568710
  C      -2.329206     -5.083727      1.739086
  C      -2.327334     -6.404283      2.494748
  N      -3.650262     -6.620241      3.148483
  C      -4.665326     -7.101632      2.171476
  C      -6.076567     -6.826987      2.674524
  N      -6.137472     -5.477186      3.234667
  Mo     -4.358870     -4.738444      3.819130
  N      -3.677478     -5.372126      5.558460
  C      -2.996592     -6.674444      5.524766
  C      -3.537665     -7.488747      4.355073
  H      -3.161058     -7.264420      6.445078
  H      -1.896336     -6.566212      5.428213
  H      -4.553503     -7.835153      4.586767
  H      -2.904172     -8.371835      4.147424
  H      -6.755433     -6.955900      1.811671
  H      -6.381950     -7.606630      3.395560
  H      -4.484803     -6.542920      1.242958
  H      -4.520096     -8.178923      1.963786
  H      -1.276483     -4.862983      1.487601
  H      -2.848055     -5.197851      0.764557
  H      -1.575704     -6.355545      3.295091
  H      -2.087252     -7.261929      1.839435
  C       1.196508     -1.092415      1.558087
  N       0.141919     -0.574841      2.421473
  C      -0.204545     -1.472392      3.524627
  C      -0.913983     -2.766037      3.112009
  C      -2.312263     -2.703474      2.426819
  C      -2.179848     -2.295006      0.939697
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  H      -3.920543     -0.110477      0.852486
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  H      -3.327109     -1.920117      4.180925
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  H      -8.100519     -8.863349      5.085190
  H      -7.696960     -7.022771      6.677709
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  H      -7.073302     -4.934048      5.840909
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  H      -7.883824     -5.575078      0.716255
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  H      -7.453365     -1.715973      2.546585
  H      -6.344702     -3.186021      4.038345
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  H      -1.401415     -0.547227      8.484011
  H      -0.409047     -0.108761      7.074039
  H       0.265027     -1.173152      8.350486
  H      -0.562322     -2.324004      6.288458
  H      -2.199097     -2.917443      8.642328
  H      -0.543827     -3.508996      8.449503
  H      -1.465172     -4.369906      6.082363
  H      -1.582688     -5.337310      7.545496
  H      -3.591440     -6.263006      8.218429
  H      -5.150308     -5.660681      7.651640
  H      -4.910601     -5.100880      9.994398
  H      -3.310546     -4.417134      9.766561
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  H      -5.770741     -1.956931      7.410998
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  H      -3.477416     -2.402580      6.681084
  H      -4.593401     -3.215291      5.580774
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5661750-81eQ/orca E -5767.903921669913
  N      -2.941475     -4.047687      2.578548
  C      -2.314254     -5.089074      1.758074
  C      -2.325468     -6.411132      2.510033
  N      -3.654419     -6.621993      3.153485
  C      -4.666056     -7.092240      2.166880
  C      -6.079316     -6.815224      2.663151
  N      -6.138401     -5.468989      3.231720
  Mo     -4.358557     -4.740786      3.827452
  N      -3.681553     -5.382381      5.565046
  C      -3.012493     -6.690707      5.531694
  C      -3.554449     -7.496348      4.356337
  H      -3.187324     -7.281001      6.449815
  H      -1.910986     -6.591925      5.441242
  H      -4.573912     -7.836570      4.581171
  H      -2.926137     -8.383234      4.148999
  H      -6.752756     -6.936349      1.794827
  H      -6.392262     -7.597892      3.377783
  H      -4.476323     -6.527197      1.244062
  H      -4.523132     -8.168538      1.952996
  H      -1.257466     -4.868828      1.524570
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  H      -1.579373     -6.370146      3.315913
  H      -2.085718     -7.266805      1.852048
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  C      -9.831501     -7.802884      5.279671
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  H      -9.982103     -7.807349      6.381213
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  H      -7.901362     -5.566338      0.716845
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  H      -6.585449     -3.683671      1.221448
  H      -9.009053     -2.545561      2.702432
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  H      -6.345515     -3.176529      4.035993
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  H      -1.348026     -0.589020      8.505816
  H      -0.349079     -0.149153      7.101430
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  H      -0.517725     -2.361149      6.302628
  H      -2.174364     -2.946200      8.646591
  H      -0.526571     -3.560838      8.456654
  H      -1.459045     -4.390345      6.077693
  H      -1.580390     -5.368302      7.533868
  H      -3.600673     -6.259710      8.229956
  H      -5.152232     -5.646856      7.657189
  H      -4.910829     -5.075678      9.998811
  H      -3.307187     -4.401419      9.765572
  H      -5.776193     -2.943840      9.694872
  H      -4.184903     -2.320186      9.256378
  H      -5.744013     -1.942835      7.387853
  H      -6.177041     -3.651773      7.345870
  H      -3.443679     -2.409662      6.680386
  H      -4.558346     -3.211778      5.571180
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5661750-81eQ/orca E -5767.903973062987
  N      -2.944550     -4.050027      2.575912
  C      -2.315748     -5.092315      1.757409
  C      -2.326638     -6.414131      2.509971
  N      -3.655694     -6.624644      3.153197
  C      -4.667935     -7.093726      2.166811
  C      -6.080506     -6.815175      2.663790
  N      -6.137761     -5.468992      3.232707
  Mo     -4.356847     -4.743582      3.829892
  N      -3.678674     -5.387747      5.565721
  C      -3.012633     -6.697392      5.531757
  C      -3.555403     -7.500920      4.355009
  H      -3.189452     -7.287683      6.449734
  H      -1.910586     -6.601370      5.442278
  H      -4.574600     -7.842568      4.579812
  H      -2.926859     -8.387338      4.146270
  H      -6.754918     -6.935600      1.796120
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  H      -4.478291     -6.528091      1.244209
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  H      -1.581171     -6.373656      3.316383
  H      -2.086609     -7.269653      1.851905
  C       1.166683     -0.995004      1.626106
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  H       2.053957     -1.334463      2.203333
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  H      -3.303478     -4.400987      9.767787
  H      -5.768687     -2.939814      9.691496
  H      -4.177836     -2.319002      9.254590
  H      -5.733617     -1.942069      7.384404
  H      -6.169811     -3.650447      7.344087
  H      -3.433450     -2.413980      6.677522
  H      -4.551318     -3.215088      5.569808
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5661750-81eQ/orca E -5767.904039638866
  N      -2.949490     -4.053276      2.568862
  C      -2.318661     -5.097026      1.753312
  C      -2.328024     -6.416692      2.509825
  N      -3.657542     -6.627581      3.151475
  C      -4.669850     -7.096873      2.166649
  C      -6.081603     -6.816816      2.665418
  N      -6.137283     -5.469652      3.231593
  Mo     -4.355721     -4.745831      3.829472
  N      -3.674731     -5.390448      5.564023
  C      -3.011786     -6.700999      5.530381
  C      -3.556388     -7.504026      4.353708
  H      -3.189298     -7.290617      6.449103
  H      -1.909084     -6.608800      5.440980
  H      -4.575048     -7.846991      4.579940
  H      -2.927716     -8.390278      4.143920
  H      -6.759147     -6.938572      1.800579
  H      -6.392828     -7.598716      3.381858
  H      -4.482570     -6.530923      1.243571
  H      -4.527733     -8.173033      1.952604
  H      -1.262742     -4.874713      1.515053
  H      -2.824067     -5.213834      0.771278
  H      -1.585316     -6.372640      3.318360
  H      -2.083517     -7.274393      1.856222
  C       1.163923     -0.971554      1.644983
  N       0.054116     -0.513339      2.473309
  C      -0.281780     -1.434652      3.560841
  C      -0.940159     -2.745227      3.118507
  C      -2.327069     -2.711724      2.409492
  C      -2.168892     -2.333002      0.916102
  C      -3.513236     -2.218982      0.196239
  C      -4.397371     -1.162481      0.863364
  C      -4.569654     -1.476172      2.348611
  C      -3.228010     -1.648353      3.059708
  C      -9.829488     -7.780465      5.302746
  N      -8.432606     -7.895984      4.894936
  C      -7.549209     -6.946203      5.578493
  C      -7.738485     -5.482404      5.186973
  C      -7.450758     -5.001462      3.733114
  C      -8.602844     -5.380290      2.780411
  C      -8.428815     -4.835161      1.348542
  C      -7.670009     -3.495587      1.305505
  C      -7.921557     -2.705566      2.587876
  C      -7.393902     -3.449004      3.824122
  C      -0.600880     -0.984241      7.816475
  N      -1.139608     -2.106709      7.059823
  C      -1.421287     -3.273904      7.897079
  C      -1.934276     -4.455585      7.064773
  C      -3.467188     -4.604229      6.817790
  C      -4.144442     -5.338897      8.000076
  C      -4.285372     -4.510201      9.283408
  C      -4.901341     -3.111509      9.021672
  C      -5.330329     -2.955117      7.560902
  C      -4.162469     -3.230309      6.613919
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  H       1.473648     -0.165769      0.965301
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  H       0.296296      0.391243      2.878344
  H       0.626222     -1.711865      4.148468
  H      -0.951211     -0.903546      4.253807
  H      -0.230482     -3.306336      2.487767
  H      -1.074751     -3.355085      4.026172
  H      -1.520132     -3.062417      0.406739
  H      -1.641611     -1.366168      0.877187
  H      -3.353377     -1.973985     -0.866172
  H      -4.030419     -3.193169      0.229169
  H      -5.381998     -1.113891      0.370776
  H      -3.931177     -0.168126      0.741293
  H      -5.160316     -0.692398      2.849873
  H      -5.132359     -2.419014      2.447339
  H      -3.383405     -1.897282      4.123656
  H      -2.688608     -0.688113      3.035320
  H      -9.974235     -7.788934      6.404452
  H     -10.257779     -6.842708      4.919488
  H     -10.408140     -8.608897      4.870650
  H      -8.108886     -8.842059      5.104727
  H      -7.674984     -7.003140      6.684259
  H      -6.507072     -7.233428      5.375243
  H      -7.046474     -4.916420      5.833814
  H      -8.753947     -5.149873      5.466461
  H      -8.737913     -6.470665      2.774095
  H      -9.525472     -4.965357      3.220179
  H      -9.429074     -4.709020      0.902746
  H      -7.907600     -5.571646      0.717766
  H      -7.974775     -2.910139      0.424021
  H      -6.590477     -3.684987      1.209730
  H      -9.007698     -2.541511      2.697214
  H      -7.465596     -1.705609      2.531385
  H      -6.335240     -3.172288      4.010983
  H      -7.942670     -3.112361      4.716906
  H      -1.368443     -0.608197      8.511310
  H      -0.337934     -0.165634      7.131361
  H       0.297459     -1.237682      8.419428
  H      -0.477379     -2.378057      6.328623
  H      -2.163485     -2.966681      8.650029
  H      -0.521663     -3.591793      8.469227
  H      -1.448531     -4.399583      6.075381
  H      -1.572861     -5.389318      7.524715
  H      -3.596009     -6.265747      8.229814
  H      -5.145150     -5.647268      7.653023
  H      -4.913036     -5.073930      9.991520
  H      -3.303405     -4.410184      9.772127
  H      -5.759247     -2.935574      9.688987
  H      -4.167003     -2.321147      9.255827
  H      -5.719070     -1.940023      7.384311
  H      -6.162601     -3.645495      7.344752
  H      -3.424673     -2.416824      6.673908
  H      -4.547937     -3.215383      5.568968
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5661750-81eQ/orca E -5767.904068394520
  N      -2.954731     -4.054133      2.565596
  C      -2.320762     -5.097508      1.751681
  C      -2.330466     -6.416599      2.509072
  N      -3.660380     -6.628359      3.149402
  C      -4.672508     -7.096807      2.164586
  C      -6.084414     -6.818341      2.664778
  N      -6.140727     -5.470776      3.230104
  Mo     -4.358914     -4.746938      3.828078
  N      -3.673617     -5.390892      5.561571
  C      -3.012713     -6.702092      5.527791
  C      -3.559552     -7.504770      4.351760
  H      -3.190203     -7.291377      6.446914
  H      -1.909722     -6.612099      5.437647
  H      -4.578419     -7.846489      4.578923
  H      -2.932047     -8.391693      4.141145
  H      -6.763453     -6.940891      1.800739
  H      -6.394389     -7.600974      3.381684
  H      -4.487052     -6.528802      1.242139
  H      -4.530411     -8.172503      1.947977
  H      -1.264542     -4.874592      1.515671
  H      -2.823612     -5.215474      0.768549
  H      -1.589345     -6.370850      3.318882
  H      -2.083219     -7.275378      1.857902
  C       1.164162     -0.958594      1.666643
  N       0.044687     -0.508221      2.485581
  C      -0.294481     -1.433217      3.568746
  C      -0.948009     -2.744532      3.120372
  C      -2.333031     -2.711775      2.407215
  C      -2.168892     -2.333842      0.914053
  C      -3.510461     -2.219466      0.189127
  C      -4.396368     -1.163237      0.852945
  C      -4.575318     -1.477098      2.336970
  C      -3.236685     -1.648470      3.053407
  C      -9.826213     -7.782837      5.313413
  N      -8.429350     -7.894625      4.903368
  C      -7.548038     -6.941033      5.584027
  C      -7.740038     -5.479013      5.187547
  C      -7.453446     -5.001668      3.731996
  C      -8.606360     -5.382105      2.781110
  C      -8.431993     -4.841144      1.348072
  C      -7.672699     -3.502128      1.301235
  C      -7.923732     -2.708977      2.581611
  C      -7.396693     -3.449192      3.820166
  C      -0.583616     -0.996746      7.825676
  N      -1.124044     -2.114813      7.064040
  C      -1.414617     -3.282361      7.897901
  C      -1.929508     -4.460218      7.061302
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  C      -4.142555     -5.334962      7.997591
  C      -4.285289     -4.504045      9.279688
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  C      -5.321634     -2.946744      7.553412
  C      -4.152611     -3.227391      6.608586
  H       2.047443     -1.280141      2.261636
  H       1.475798     -0.149183      0.992292
  H       0.860295     -1.808857      1.039058
  H       0.277848      0.396610      2.894519
  H       0.611340     -1.709170      4.160788
  H      -0.969114     -0.906070      4.259753
  H      -0.234724     -3.301866      2.490417
  H      -1.084400     -3.355512      4.026803
  H      -1.518973     -3.064773      0.408562
  H      -1.640581     -1.367536      0.875058
  H      -3.346710     -1.973808     -0.872452
  H      -4.027756     -3.193900      0.219603
  H      -5.378629     -1.113104      0.355918
  H      -3.927626     -0.169472      0.733986
  H      -5.168531     -0.693240      2.835131
  H      -5.138296     -2.419697      2.434254
  H      -3.397719     -1.898598      4.116130
  H      -2.697311     -0.688323      3.032765
  H      -9.968474     -7.789666      6.415530
  H     -10.258090     -6.847105      4.928891
  H     -10.402444     -8.614106      4.883308
  H      -8.102204     -8.839468      5.113490
  H      -7.674628     -6.994497      6.689744
  H      -6.505260     -7.226557      5.381395
  H      -7.050292     -4.908970      5.833269
  H      -8.756861     -5.147608      5.464044
  H      -8.741957     -6.472376      2.778322
  H      -9.528623     -4.965756      3.220160
  H      -9.432282     -4.715660      0.901897
  H      -7.911559     -5.579619      0.719274
  H      -7.978454     -2.918829      0.418708
  H      -6.593208     -3.691905      1.205183
  H      -9.009792     -2.543285      2.691203
  H      -7.466347     -1.709950      2.521700
  H      -6.337412     -3.171900      4.007408
  H      -7.946920     -3.109916      4.711420
  H      -1.353889     -0.618554      8.516522
  H      -0.313051     -0.178402      7.143332
  H       0.309110     -1.257132      8.434063
  H      -0.459578     -2.387960      6.335755
  H      -2.157851     -2.971813      8.648380
  H      -0.518621     -3.604492      8.474114
  H      -1.443689     -4.400894      6.072261
  H      -1.570243     -5.396373      7.517096
  H      -3.595855     -6.261234      8.230620
  H      -5.141994     -5.642758      7.648770
  H      -4.916341     -5.065500      9.986381
  H      -3.305625     -4.405534      9.772051
  H      -5.757774     -2.928058      9.679525
  H      -4.164076     -2.315385      9.254239
  H      -5.705164     -1.929231      7.375466
  H      -6.157350     -3.633399      7.337097
  H      -3.411937     -2.415784      6.668695
  H      -4.537328     -3.210974      5.563314
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5661750-81eQ/orca E -5767.904094487055
  N      -2.957710     -4.053416      2.560486
  C      -2.325339     -5.096970      1.745769
  C      -2.332464     -6.414916      2.504930
  N      -3.661060     -6.627971      3.147094
  C      -4.674478     -7.098545      2.165052
  C      -6.085535     -6.821154      2.668814
  N      -6.141998     -5.471777      3.229248
  Mo     -4.360157     -4.745924      3.825371
  N      -3.671381     -5.388491      5.558654
  C      -3.009413     -6.698580      5.524725
  C      -3.557381     -7.502596      4.350247
  H      -3.185693     -7.287948      6.443960
  H      -1.906690     -6.608198      5.433812
  H      -4.575556     -7.844390      4.579637
  H      -2.929651     -8.389205      4.139073
  H      -6.767367     -6.947731      1.807676
  H      -6.391588     -7.601921      3.389291
  H      -4.492941     -6.531253      1.241451
  H      -4.532412     -8.174304      1.948575
  H      -1.269572     -4.874294      1.507433
  H      -2.830244     -5.216618      0.763844
  H      -1.590460     -6.365692      3.313836
  H      -2.083803     -7.275009      1.856018
  C       1.170480     -0.964685      1.664348
  N       0.049856     -0.512823      2.481656
  C      -0.291441     -1.435895      3.565748
  C      -0.949457     -2.746645      3.119492
  C      -2.334491     -2.711069      2.405558
  C      -2.168095     -2.330686      0.913225
  C      -3.508178     -2.208152      0.186898
  C      -4.390636     -1.151346      0.853843
  C      -4.575047     -1.472102      2.335628
  C      -3.238278     -1.649259      3.054816
  C      -9.822269     -7.785976      5.322939
  N      -8.425562     -7.893283      4.910959
  C      -7.546929     -6.935591      5.588914
  C      -7.742058     -5.475538      5.187850
  C      -7.454006     -5.001609      3.731095
  C      -8.607192     -5.384383      2.781381
  C      -8.432000     -4.847182      1.347040
  C      -7.673996     -3.507721      1.296787
  C      -7.924804     -2.711822      2.575747
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  C      -0.587240     -0.995433      7.831271
  N      -1.127580     -2.112714      7.067907
  C      -1.418523     -3.280825      7.900737
  C      -1.930377     -4.459107      7.062218
  C      -3.462342     -4.602958      6.813428
  C      -4.143585     -5.337462      7.994011
  C      -4.287821     -4.510468      9.278552
  C      -4.895993     -3.108847      9.018138
  C      -5.320886     -2.947775      7.556223
  C      -4.153950     -3.228071      6.608784
  H       2.054126     -1.281270      2.260408
  H       1.481690     -0.157700      0.986690
  H       0.867158     -1.818608      1.041157
  H       0.282464      0.393268      2.889585
  H       0.614229     -1.713601      4.157075
  H      -0.963932     -0.906589      4.257325
  H      -0.237240     -3.307203      2.490919
  H      -1.088680     -3.354310      4.027795
  H      -1.521387     -3.065189      0.408295
  H      -1.635052     -1.367034      0.875049
  H      -3.341463     -1.957567     -0.873014
  H      -4.028998     -3.180970      0.211752
  H      -5.370975     -1.092083      0.354004
  H      -3.914311     -0.159964      0.743061
  H      -5.168566     -0.689394      2.835642
  H      -5.140074     -2.414009      2.426988
  H      -3.403281     -1.906425      4.115473
  H      -2.697590     -0.689829      3.042015
  H      -9.961971     -7.790187      6.425699
  H     -10.258209     -6.853247      4.936408
  H     -10.395474     -8.620586      4.895826
  H      -8.094553     -8.836446      5.121435
  H      -7.675086     -6.985298      6.694760
  H      -6.503561     -7.219055      5.387468
  H      -7.056699     -4.901104      5.834152
  H      -8.760825     -5.146530      5.459733
  H      -8.742661     -6.474741      2.781650
  H      -9.529614     -4.967301      3.219485
  H      -9.431990     -4.723201      0.900225
  H      -7.911306     -5.587082      0.720122
  H      -7.981432     -2.926649      0.413536
  H      -6.594361     -3.696102      1.200259
  H      -9.010559     -2.545081      2.685990
  H      -7.466839     -1.713207      2.513206
  H      -6.338398     -3.171553      4.002910
  H      -7.949281     -3.107450      4.705426
  H      -1.359760     -0.614989      8.518325
  H      -0.311721     -0.178602      7.149276
  H       0.301642     -1.258109      8.444093
  H      -0.462411     -2.385276      6.340331
  H      -2.163413     -2.971143      8.649953
  H      -0.522910     -3.600610      8.478939
  H      -1.442051     -4.398312      6.074293
  H      -1.571190     -5.395207      7.517847
  H      -3.596975     -6.264261      8.225753
  H      -5.142652     -5.644383      7.643269
  H      -4.923319     -5.072959      9.980321
  H      -3.309769     -4.416271      9.775251
  H      -5.756031     -2.932120      9.682458
  H      -4.160670     -2.320953      9.258795
  H      -5.702663     -1.929603      7.380421
  H      -6.157704     -3.632815      7.340520
  H      -3.414615     -2.415504      6.666626
  H      -4.541816     -3.212394      5.564739
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5661750-81eQ/orca E -5767.904135777893
  N      -2.967434     -4.044303      2.567214
  C      -2.330690     -5.085727      1.753526
  C      -2.340368     -6.406355      2.508189
  N      -3.671230     -6.622196      3.144710
  C      -4.682733     -7.089597      2.158766
  C      -6.094258     -6.816022      2.663188
  N      -6.152966     -5.468427      3.227831
  Mo     -4.372405     -4.742034      3.826349
  N      -3.685437     -5.388766      5.558856
  C      -3.026886     -6.700866      5.522930
  C      -3.572441     -7.500630      4.344975
  H      -3.207006     -7.292361      6.439719
  H      -1.924131     -6.612249      5.435126
  H      -4.591929     -7.840750      4.570227
  H      -2.945642     -8.387641      4.133106
  H      -6.775051     -6.941802      1.801576
  H      -6.398422     -7.598709      3.381819
  H      -4.500365     -6.519336      1.237496
  H      -4.539680     -8.164546      1.938944
  H      -1.274029     -4.861815      1.520890
  H      -2.830970     -5.203372      0.769098
  H      -1.600663     -6.358967      3.319601
  H      -2.089640     -7.263880      1.856667
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  N       0.021645     -0.490439      2.519377
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  C      -0.987987     -2.713563      3.177140
  C      -2.350498     -2.698119      2.419348
  C      -2.141679     -2.329340      0.929793
  C      -3.458380     -2.223117      0.159521
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  C      -3.284759     -1.639878      3.032126
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  N      -8.406650     -7.911463      4.908493
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  C      -7.465695     -5.005959      3.734634
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  C      -8.450135     -4.850371      1.352936
  C      -7.698392     -3.507223      1.304315
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  C      -3.465789     -4.603768      6.811448
  C      -4.163508     -5.319601      7.993590
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  C      -5.281392     -2.902902      7.555458
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  H       2.035698     -1.249114      2.364294
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  H       0.240011      0.426024      2.913745
  H       0.545143     -1.655213      4.232613
  H      -1.036281     -0.850536      4.276300
  H      -0.256157     -3.287556      2.583991
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  H      -1.473221     -3.063151      0.452021
  H      -1.615344     -1.361817      0.901198
  H      -3.258487     -1.979412     -0.896444
  H      -3.972623     -3.199385      0.175066
  H      -5.333671     -1.118125      0.257553
  H      -3.896172     -0.173670      0.688146
  H      -5.216278     -0.698481      2.742739
  H      -5.159042     -2.425529      2.345203
  H      -3.481155     -1.891614      4.088864
  H      -2.753170     -0.675236      3.029804
  H      -9.943291     -7.828269      6.423842
  H     -10.252423     -6.896257      4.934518
  H     -10.366425     -8.664661      4.894957
  H      -8.063723     -8.850562      5.116654
  H      -7.665169     -6.997535      6.693618
  H      -6.492579     -7.216459      5.384767
  H      -7.071122     -4.906386      5.838337
  H      -8.771711     -5.169129      5.463119
  H      -8.749260     -6.483583      2.783592
  H      -9.543044     -4.981563      3.227868
  H      -9.451659     -4.729685      0.908963
  H      -7.927419     -5.586234      0.722763
  H      -8.010242     -2.925195      0.423259
  H      -6.618159     -3.690274      1.204618
  H      -9.035153     -2.553110      2.698835
  H      -7.495866     -1.714169      2.526066
  H      -6.359785     -3.171600      4.010807
  H      -7.969982     -3.118235      4.713972
  H      -1.273729     -0.634652      8.464829
  H      -0.212171     -0.247759      7.091768
  H       0.370290     -1.322022      8.403180
  H      -0.422072     -2.457045      6.311898
  H      -2.135062     -2.976885      8.629973
  H      -0.506571     -3.640947      8.467962
  H      -1.439195     -4.451808      6.074526
  H      -1.592777     -5.426188      7.530919
  H      -3.639773     -6.260429      8.225301
  H      -5.171380     -5.601465      7.645505
  H      -4.934817     -5.031599      9.979875
  H      -3.302382     -4.421728      9.772657
  H      -5.700464     -2.864168      9.684948
  H      -4.089247     -2.304755      9.245273
  H      -5.637828     -1.876895      7.377738
  H      -6.135528     -3.567181      7.346396
  H      -3.371198     -2.420510      6.649591
  H      -4.522020     -3.199826      5.560349
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5661750-81eQ/orca E -5767.904172915637
  N      -2.960665     -4.040050      2.554451
  C      -2.326674     -5.081681      1.739149
  C      -2.338346     -6.403901      2.490842
  N      -3.667386     -6.617579      3.131882
  C      -4.685181     -7.080350      2.149972
  C      -6.093941     -6.804281      2.661924
  N      -6.146822     -5.456320      3.227178
  Mo     -4.361565     -4.736654      3.818660
  N      -3.671135     -5.389408      5.547946
  C      -3.014522     -6.702576      5.507578
  C      -3.565452     -7.498517      4.329782
  H      -3.194370     -7.295952      6.423311
  H      -1.911823     -6.615853      5.417802
  H      -4.584900     -7.836676      4.557827
  H      -2.941460     -8.386462      4.113728
  H      -6.778709     -6.928201      1.802834
  H      -6.396990     -7.586598      3.381810
  H      -4.505457     -6.508922      1.228779
  H      -4.546213     -8.155318      1.927376
  H      -1.269659     -4.859584      1.506885
  H      -2.827233     -5.196708      0.754765
  H      -1.595570     -6.360434      3.299648
  H      -2.092461     -7.260638      1.836458
  C       1.176501     -0.971879      1.706384
  N       0.033131     -0.492574      2.475223
  C      -0.339207     -1.376413      3.581126
  C      -0.987295     -2.701451      3.164519
  C      -2.347199     -2.692239      2.402413
  C      -2.135758     -2.328432      0.912103
  C      -3.450600     -2.232615      0.137407
  C      -4.368880     -1.178319      0.760090
  C      -4.600796     -1.483260      2.239087
  C      -3.286885     -1.634365      3.007835
  C      -9.778037     -7.794155      5.370636
  N      -8.382889     -7.883509      4.951669
  C      -7.512852     -6.907317      5.614005
  C      -7.729166     -5.453521      5.202189
  C      -7.455199     -4.988499      3.739810
  C      -8.616982     -5.383292      2.804652
  C      -8.457707     -4.857371      1.364180
  C      -7.703189     -3.516876      1.295260
  C      -7.943089     -2.709982      2.569857
  C      -7.403858     -3.435476      3.811601
  C      -0.553797     -1.046615      7.870144
  N      -1.108988     -2.150971      7.098934
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  C      -3.466752     -4.615157      6.809974
  C      -4.168148     -5.349479      7.978256
  C      -4.302380     -4.533796      9.271058
  C      -4.875761     -3.115615      9.021240
  C      -5.300648     -2.935390      7.561383
  C      -4.140605     -3.230497      6.610553
  H       2.045780     -1.259888      2.336520
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  H       0.253423      0.428586      2.856536
  H       0.549358     -1.634482      4.205618
  H      -1.028128     -0.822430      4.235411
  H      -0.257215     -3.289631      2.583022
  H      -1.161262     -3.270645      4.092152
  H      -1.461549     -3.059767      0.438851
  H      -1.614993     -1.358033      0.882246
  H      -3.248478     -1.992923     -0.919087
  H      -3.960097     -3.211315      0.155677
  H      -5.331771     -1.136847      0.225586
  H      -3.899960     -0.182887      0.655412
  H      -5.222297     -0.703677      2.709249
  H      -5.155973     -2.432134      2.319722
  H      -3.484271     -1.881542      4.065091
  H      -2.759666     -0.667339      3.001750
  H      -9.911366     -7.785701      6.474358
  H     -10.232281     -6.874684      4.974626
  H     -10.339805     -8.644051      4.959458
  H      -8.035756     -8.819336      5.167497
  H      -7.632408     -6.947843      6.721549
  H      -6.467531     -7.179340      5.408079
  H      -7.047224     -4.865683      5.840278
  H      -8.749692     -5.135428      5.478531
  H      -8.748567     -6.474064      2.814419
  H      -9.536644     -4.966290      3.248465
  H      -9.462453     -4.739272      0.926393
  H      -7.941295     -5.601245      0.738484
  H      -8.019660     -2.943853      0.409900
  H      -6.624036     -3.703690      1.190350
  H      -9.028229     -2.544462      2.687968
  H      -7.488358     -1.710774      2.495406
  H      -6.344871     -3.152206      3.990873
  H      -7.951964     -3.090536      4.702140
  H      -1.323578     -0.652593      8.551985
  H      -0.256296     -0.234102      7.192662
  H       0.326106     -1.326996      8.488470
  H      -0.445995     -2.428086      6.371215
  H      -2.167267     -3.008042      8.668473
  H      -0.529609     -3.650716      8.506875
  H      -1.434718     -4.430982      6.093942
  H      -1.591134     -5.430386      7.532444
  H      -3.639971     -6.289362      8.202047
  H      -5.171008     -5.633524      7.619864
  H      -4.954399     -5.089115      9.963197
  H      -3.324918     -4.467553      9.773011
  H      -5.728581     -2.921940      9.689614
  H      -4.118705     -2.351477      9.262076
  H      -5.662441     -1.909238      7.392731
  H      -6.149866     -3.602720      7.340523
  H      -3.389849     -2.429620      6.667432
  H      -4.530200     -3.209482      5.567086
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5661750-81eQ/orca E -5767.904215883967
  N      -2.966904     -4.040952      2.545715
  C      -2.328572     -5.082755      1.734242
  C      -2.339241     -6.403978      2.488166
  N      -3.667375     -6.619020      3.130187
  C      -4.684695     -7.085729      2.150012
  C      -6.093558     -6.810699      2.661969
  N      -6.148907     -5.460831      3.222624
  Mo     -4.364463     -4.738058      3.812940
  N      -3.672979     -5.385384      5.543721
  C      -3.013398     -6.697238      5.506542
  C      -3.562559     -7.497176      4.330253
  H      -3.191894     -7.288673      6.423980
  H      -1.910749     -6.608342      5.416681
  H      -4.580911     -7.838203      4.559314
  H      -2.936076     -8.383805      4.115897
  H      -6.778526     -6.939153      1.803692
  H      -6.394916     -7.591073      3.385059
  H      -4.506270     -6.515791      1.227494
  H      -4.543810     -8.160958      1.929824
  H      -1.270885     -4.858928      1.505635
  H      -2.825286     -5.199865      0.747957
  H      -1.596968     -6.358713      3.297164
  H      -2.091729     -7.261185      1.835064
  C       1.198409     -1.003172      1.719284
  N       0.060356     -0.520949      2.493899
  C      -0.320067     -1.413115      3.590301
  C      -0.984201     -2.726607      3.162062
  C      -2.345353     -2.695965      2.404543
  C      -2.139178     -2.315088      0.917517
  C      -3.458324     -2.201155      0.152274
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  C      -4.590769     -1.469406      2.270071
  C      -3.273393     -1.639076      3.028055
  C      -9.772408     -7.806607      5.368126
  N      -8.379704     -7.894493      4.940638
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  C      -8.621548     -5.392015      2.806547
  C      -8.471982     -4.861177      1.366892
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  C      -0.568112     -1.022103      7.843468
  N      -1.117634     -2.132805      7.077380
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  C      -3.469302     -4.605965      6.802698
  C      -4.166883     -5.338113      7.974554
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  C      -4.149838     -3.224935      6.597787
  H       2.065566     -1.306307      2.346119
  H       1.529790     -0.217506      1.026496
  H       0.905027     -1.874352      1.115230
  H       0.289814      0.393353      2.885042
  H       0.566700     -1.687343      4.210805
  H      -1.001510     -0.858755      4.252002
  H      -0.263307     -3.319853      2.574157
  H      -1.164208     -3.300340      4.085447
  H      -1.472617     -3.043804      0.430331
  H      -1.612254     -1.347888      0.896809
  H      -3.261028     -1.950007     -0.902447
  H      -3.974689     -3.176441      0.161506
  H      -5.331563     -1.094068      0.265613
  H      -3.890571     -0.155044      0.697261
  H      -5.202614     -0.690502      2.753400
  H      -5.152921     -2.414446      2.344295
  H      -3.466161     -1.898308      4.083443
  H      -2.738777     -0.676064      3.031373
  H      -9.899633     -7.803832      6.472491
  H     -10.228543     -6.884744      4.979303
  H     -10.336951     -8.654262      4.955736
  H      -8.031624     -8.831661      5.149702
  H      -7.617454     -6.968855      6.710563
  H      -6.461145     -7.192319      5.387936
  H      -7.039814     -4.881049      5.837268
  H      -8.744375     -5.149811      5.482317
  H      -8.749244     -6.483320      2.813549
  H      -9.540509     -4.979541      3.255949
  H      -9.479527     -4.744644      0.935026
  H      -7.957097     -5.601519      0.735900
  H      -8.043817     -2.944176      0.415435
  H      -6.642337     -3.701956      1.187924
  H      -9.042971     -2.554360      2.699321
  H      -7.506804     -1.715008      2.500930
  H      -6.350283     -3.156402      3.987147
  H      -7.954040     -3.100981      4.707056
  H      -1.340594     -0.626824      8.521659
  H      -0.272018     -0.212368      7.161956
  H       0.311392     -1.296004      8.465127
  H      -0.453097     -2.410409      6.351201
  H      -2.170486     -2.986382      8.652003
  H      -0.531920     -3.625618      8.490368
  H      -1.439607     -4.417519      6.081964
  H      -1.589468     -5.411906      7.524713
  H      -3.636091     -6.275649      8.200619
  H      -5.169149     -5.625823      7.618160
  H      -4.953026     -5.072288      9.959039
  H      -3.325355     -4.447388      9.766226
  H      -5.731281     -2.907351      9.679881
  H      -4.124162     -2.335243      9.246408
  H      -5.673396     -1.904115      7.378929
  H      -6.156766     -3.599131      7.334686
  H      -3.401914     -2.420319      6.647085
  H      -4.544320     -3.211792      5.555877
107
Coordinates from ORCA-job /scratch/magstr/orcajob__5661750-81eQ/orca E -5767.904231347355
  N      -2.971590     -4.039733      2.550263
  C      -2.330785     -5.078191      1.736851
  C      -2.337449     -6.400598      2.489047
  N      -3.664349     -6.620317      3.132084
  C      -4.681224     -7.087850      2.151854
  C      -6.090751     -6.815907      2.663665
  N      -6.148170     -5.466989      3.226227
  Mo     -4.365307     -4.742057      3.818249
  N      -3.671313     -5.390134      5.547694
  C      -3.008110     -6.700104      5.507958
  C      -3.555657     -7.500077      4.330791
  H      -3.183774     -7.293315      6.424755
  H      -1.905806     -6.607793      5.417257
  H      -4.572509     -7.845222      4.560156
  H      -2.926312     -8.384192      4.114417
  H      -6.774750     -6.943748      1.804577
  H      -6.391829     -7.597672      3.385020
  H      -4.503972     -6.516102      1.230256
  H      -4.538409     -8.162486      1.929855
  H      -1.273735     -4.851032      1.508165
  H      -2.827598     -5.195072      0.750454
  H      -1.594564     -6.354790      3.297459
  H      -2.088220     -7.256109      1.834352
  C       1.187074     -0.995757      1.736143
  N       0.047336     -0.512432      2.507751
  C      -0.336138     -1.402969      3.604414
  C      -0.998168     -2.718339      3.177777
  C      -2.354861     -2.692349      2.412826
  C      -2.144741     -2.310199      0.926911
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  C      -4.606474     -1.478470      2.271234
  C      -3.290609     -1.640595      3.033332
  C      -9.796883     -7.790645      5.361171
  N      -8.402278     -7.888400      4.942303
  C      -7.526305     -6.917592      5.604629
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  C      -8.617977     -5.393638      2.795964
  C      -8.457569     -4.868199      1.355461
  C      -7.700812     -3.529010      1.286575
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  C      -7.406604     -3.444490      3.803345
  C      -0.554062     -1.025524      7.816597
  N      -1.107659     -2.139820      7.058511
  C      -1.408553     -3.302288      7.895896
  C      -1.929999     -4.479610      7.061602
  C      -3.462737     -4.609979      6.805559
  C      -4.157487     -5.339880      7.980461
  C      -4.285781     -4.519339      9.271126
  C      -4.857905     -3.101224      9.018885
  C      -5.293339     -2.926989      7.561670
  C      -4.141605     -3.227982      6.601984
  H       2.053271     -1.296339      2.364962
  H       1.519164     -0.211932      1.041481
  H       0.895207     -1.868925      1.134258
  H       0.275525      0.402828      2.897958
  H       0.548866     -1.675172      4.228446
  H      -1.020055     -0.847862      4.263263
  H      -0.274527     -3.315486      2.597323
  H      -1.184704     -3.286618      4.103197
  H      -1.472501     -3.035256      0.441824
  H      -1.622881     -1.340208      0.908061
  H      -3.262585     -1.951585     -0.896597
  H      -3.972644     -3.182335      0.164655
  H      -5.342260     -1.107885      0.264119
  H      -3.908130     -0.160590      0.700615
  H      -5.224009     -0.702583      2.752219
  H      -5.163619     -2.426424      2.344777
  H      -3.485343     -1.901719      4.088035
  H      -2.761223     -0.674656      3.039442
  H      -9.930695     -7.781253      6.464735
  H     -10.245583     -6.868431      4.964638
  H     -10.363590     -8.637404      4.949973
  H      -8.060578     -8.826501      5.157477
  H      -7.644020     -6.959723      6.712176
  H      -6.482367     -7.193486      5.396023
  H      -7.053588     -4.878138      5.835021
  H      -8.756898     -5.140879      5.470534
  H      -8.749125     -6.484559      2.805705
  H      -9.538352     -4.976630      3.238294
  H      -9.461904     -4.748726      0.917111
  H      -7.942149     -5.612935      0.729929
  H      -8.014326     -2.956938      0.399528
  H      -6.621635     -3.717652      1.185190
  H      -9.028007     -2.553633      2.674676
  H      -7.486751     -1.721653      2.483954
  H      -6.347890     -3.161489      3.984291
  H      -7.956606     -3.098162      4.692102
  H      -1.323569     -0.625112      8.495201
  H      -0.258934     -0.220128      7.129515
  H       0.326972     -1.297263      8.436888
  H      -0.446895     -2.420905      6.330162
  H      -2.152267     -2.985256      8.642856
  H      -0.515599     -3.626998      8.475045
  H      -1.436091     -4.429589      6.075864
  H      -1.582046     -5.416849      7.524030
  H      -3.628818     -6.279328      8.204303
  H      -5.162411     -5.624115      7.628093
  H      -4.936767     -5.071191      9.967021
  H      -3.306598     -4.453066      9.770142
  H      -5.704955     -2.901753      9.693049
  H      -4.097269     -2.336865      9.250485
  H      -5.655382     -1.901149      7.391240
  H      -6.145472     -3.593841      7.350658
  H      -3.391631     -2.424993      6.644747
  H      -4.543262     -3.216486      5.562827
