111
Coordinates from ORCA-job /scratch/magstr/orcajob__5661762-f1oJ/orca E -5878.546275229196
  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
  N      -4.833081     -2.943739      5.249182
  N      -5.291621     -2.104417      6.053304
  H      -5.850485     -2.393453      6.856236
  H      -5.120024     -1.106520      5.929504
111
Coordinates from ORCA-job /scratch/magstr/orcajob__5661762-f1oJ/orca E -5878.578182305037
  N      -3.637911     -3.724505      1.904842
  C      -3.501332     -4.859833      1.017954
  C      -2.846206     -6.047788      1.737955
  N      -3.583663     -6.293877      2.984178
  C      -4.845606     -7.009869      2.727182
  C      -5.863279     -6.592084      3.788918
  N      -5.921683     -5.142337      3.824970
  Mo     -4.092566     -4.331633      3.850820
  N      -2.998479     -5.144188      5.406362
  C      -2.016352     -6.037869      4.838157
  C      -2.757303     -7.030225      3.948511
  H      -1.454263     -6.614803      5.584751
  H      -1.257882     -5.496941      4.235723
  H      -3.416355     -7.616053      4.598336
  H      -2.067461     -7.719469      3.434001
  H      -6.824720     -7.069314      3.563835
  H      -5.525009     -6.990068      4.767019
  H      -5.231347     -6.698355      1.752565
  H      -4.685012     -8.100425      2.711872
  H      -2.918632     -4.650214      0.112823
  H      -4.504923     -5.165407      0.677896
  H      -1.815509     -5.776583      1.997366
  H      -2.821127     -6.948802      1.098141
  C       1.220222     -1.696077      2.811449
  N      -0.066789     -1.032287      2.964090
  C      -1.009091     -1.760375      3.805410
  C      -1.713791     -2.927497      3.107463
  C      -2.612441     -2.675349      1.857334
  C      -1.704921     -2.599443      0.606707
  C      -2.415674     -2.186100     -0.686961
  C      -3.169153     -0.870401     -0.501623
  C      -4.121292     -1.006784      0.683517
  C      -3.333618     -1.310635      1.956991
  C     -10.445755     -5.846038      6.184290
  N      -9.172239     -6.402053      5.754650
  C      -8.015395     -5.598576      6.142229
  C      -7.783698     -4.336160      5.298442
  C      -7.250510     -4.511036      3.833703
  C      -8.328353     -5.257129      3.008011
  C      -8.040998     -5.344311      1.505138
  C      -7.491476     -4.017483      0.955717
  C      -7.863783     -2.873870      1.894369
  C      -7.132028     -3.071852      3.222458
  C      -3.580444     -0.807048      8.652836
  N      -2.980486     -1.677553      7.655016
  C      -2.176642     -2.763823      8.216733
  C      -1.871520     -3.774571      7.113168
  C      -2.908928     -4.932917      6.862725
  C      -2.411585     -6.200823      7.608871
  C      -2.538077     -6.118315      9.133306
  C      -3.970480     -5.800542      9.595883
  C      -4.895163     -5.638890      8.393640
  C      -4.342672     -4.620337      7.394205
  H       1.713656     -1.916692      3.776417
  H       1.880833     -1.060137      2.215364
  H       1.080366     -2.640772      2.277145
  H       0.081830     -0.108207      3.365642
  H      -0.493923     -2.167746      4.700810
  H      -1.762830     -1.045803      4.156464
  H      -0.964029     -3.680617      2.834161
  H      -2.415361     -3.365315      3.846939
  H      -1.175862     -3.550781      0.456806
  H      -0.948809     -1.842187      0.841127
  H      -1.668651     -2.089066     -1.486043
  H      -3.135786     -2.952797     -0.997811
  H      -3.723838     -0.623318     -1.415587
  H      -2.455895     -0.058017     -0.307195
  H      -4.699854     -0.084154      0.818142
  H      -4.823996     -1.830511      0.500499
  H      -4.027265     -1.343252      2.805144
  H      -2.595341     -0.516686      2.116518
  H     -10.489682     -5.643044      7.271558
  H     -10.629742     -4.905473      5.656065
  H     -11.246164     -6.544877      5.924716
  H      -9.069114     -7.333830      6.153175
  H      -8.110365     -5.274093      7.199709
  H      -7.126995     -6.232910      6.070732
  H      -7.044573     -3.732788      5.850835
  H      -8.716546     -3.760688      5.254704
  H      -8.512915     -6.249447      3.422732
  H      -9.261061     -4.701059      3.151188
  H      -8.979960     -5.598348      0.996200
  H      -7.335719     -6.157559      1.300438
  H      -7.868122     -3.834990     -0.058077
  H      -6.396364     -4.052701      0.910003
  H      -8.952331     -2.833257      2.034059
  H      -7.553649     -1.915271      1.460299
  H      -6.063864     -2.924851      3.029762
  H      -7.474320     -2.319255      3.941728
  H      -4.300659     -1.403762      9.228232
  H      -4.122914     -0.002392      8.146720
  H      -2.852461     -0.357793      9.351135
  H      -2.372641     -1.128153      7.040702
  H      -2.745046     -3.229684      9.029120
  H      -1.235645     -2.381433      8.658975
  H      -1.782442     -3.213682      6.175728
  H      -0.891895     -4.232643      7.301047
  H      -1.352450     -6.375952      7.384838
  H      -2.974160     -7.065729      7.236950
  H      -2.211277     -7.077703      9.551854
  H      -1.840906     -5.357950      9.503270
  H      -4.350257     -6.595422     10.248990
  H      -3.981651     -4.872714     10.181838
  H      -5.880980     -5.301261      8.735709
  H      -5.039552     -6.608688      7.902385
  H      -4.378684     -3.636047      7.863456
  H      -4.983133     -4.614225      6.513690
  N      -4.847117     -2.834453      5.082970
  N      -5.306199     -1.929715      5.820310
  H      -5.896410     -2.151421      6.633138
  H      -5.104819     -0.940174      5.644510
111
Coordinates from ORCA-job /scratch/magstr/orcajob__5661762-f1oJ/orca E -5878.599712393200
  N      -3.633574     -3.726612      1.912065
  C      -3.498913     -4.863788      1.006590
  C      -2.845942     -6.055708      1.712734
  N      -3.589336     -6.310421      2.971003
  C      -4.864478     -7.026525      2.711897
  C      -5.875010     -6.608414      3.776075
  N      -5.932000     -5.147292      3.812058
  Mo     -4.099400     -4.330793      3.851056
  N      -2.997140     -5.158539      5.404237
  C      -2.014600     -6.071145      4.825334
  C      -2.757071     -7.060123      3.940384
  H      -1.450785     -6.651673      5.567392
  H      -1.252246     -5.536310      4.217839
  H      -3.420118     -7.648012      4.589718
  H      -2.073104     -7.753199      3.416402
  H      -6.840795     -7.082340      3.548731
  H      -5.541441     -7.013910      4.754907
  H      -5.250603     -6.710356      1.734655
  H      -4.702795     -8.119553      2.691168
  H      -2.915983     -4.644524      0.099718
  H      -4.505444     -5.165301      0.660065
  H      -1.811832     -5.789193      1.976946
  H      -2.821820     -6.957680      1.068737
  C       1.249997     -1.676996      2.815846
  N      -0.038501     -1.008316      2.978497
  C      -0.982988     -1.747858      3.815235
  C      -1.688342     -2.910449      3.110863
  C      -2.599709     -2.663094      1.867781
  C      -1.711771     -2.595229      0.603858
  C      -2.443004     -2.176996     -0.681073
  C      -3.191567     -0.853700     -0.483020
  C      -4.126342     -0.983040      0.721995
  C      -3.321467     -1.296498      1.986166
  C     -10.447401     -5.878258      6.200059
  N      -9.172279     -6.435204      5.760724
  C      -8.013549     -5.616824      6.137973
  C      -7.802226     -4.354021      5.287105
  C      -7.278270     -4.516392      3.817561
  C      -8.335208     -5.286257      2.984444
  C      -8.043200     -5.364384      1.478451
  C      -7.526790     -4.019640      0.926404
  C      -7.933411     -2.885508      1.870586
  C      -7.197623     -3.065209      3.203262
  C      -3.553828     -0.819307      8.682553
  N      -2.930915     -1.681674      7.689878
  C      -2.142287     -2.782830      8.249652
  C      -1.841457     -3.791903      7.138475
  C      -2.900287     -4.932949      6.878646
  C      -2.424770     -6.203500      7.638341
  C      -2.554601     -6.101432      9.164708
  C      -3.987949     -5.753468      9.624108
  C      -4.909177     -5.586040      8.416341
  C      -4.336677     -4.585871      7.404905
  H       1.746189     -1.917504      3.780406
  H       1.920202     -1.036130      2.226103
  H       1.110185     -2.618682      2.264656
  H       0.108657     -0.087645      3.394326
  H      -0.470165     -2.166570      4.710108
  H      -1.740513     -1.035739      4.175324
  H      -0.941559     -3.671685      2.833278
  H      -2.383264     -3.344787      3.860619
  H      -1.186084     -3.553599      0.450360
  H      -0.943560     -1.839524      0.829121
  H      -1.707038     -2.085859     -1.496904
  H      -3.174402     -2.944740     -0.981695
  H      -3.761143     -0.601291     -1.392235
  H      -2.467834     -0.039991     -0.301111
  H      -4.704258     -0.056273      0.868571
  H      -4.839347     -1.805706      0.545476
  H      -4.001618     -1.333519      2.853343
  H      -2.575420     -0.501154      2.143295
  H     -10.484557     -5.665945      7.291256
  H     -10.644950     -4.935769      5.668255
  H     -11.255844     -6.580561      5.952428
  H      -9.063961     -7.367711      6.162711
  H      -8.100201     -5.286602      7.198620
  H      -7.115322     -6.246554      6.064738
  H      -7.062946     -3.737861      5.832276
  H      -8.746553     -3.784729      5.250164
  H      -8.502826     -6.285617      3.401286
  H      -9.284688     -4.749283      3.128852
  H      -8.978202     -5.642751      0.965746
  H      -7.316866     -6.165754      1.272234
  H      -7.906580     -3.846487     -0.092626
  H      -6.426015     -4.026813      0.878434
  H      -9.028863     -2.875537      2.007134
  H      -7.650948     -1.911637      1.439278
  H      -6.137838     -2.875048      3.007860
  H      -7.556468     -2.324328      3.931915
  H      -4.300066     -1.426191      9.225559
  H      -4.085238     -0.001516      8.173075
  H      -2.849990     -0.374501      9.418193
  H      -2.306779     -1.134429      7.088084
  H      -2.727721     -3.252536      9.054885
  H      -1.200687     -2.416288      8.715052
  H      -1.733724     -3.226746      6.203238
  H      -0.866352     -4.271290      7.330524
  H      -1.364852     -6.399386      7.420565
  H      -3.001843     -7.067780      7.270872
  H      -2.240715     -7.063891      9.596778
  H      -1.841262     -5.346084      9.530218
  H      -4.382622     -6.536597     10.290498
  H      -3.984835     -4.815421     10.203560
  H      -5.895621     -5.228069      8.752467
  H      -5.069721     -6.563405      7.933436
  H      -4.355556     -3.588820      7.862519
  H      -4.980188     -4.567846      6.522943
  N      -4.778024     -2.840648      4.976197
  N      -5.214495     -1.886785      5.682895
  H      -5.811923     -2.055531      6.509668
  H      -4.984097     -0.903010      5.479018
111
Coordinates from ORCA-job /scratch/magstr/orcajob__5661762-f1oJ/orca E -5878.614605457466
  N      -3.630745     -3.735117      1.932248
  C      -3.490052     -4.870929      1.014069
  C      -2.838804     -6.065388      1.708710
  N      -3.588816     -6.330665      2.968926
  C      -4.867951     -7.048499      2.703968
  C      -5.878993     -6.631998      3.765781
  N      -5.940353     -5.165531      3.800484
  Mo     -4.112081     -4.335040      3.859204
  N      -3.003983     -5.176186      5.406172
  C      -2.017899     -6.095435      4.826959
  C      -2.755274     -7.086145      3.943686
  H      -1.453772     -6.672259      5.573094
  H      -1.253635     -5.562179      4.219762
  H      -3.423550     -7.676721      4.586570
  H      -2.073097     -7.778630      3.415675
  H      -6.844145     -7.104930      3.534357
  H      -5.552938     -7.039454      4.746011
  H      -5.248209     -6.730686      1.723755
  H      -4.701154     -8.141303      2.680030
  H      -2.906440     -4.639797      0.109951
  H      -4.495324     -5.169240      0.659369
  H      -1.805643     -5.801240      1.982566
  H      -2.810501     -6.966456      1.062914
  C       1.248028     -1.635385      2.818591
  N      -0.042538     -0.971278      2.986237
  C      -0.979219     -1.720659      3.827499
  C      -1.675157     -2.889454      3.126608
  C      -2.597951     -2.655543      1.889775
  C      -1.728510     -2.592627      0.615616
  C      -2.479076     -2.179428     -0.660801
  C      -3.230613     -0.856566     -0.456252
  C      -4.148684     -0.981403      0.763359
  C      -3.328454     -1.294380      2.017847
  C     -10.437897     -5.840261      6.219768
  N      -9.174000     -6.416828      5.770546
  C      -8.003464     -5.604109      6.133183
  C      -7.795991     -4.350496      5.270991
  C      -7.288030     -4.522170      3.801755
  C      -8.345110     -5.292306      2.971112
  C      -8.051543     -5.377280      1.465410
  C      -7.528692     -4.036646      0.904939
  C      -7.932084     -2.896393      1.844810
  C      -7.199670     -3.073405      3.180827
  C      -3.539296     -0.825712      8.713880
  N      -2.912346     -1.677285      7.715284
  C      -2.132716     -2.790893      8.263519
  C      -1.844014     -3.803232      7.148877
  C      -2.909173     -4.938689      6.883862
  C      -2.430839     -6.208294      7.638706
  C      -2.555572     -6.103755      9.166279
  C      -3.991023     -5.755380      9.629987
  C      -4.916117     -5.588377      8.423310
  C      -4.347237     -4.588994      7.408283
  H       1.748692     -1.881468      3.780995
  H       1.918835     -0.992506      2.229370
  H       1.112476     -2.576428      2.262390
  H       0.098987     -0.051408      3.406278
  H      -0.464469     -2.137231      4.723019
  H      -1.742389     -1.015199      4.191609
  H      -0.928282     -3.653239      2.850558
  H      -2.358796     -3.320354      3.889866
  H      -1.200741     -3.551157      0.463085
  H      -0.956223     -1.834321      0.828546
  H      -1.755869     -2.091042     -1.489523
  H      -3.212813     -2.951419     -0.949153
  H      -3.812675     -0.606708     -1.359503
  H      -2.505068     -0.039135     -0.288712
  H      -4.730178     -0.056492      0.916049
  H      -4.863801     -1.805383      0.595690
  H      -3.993306     -1.336979      2.898156
  H      -2.582844     -0.495430      2.169908
  H     -10.462165     -5.616360      7.310482
  H     -10.634157     -4.898227      5.683848
  H     -11.261384     -6.532591      5.988129
  H      -9.073595     -7.347692      6.178476
  H      -8.073914     -5.265370      7.193072
  H      -7.109247     -6.241543      6.058708
  H      -7.046806     -3.731629      5.800891
  H      -8.737633     -3.772687      5.240960
  H      -8.522823     -6.288982      3.392922
  H      -9.293556     -4.749885      3.115922
  H      -8.987821     -5.655514      0.952694
  H      -7.329534     -6.184905      1.261965
  H      -7.905137     -3.867396     -0.116937
  H      -6.426780     -4.050777      0.855434
  H      -9.029275     -2.882077      1.977250
  H      -7.647513     -1.922494      1.411909
  H      -6.138774     -2.878642      2.986094
  H      -7.552099     -2.330866      3.912330
  H      -4.298633     -1.435099      9.238776
  H      -4.064614      0.003195      8.212915
  H      -2.847331     -0.390646      9.469241
  H      -2.285170     -1.130713      7.117434
  H      -2.723311     -3.257643      9.068185
  H      -1.187070     -2.439175      8.734655
  H      -1.730187     -3.237709      6.213733
  H      -0.871763     -4.291859      7.340100
  H      -1.371049     -6.404768      7.415570
  H      -3.008079     -7.074934      7.272464
  H      -2.237115     -7.065084      9.600093
  H      -1.840106     -5.347711      9.530123
  H      -4.381993     -6.537403     10.301514
  H      -3.987679     -4.815629     10.209254
  H      -5.904958     -5.232290      8.758823
  H      -5.077295     -6.568415      7.942800
  H      -4.365016     -3.586965      7.858918
  H      -4.996043     -4.565133      6.527279
  N      -4.723731     -2.873211      4.864654
  N      -5.144467     -1.872444      5.534174
  H      -5.747650     -1.989025      6.361563
  H      -4.886654     -0.903158      5.300771
111
Coordinates from ORCA-job /scratch/magstr/orcajob__5661762-f1oJ/orca E -5878.621677600114
  N      -3.615283     -3.741750      1.965293
  C      -3.477915     -4.867197      1.031173
  C      -2.841082     -6.075373      1.707718
  N      -3.596634     -6.352349      2.961928
  C      -4.879278     -7.060077      2.690341
  C      -5.889082     -6.640867      3.751411
  N      -5.948354     -5.175994      3.786043
  Mo     -4.121281     -4.339151      3.874746
  N      -3.010649     -5.208960      5.405905
  C      -2.029352     -6.129288      4.821181
  C      -2.768184     -7.116451      3.934869
  H      -1.465389     -6.705045      5.567253
  H      -1.263412     -5.596990      4.215400
  H      -3.442729     -7.708753      4.568797
  H      -2.091131     -7.807603      3.399646
  H      -6.857473     -7.104774      3.514586
  H      -5.573998     -7.053215      4.732365
  H      -5.251098     -6.736687      1.709061
  H      -4.715280     -8.153007      2.661102
  H      -2.892677     -4.623817      0.132473
  H      -4.483636     -5.149754      0.667055
  H      -1.807903     -5.824850      1.993409
  H      -2.816177     -6.970638      1.054814
  C       1.247551     -1.602821      2.808465
  N      -0.039442     -0.939424      2.991159
  C      -0.962740     -1.692520      3.846024
  C      -1.653914     -2.870133      3.156023
  C      -2.593758     -2.645610      1.929150
  C      -1.746410     -2.574496      0.642789
  C      -2.521393     -2.166608     -0.619628
  C      -3.286262     -0.854906     -0.402403
  C      -4.183547     -0.986019      0.830947
  C      -3.343512     -1.297639      2.070694
  C     -10.423994     -5.799040      6.225225
  N      -9.166907     -6.387816      5.776453
  C      -7.991719     -5.575144      6.123510
  C      -7.792498     -4.334453      5.245140
  C      -7.293162     -4.523951      3.779822
  C      -8.342538     -5.311587      2.961188
  C      -8.041889     -5.417636      1.459054
  C      -7.523083     -4.084743      0.877054
  C      -7.932432     -2.931846      1.795648
  C      -7.205970     -3.087405      3.136313
  C      -3.511046     -0.841348      8.740719
  N      -2.892704     -1.677645      7.725657
  C      -2.119100     -2.804360      8.253760
  C      -1.848971     -3.823177      7.139320
  C      -2.918484     -4.954247      6.877572
  C      -2.443922     -6.216871      7.643670
  C      -2.563707     -6.091857      9.169745
  C      -3.997398     -5.731897      9.630857
  C      -4.923431     -5.576490      8.423893
  C      -4.352867     -4.593778      7.395935
  H       1.758605     -1.854577      3.763270
  H       1.914025     -0.961086      2.214315
  H       1.106608     -2.541115      2.250319
  H       0.106232     -0.020320      3.410620
  H      -0.440569     -2.102215      4.740014
  H      -1.726882     -0.992313      4.216556
  H      -0.910439     -3.636640      2.880520
  H      -2.320788     -3.298556      3.937637
  H      -1.210792     -3.526510      0.484473
  H      -0.975916     -1.811102      0.843820
  H      -1.815402     -2.071010     -1.461345
  H      -3.249605     -2.946527     -0.897209
  H      -3.882985     -0.609639     -1.296286
  H      -2.567502     -0.029516     -0.248389
  H      -4.772584     -0.068235      0.992638
  H      -4.896429     -1.813835      0.672316
  H      -3.988737     -1.353233      2.962317
  H      -2.606552     -0.490952      2.218805
  H     -10.440790     -5.557299      7.311655
  H     -10.621804     -4.864720      5.678079
  H     -11.253544     -6.488588      6.010493
  H      -9.070838     -7.313282      6.196029
  H      -8.051147     -5.225394      7.179802
  H      -7.099359     -6.214574      6.053649
  H      -7.041877     -3.705652      5.757519
  H      -8.732207     -3.754348      5.216499
  H      -8.523082     -6.300965      3.398341
  H      -9.293266     -4.771090      3.097866
  H      -8.973862     -5.710597      0.947679
  H      -7.317165     -6.225288      1.269701
  H      -7.894264     -3.935038     -0.149011
  H      -6.421254     -4.096008      0.829283
  H      -9.029638     -2.918103      1.921379
  H      -7.651632     -1.963034      1.350757
  H      -6.146448     -2.883351      2.944286
  H      -7.558951     -2.336544      3.858266
  H      -4.277676     -1.448253      9.255082
  H      -4.029852      0.001771      8.258545
  H      -2.819085     -0.426478      9.506418
  H      -2.273127     -1.127066      7.126048
  H      -2.708529     -3.263696      9.062973
  H      -1.165752     -2.470553      8.720523
  H      -1.733587     -3.262604      6.201274
  H      -0.880031     -4.316758      7.328581
  H      -1.386807     -6.421031      7.418862
  H      -3.023591     -7.086146      7.289836
  H      -2.245777     -7.046473      9.617302
  H      -1.844765     -5.335422      9.523460
  H      -4.388367     -6.501567     10.315088
  H      -3.989933     -4.785293     10.197580
  H      -5.912489     -5.216531      8.752402
  H      -5.087128     -6.562089      7.957769
  H      -4.364695     -3.583588      7.828400
  H      -5.006301     -4.569853      6.516762
  N      -4.672693     -2.892332      4.798599
  N      -5.069831     -1.850578      5.440058
  H      -5.670073     -1.923977      6.266338
  H      -4.772768     -0.902580      5.184999
111
Coordinates from ORCA-job /scratch/magstr/orcajob__5661762-f1oJ/orca E -5878.626331487299
  N      -3.586911     -3.763986      1.986521
  C      -3.444552     -4.877154      1.041914
  C      -2.826078     -6.096948      1.710906
  N      -3.593559     -6.383129      2.952139
  C      -4.874348     -7.083731      2.668493
  C      -5.890957     -6.660993      3.722140
  N      -5.952508     -5.199220      3.755197
  Mo     -4.129065     -4.355645      3.878379
  N      -3.025105     -5.243992      5.403807
  C      -2.043214     -6.159735      4.823125
  C      -2.775560     -7.147424      3.930361
  H      -1.482213     -6.731522      5.574541
  H      -1.273354     -5.627656      4.221823
  H      -3.456913     -7.740689      4.555136
  H      -2.095924     -7.837023      3.397057
  H      -6.858769     -7.121297      3.479138
  H      -5.585979     -7.075593      4.704895
  H      -5.234114     -6.760085      1.683383
  H      -4.712372     -8.176931      2.639960
  H      -2.850004     -4.624939      0.152720
  H      -4.447426     -5.147334      0.662011
  H      -1.795079     -5.857705      2.012863
  H      -2.799288     -6.986622      1.051281
  C       1.234774     -1.569506      2.789350
  N      -0.049453     -0.908330      2.988617
  C      -0.958382     -1.663528      3.857475
  C      -1.640674     -2.854978      3.181701
  C      -2.592941     -2.642964      1.961378
  C      -1.758678     -2.548166      0.668421
  C      -2.552323     -2.149002     -0.583829
  C      -3.344937     -0.858199     -0.354806
  C      -4.228442     -1.008079      0.885065
  C      -3.374424     -1.315103      2.114375
  C     -10.401096     -5.756284      6.240664
  N      -9.155786     -6.362039      5.785260
  C      -7.969083     -5.558806      6.109674
  C      -7.771976     -4.328057      5.219363
  C      -7.289459     -4.534317      3.752915
  C      -8.352741     -5.314713      2.946778
  C      -8.056905     -5.437827      1.445819
  C      -7.516998     -4.120503      0.849687
  C      -7.901935     -2.951488      1.755707
  C      -7.181351     -3.108447      3.098122
  C      -3.462186     -0.856269      8.783743
  N      -2.867031     -1.676622      7.742819
  C      -2.100305     -2.820861      8.239440
  C      -1.860198     -3.841204      7.119112
  C      -2.936749     -4.967183      6.865097
  C      -2.470737     -6.222610      7.647879
  C      -2.585433     -6.072433      9.171539
  C      -4.015122     -5.693461      9.628707
  C      -4.942260     -5.551144      8.421668
  C      -4.366567     -4.591324      7.377203
  H       1.756327     -1.826067      3.736357
  H       1.894392     -0.926209      2.190651
  H       1.088210     -2.504536      2.228772
  H       0.101876      0.011010      3.405045
  H      -0.427796     -2.059874      4.752250
  H      -1.726268     -0.969224      4.229615
  H      -0.896264     -3.620761      2.909961
  H      -2.291050     -3.286128      3.978530
  H      -1.204887     -3.487224      0.502278
  H      -0.999892     -1.773043      0.866254
  H      -1.858285     -2.034840     -1.432225
  H      -3.264152     -2.943268     -0.859882
  H      -3.952132     -0.620853     -1.242805
  H      -2.643408     -0.018052     -0.205812
  H      -4.831273     -0.101704      1.054730
  H      -4.932087     -1.843418      0.729173
  H      -4.006314     -1.390867      3.011283
  H      -2.655333     -0.493858      2.265433
  H     -10.401971     -5.497252      7.322459
  H     -10.598917     -4.829558      5.682398
  H     -11.238910     -6.440978      6.047513
  H      -9.065310     -7.283071      6.214937
  H      -8.008408     -5.202248      7.164090
  H      -7.083931     -6.206376      6.034951
  H      -7.011602     -3.699856      5.714591
  H      -8.703908     -3.736705      5.199870
  H      -8.554051     -6.294811      3.393639
  H      -9.293982     -4.758160      3.082221
  H      -8.993459     -5.722089      0.939088
  H      -7.347624     -6.258710      1.260516
  H      -7.885441     -3.975844     -0.177365
  H      -6.416404     -4.152536      0.798371
  H      -8.997898     -2.915094      1.879691
  H      -7.605254     -1.991933      1.302992
  H      -6.118004     -2.914869      2.911189
  H      -7.522454     -2.346719      3.814093
  H      -4.235455     -1.456535      9.292915
  H      -3.969240      0.007723      8.328635
  H      -2.756906     -0.474142      9.552991
  H      -2.259797     -1.119666      7.138460
  H      -2.682030     -3.273771      9.056911
  H      -1.133841     -2.509899      8.693116
  H      -1.749897     -3.282555      6.179333
  H      -0.893176     -4.340408      7.297141
  H      -1.417137     -6.440175      7.421518
  H      -3.057471     -7.092225      7.309601
  H      -2.272626     -7.020212      9.635589
  H      -1.859952     -5.317700      9.512572
  H      -4.409776     -6.446440     10.327938
  H      -3.999174     -4.738182     10.179051
  H      -5.930175     -5.183451      8.742359
  H      -5.111495     -6.543080      7.972980
  H      -4.370014     -3.572779      7.789107
  H      -5.024475     -4.569684      6.500492
  N      -4.668363     -2.888019      4.776873
  N      -5.057456     -1.825635      5.401221
  H      -5.649470     -1.881800      6.230298
  H      -4.724456     -0.893249      5.143200
111
Coordinates from ORCA-job /scratch/magstr/orcajob__5661762-f1oJ/orca E -5878.630033876588
  N      -3.560545     -3.775744      2.029305
  C      -3.425345     -4.868355      1.065326
  C      -2.829078     -6.107410      1.715216
  N      -3.604715     -6.408009      2.942295
  C      -4.888577     -7.092235      2.649723
  C      -5.906786     -6.666224      3.701569
  N      -5.961246     -5.208596      3.738333
  Mo     -4.138563     -4.368100      3.897281
  N      -3.035576     -5.286604      5.404377
  C      -2.059631     -6.197479      4.820201
  C      -2.795235     -7.178233      3.919633
  H      -1.500812     -6.771547      5.572468
  H      -1.285825     -5.667247      4.221397
  H      -3.482072     -7.772175      4.537145
  H      -2.117032     -7.867189      3.383910
  H      -6.878757     -7.115372      3.451015
  H      -5.612388     -7.090841      4.683135
  H      -5.239847     -6.761417      1.663871
  H      -4.737174     -8.186848      2.615855
  H      -2.822774     -4.604900      0.185174
  H      -4.428981     -5.118326      0.672219
  H      -1.797821     -5.886477      2.029927
  H      -2.807424     -6.985528      1.040657
  C       1.232168     -1.540808      2.759414
  N      -0.047133     -0.878753      2.982075
  C      -0.938282     -1.631732      3.870487
  C      -1.621496     -2.837423      3.219090
  C      -2.589660     -2.636338      2.009839
  C      -1.773139     -2.526241      0.706152
  C      -2.588998     -2.138375     -0.533785
  C      -3.400507     -0.863725     -0.294854
  C      -4.263920     -1.022499      0.956545
  C      -3.391051     -1.322730      2.171969
  C     -10.397172     -5.724826      6.230460
  N      -9.148905     -6.332538      5.788062
  C      -7.965823     -5.520992      6.097361
  C      -7.773480     -4.303802      5.189839
  C      -7.290731     -4.532760      3.728427
  C      -8.350730     -5.325564      2.932417
  C      -8.041036     -5.476430      1.437277
  C      -7.491726     -4.173045      0.821130
  C      -7.878513     -2.985504      1.699290
  C      -7.173922     -3.121645      3.050858
  C      -3.435362     -0.869674      8.780049
  N      -2.863354     -1.684662      7.722730
  C      -2.090608     -2.830670      8.202319
  C      -1.868262     -3.860150      7.087527
  C      -2.943281     -4.990245      6.853947
  C      -2.481106     -6.239237      7.652855
  C      -2.584283     -6.068296      9.174571
  C      -4.006511     -5.667861      9.635138
  C      -4.941504     -5.534534      8.433866
  C      -4.365129     -4.598773      7.369633
  H       1.769061     -1.801644      3.696166
  H       1.882393     -0.897015      2.151809
  H       1.075191     -2.473279      2.198267
  H       0.115258      0.041407      3.392640
  H      -0.393958     -2.013473      4.763611
  H      -1.705520     -0.939816      4.247007
  H      -0.879853     -3.605588      2.948010
  H      -2.246758     -3.268037      4.037606
  H      -1.206859     -3.455853      0.532755
  H      -1.021409     -1.742651      0.894343
  H      -1.910540     -2.012597     -1.392581
  H      -3.289558     -2.945042     -0.801988
  H      -4.021448     -0.635110     -1.175203
  H      -2.711482     -0.011525     -0.157430
  H      -4.873495     -0.122626      1.133359
  H      -4.965027     -1.862123      0.812054
  H      -4.005075     -1.409385      3.077395
  H      -2.682767     -0.491145      2.317489
  H     -10.398333     -5.440220      7.305377
  H     -10.602341     -4.813232      5.651115
  H     -11.230184     -6.419214      6.054549
  H      -9.054507     -7.244418      6.236032
  H      -8.002090     -5.151359      7.147210
  H      -7.079262     -6.167046      6.031760
  H      -7.014375     -3.665443      5.672040
  H      -8.703514     -3.710504      5.164991
  H      -8.561870     -6.295702      3.396736
  H      -9.291480     -4.764319      3.051078
  H      -8.972203     -5.770343      0.926543
  H      -7.332376     -6.301941      1.272819
  H      -7.848350     -4.048572     -0.212410
  H      -6.390675     -4.210000      0.779304
  H      -8.975325     -2.940702      1.810586
  H      -7.574440     -2.035552      1.232598
  H      -6.108802     -2.925942      2.876925
  H      -7.519825     -2.346146      3.749826
  H      -4.204207     -1.462992      9.302167
  H      -3.941512      0.002918      8.342075
  H      -2.712407     -0.501904      9.539105
  H      -2.277838     -1.122381      7.103087
  H      -2.658925     -3.274209      9.033713
  H      -1.113980     -2.525805      8.637348
  H      -1.771700     -3.309039      6.141470
  H      -0.896933     -4.353466      7.255285
  H      -1.431952     -6.470381      7.420101
  H      -3.076797     -7.108501      7.331027
  H      -2.276673     -7.011061      9.651655
  H      -1.849119     -5.317792      9.501682
  H      -4.403394     -6.404350     10.349936
  H      -3.976496     -4.704879     10.170736
  H      -5.925376     -5.156932      8.753488
  H      -5.122723     -6.531957      8.002159
  H      -4.355353     -3.571689      7.760641
  H      -5.033164     -4.579143      6.500952
  N      -4.661184     -2.873478      4.794589
  N      -5.035632     -1.797308      5.412301
  H      -5.620698     -1.845359      6.245957
  H      -4.663417     -0.879863      5.157299
111
Coordinates from ORCA-job /scratch/magstr/orcajob__5661762-f1oJ/orca E -5878.635546259090
  N      -3.530198     -3.799580      2.051055
  C      -3.389274     -4.880387      1.076639
  C      -2.811385     -6.128739      1.723263
  N      -3.602995     -6.437484      2.934782
  C      -4.886198     -7.113762      2.628327
  C      -5.915816     -6.684635      3.669013
  N      -5.969788     -5.227909      3.706664
  Mo     -4.151550     -4.386136      3.896763
  N      -3.051440     -5.312041      5.402297
  C      -2.074482     -6.222675      4.826995
  C      -2.805091     -7.204242      3.922722
  H      -1.522206     -6.795017      5.586103
  H      -1.293909     -5.697328      4.231540
  H      -3.498791     -7.795690      4.535178
  H      -2.121524     -7.895679      3.396413
  H      -6.886800     -7.131553      3.410316
  H      -5.630976     -7.113051      4.651819
  H      -5.224894     -6.782415      1.637926
  H      -4.741204     -8.209676      2.596407
  H      -2.772423     -4.612687      0.208343
  H      -4.388823     -5.121702      0.665884
  H      -1.782695     -5.916907      2.053105
  H      -2.785764     -6.999564      1.039237
  C       1.224554     -1.498312      2.743703
  N      -0.056380     -0.841268      2.975173
  C      -0.937461     -1.595885      3.870586
  C      -1.613635     -2.817438      3.239463
  C      -2.585251     -2.636189      2.031504
  C      -1.768247     -2.510274      0.727417
  C      -2.587234     -2.135812     -0.514424
  C      -3.421715     -0.876516     -0.278289
  C      -4.283706     -1.046929      0.971800
  C      -3.408932     -1.335844      2.187829
  C     -10.376892     -5.722014      6.241392
  N      -9.134688     -6.335038      5.788705
  C      -7.945175     -5.527864      6.083169
  C      -7.759389     -4.310156      5.175564
  C      -7.295477     -4.541116      3.708538
  C      -8.373113     -5.319315      2.920186
  C      -8.076595     -5.472514      1.422723
  C      -7.512205     -4.176851      0.804777
  C      -7.875975     -2.984081      1.685879
  C      -7.170194     -3.130358      3.035743
  C      -3.379893     -0.881228      8.813468
  N      -2.831713     -1.690556      7.739944
  C      -2.068218     -2.850131      8.196406
  C      -1.871890     -3.872983      7.071498
  C      -2.956250     -4.995751      6.846278
  C      -2.507906     -6.241161      7.660902
  C      -2.606780     -6.053539      9.180613
  C      -4.022259     -5.628222      9.638884
  C      -4.958120     -5.497762      8.438464
  C      -4.373146     -4.583480      7.360724
  H       1.766237     -1.761893      3.677170
  H       1.870042     -0.848812      2.136693
  H       1.069124     -2.428788      2.178343
  H       0.107187      0.079737      3.383979
  H      -0.386930     -1.961559      4.767260
  H      -1.710835     -0.907969      4.242392
  H      -0.867472     -3.584309      2.975019
  H      -2.217501     -3.246323      4.072731
  H      -1.184254     -3.429452      0.555462
  H      -1.029399     -1.714814      0.916454
  H      -1.909452     -1.997201     -1.372125
  H      -3.271998     -2.954851     -0.786941
  H      -4.044017     -0.658244     -1.160715
  H      -2.748305     -0.011378     -0.140725
  H      -4.903290     -0.153380      1.147364
  H      -4.977634     -1.892139      0.827480
  H      -4.020549     -1.431004      3.093488
  H      -2.713457     -0.492904      2.333723
  H     -10.364326     -5.428974      7.314207
  H     -10.588079     -4.814476      5.657206
  H     -11.212700     -6.417087      6.080937
  H      -9.038228     -7.245788      6.239039
  H      -7.964984     -5.161026      7.134927
  H      -7.062007     -6.178128      6.004810
  H      -6.990321     -3.674380      5.648018
  H      -8.685714     -3.710215      5.164430
  H      -8.596483     -6.285978      3.386649
  H      -9.305441     -4.744680      3.045200
  H      -9.014818     -5.753380      0.917026
  H      -7.381026     -6.307956      1.251507
  H      -7.872493     -4.047209     -0.227161
  H      -6.412135     -4.230632      0.755399
  H      -8.972000     -2.923447      1.801293
  H      -7.561415     -2.037463      1.219053
  H      -6.103694     -2.937500      2.866376
  H      -7.510279     -2.353445      3.737017
  H      -4.156520     -1.466118      9.334675
  H      -3.870431      0.009200      8.393465
  H      -2.642125     -0.541481      9.571944
  H      -2.253711     -1.125610      7.115028
  H      -2.630129     -3.292203      9.033330
  H      -1.080499     -2.563401      8.619994
  H      -1.783326     -3.316270      6.127988
  H      -0.900774     -4.373115      7.222469
  H      -1.462434     -6.489388      7.427366
  H      -3.115820     -7.106022      7.349076
  H      -2.311064     -6.994849      9.668589
  H      -1.860535     -5.309948      9.499440
  H      -4.427831     -6.349793     10.364431
  H      -3.977756     -4.659021     10.162879
  H      -5.938264     -5.107032      8.754406
  H      -5.151729     -6.498674      8.018955
  H      -4.349830     -3.550400      7.735691
  H      -5.045835     -4.563845      6.496062
  N      -4.675093     -2.876997      4.782702
  N      -5.049367     -1.793571      5.388522
  H      -5.625014     -1.839972      6.230020
  H      -4.642092     -0.887410      5.144462
111
Coordinates from ORCA-job /scratch/magstr/orcajob__5661762-f1oJ/orca E -5878.636979583673
  N      -3.523891     -3.809834      2.053908
  C      -3.376897     -4.887514      1.078608
  C      -2.803778     -6.136289      1.727711
  N      -3.602401     -6.446921      2.932723
  C      -4.883666     -7.122879      2.621162
  C      -5.918441     -6.692126      3.656101
  N      -5.974538     -5.236411      3.688503
  Mo     -4.159220     -4.394518      3.890902
  N      -3.063353     -5.316518      5.400813
  C      -2.083240     -6.224364      4.830593
  C      -2.809161     -7.209242      3.926707
  H      -1.531912     -6.793741      5.592867
  H      -1.301750     -5.699230      4.235768
  H      -3.504956     -7.799458      4.538117
  H      -2.121729     -7.901574      3.406336
  H      -6.888011     -7.141188      3.395387
  H      -5.636256     -7.117896      4.640885
  H      -5.217730     -6.793750      1.628303
  H      -4.739492     -8.219124      2.592416
  H      -2.753894     -4.618882      0.215154
  H      -4.373661     -5.129162      0.660495
  H      -1.776955     -5.924747      2.063815
  H      -2.773885     -7.005733      1.041964
  C       1.212291     -1.487180      2.741952
  N      -0.068890     -0.831498      2.977757
  C      -0.947767     -1.588384      3.872778
  C      -1.621252     -2.813601      3.245066
  C      -2.592608     -2.636336      2.037410
  C      -1.774538     -2.497498      0.734542
  C      -2.594965     -2.125944     -0.507246
  C      -3.442070     -0.875865     -0.268198
  C      -4.303714     -1.057759      0.980430
  C      -3.428061     -1.343985      2.196299
  C     -10.362712     -5.735353      6.240389
  N      -9.116817     -6.342085      5.788895
  C      -7.932633     -5.523596      6.072600
  C      -7.759055     -4.310141      5.156906
  C      -7.298923     -4.547305      3.689643
  C      -8.380638     -5.323724      2.904495
  C      -8.084862     -5.483528      1.407480
  C      -7.513656     -4.192903      0.785120
  C      -7.871385     -2.994650      1.661492
  C      -7.169293     -3.139149      3.013531
  C      -3.295943     -0.886029      8.873204
  N      -2.787460     -1.692718      7.778368
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  C      -2.966954     -4.989777      6.842087
  C      -2.534943     -6.235854      7.665436
  C      -2.634001     -6.039265      9.183907
  C      -4.044470     -5.593268      9.637762
  C      -4.977295     -5.458015      8.435599
  C      -4.379581     -4.557870      7.352941
  H       1.754730     -1.755106      3.673882
  H       1.857047     -0.834101      2.137764
  H       1.056963     -2.415023      2.171977
  H       0.095625      0.088602      3.388479
  H      -0.396059     -1.950683      4.770349
  H      -1.723526     -0.902434      4.243547
  H      -0.872984     -3.578950      2.981198
  H      -2.218479     -3.244490      4.080789
  H      -1.181488     -3.410565      0.559955
  H      -1.043024     -1.696250      0.927521
  H      -1.917162     -1.977211     -1.363427
  H      -3.271128     -2.950607     -0.784854
  H      -4.065174     -0.660562     -1.151012
  H      -2.777441     -0.004265     -0.127155
  H      -4.929477     -0.168845      1.158453
  H      -4.992470     -1.906742      0.833020
  H      -4.039443     -1.447731      3.101185
  H      -2.740060     -0.495272      2.345889
  H     -10.348174     -5.431039      7.310173
  H     -10.584351     -4.835789      5.647463
  H     -11.192803     -6.439790      6.090648
  H      -9.011002     -7.248088      6.246887
  H      -7.950262     -5.150714      7.122498
  H      -7.044912     -6.168092      5.994275
  H      -6.991535     -3.666729      5.622166
  H      -8.688694     -3.715090      5.146338
  H      -8.608805     -6.287432      3.375097
  H      -9.310449     -4.744140      3.026856
  H      -9.024219     -5.761790      0.902164
  H      -7.393292     -6.323036      1.239151
  H      -7.872948     -4.065543     -0.247615
  H      -6.413765     -4.252540      0.735837
  H      -8.967444     -2.927399      1.774959
  H      -7.551193     -2.051361      1.191536
  H      -6.101662     -2.948356      2.848582
  H      -7.510008     -2.359134      3.711447
  H      -4.071456     -1.461923      9.406404
  H      -3.777823      0.019112      8.474845
  H      -2.533826     -0.570235      9.618139
  H      -2.215974     -1.129262      7.145806
  H      -2.586641     -3.314503      9.046188
  H      -1.034274     -2.602401      8.614570
  H      -1.788688     -3.311932      6.125593
  H      -0.900505     -4.391001      7.192767
  H      -1.492367     -6.498833      7.434302
  H      -3.153549     -7.094660      7.357300
  H      -2.351132     -6.981674      9.677648
  H      -1.878637     -5.303591      9.500243
  H      -4.460360     -6.305149     10.367296
  H      -3.988008     -4.621513     10.156223
  H      -5.953193     -5.053669      8.747947
  H      -5.183314     -6.459008      8.021417
  H      -4.343767     -3.522599      7.721072
  H      -5.051607     -4.534390      6.488066
  N      -4.689397     -2.879987      4.773467
  N      -5.067537     -1.796112      5.374525
  H      -5.618507     -1.849029      6.232938
  H      -4.627688     -0.898903      5.152903
111
Coordinates from ORCA-job /scratch/magstr/orcajob__5661762-f1oJ/orca E -5878.638314446454
  N      -3.523933     -3.808787      2.055457
  C      -3.375028     -4.884516      1.078353
  C      -2.805199     -6.134675      1.727845
  N      -3.607505     -6.446460      2.930090
  C      -4.888038     -7.122046      2.615242
  C      -5.925116     -6.691193      3.647841
  N      -5.981708     -5.235481      3.677963
  Mo     -4.166966     -4.394342      3.888392
  N      -3.074942     -5.316499      5.400814
  C      -2.093108     -6.223576      4.832097
  C      -2.817105     -7.208562      3.926603
  H      -1.542885     -6.792996      5.595209
  H      -1.310669     -5.698174      4.238744
  H      -3.514616     -7.798264      4.536561
  H      -2.128226     -7.901328      3.408678
  H      -6.893981     -7.141101      3.385728
  H      -5.644405     -7.115943      4.633507
  H      -5.219680     -6.792914      1.621539
  H      -4.744460     -8.218402      2.587109
  H      -2.748339     -4.615077      0.217765
  H      -4.370496     -5.124858      0.656206
  H      -1.779126     -5.924374      2.066908
  H      -2.774099     -7.002960      1.040661
  C       1.207710     -1.488685      2.750501
  N      -0.071858     -0.829605      2.985962
  C      -0.953930     -1.585193      3.878732
  C      -1.627599     -2.810225      3.250520
  C      -2.596432     -2.632718      2.041127
  C      -1.775543     -2.491303      0.740229
  C      -2.594037     -2.121750     -0.503351
  C      -3.445271     -0.874117     -0.266301
  C      -4.308752     -1.057797      0.980826
  C      -3.434960     -1.342302      2.198510
  C     -10.348176     -5.765484      6.238409
  N      -9.092661     -6.355939      5.791922
  C      -7.921853     -5.516114      6.067927
  C      -7.767786     -4.307086      5.143078
  C      -7.307308     -4.548546      3.676730
  C      -8.386874     -5.330987      2.894808
  C      -8.088630     -5.497995      1.399040
  C      -7.518592     -4.209494      0.770959
  C      -7.880181     -3.007125      1.640126
  C      -7.181451     -3.142890      2.994808
  C      -3.232768     -0.881400      8.905913
  N      -2.758611     -1.691900      7.798362
  C      -2.011285     -2.878823      8.207013
  C      -1.868521     -3.882362      7.056823
  C      -2.975736     -4.984370      6.840758
  C      -2.554147     -6.232153      7.667452
  C      -2.651703     -6.032917      9.185594
  C      -4.057693     -5.572219      9.638708
  C      -4.989796     -5.430201      8.436681
  C      -4.384067     -4.538417      7.351517
  H       1.747436     -1.761171      3.682695
  H       1.855630     -0.835623      2.149691
  H       1.050604     -2.414250      2.177320
  H       0.095162      0.089335      3.398243
  H      -0.404798     -1.947522      4.777936
  H      -1.729927     -0.898185      4.247124
  H      -0.879074     -3.575763      2.987556
  H      -2.224665     -3.242346      4.085926
  H      -1.179893     -3.402909      0.566621
  H      -1.046418     -1.688434      0.935178
  H      -1.914571     -1.970835     -1.357848
  H      -3.267094     -2.948328     -0.783005
  H      -4.067234     -0.660931     -1.150451
  H      -2.783597     -0.000413     -0.124314
  H      -4.935963     -0.169666      1.157777
  H      -4.996340     -1.907665      0.832241
  H      -4.047985     -1.447545      3.102011
  H      -2.749099     -0.492115      2.349570
  H     -10.337728     -5.449942      7.304988
  H     -10.585283     -4.875948      5.636384
  H     -11.166394     -6.485326      6.096817
  H      -8.971523     -7.255696      6.258356
  H      -7.944226     -5.135746      7.115056
  H      -7.024100     -6.147030      5.993366
  H      -7.007906     -3.650513      5.601779
  H      -8.705170     -3.724350      5.130474
  H      -8.613587     -6.292615      3.370495
  H      -9.317882     -4.752401      3.012689
  H      -9.026594     -5.780548      0.893519
  H      -7.395231     -6.337119      1.236195
  H      -7.876253     -4.088385     -0.263104
  H      -6.418438     -4.267197      0.723873
  H      -8.976634     -2.941016      1.750582
  H      -7.560514     -2.065855      1.165800
  H      -6.114110     -2.948216      2.832840
  H      -7.527747     -2.361196      3.688084
  H      -4.004000     -1.447984      9.454868
  H      -3.710143      0.031588      8.520352
  H      -2.450132     -0.578592      9.634811
  H      -2.192754     -1.133546      7.156292
  H      -2.557691     -3.324380      9.052437
  H      -1.004384     -2.624078      8.605936
  H      -1.795121     -3.309160      6.121911
  H      -0.902104     -4.401655      7.170693
  H      -1.514038     -6.504969      7.436572
  H      -3.180421     -7.085948      7.360778
  H      -2.378455     -6.977589      9.680456
  H      -1.889021     -5.304683      9.501396
  H      -4.480421     -6.278389     10.369885
  H      -3.991426     -4.600002     10.155230
  H      -5.961462     -5.015596      8.748739
  H      -5.206421     -6.429873      8.024496
  H      -4.338023     -3.502468      7.716937
  H      -5.056507     -4.510650      6.487161
  N      -4.700021     -2.880155      4.771596
  N      -5.080359     -1.797009      5.372881
  H      -5.589857     -1.863516      6.255938
  H      -4.592893     -0.915653      5.189363
111
Coordinates from ORCA-job /scratch/magstr/orcajob__5661762-f1oJ/orca E -5878.635827293252
  N      -3.527542     -3.767729      2.072130
  C      -3.401421     -4.844879      1.077524
  C      -2.855558     -6.115630      1.713045
  N      -3.658045     -6.422940      2.927038
  C      -4.950892     -7.086486      2.614399
  C      -5.973827     -6.658811      3.662124
  N      -6.006736     -5.193174      3.716340
  Mo     -4.181208     -4.351993      3.917337
  N      -3.092028     -5.311779      5.420050
  C      -2.121106     -6.245873      4.836260
  C      -2.867419     -7.209980      3.915965
  H      -1.583233     -6.836187      5.591078
  H      -1.329582     -5.727613      4.251816
  H      -3.573668     -7.793276      4.521071
  H      -2.196291     -7.909932      3.387018
  H      -6.949513     -7.090943      3.398960
  H      -5.696167     -7.099380      4.641179
  H      -5.283881     -6.739183      1.627607
  H      -4.817415     -8.182841      2.570171
  H      -2.770194     -4.577375      0.219193
  H      -4.402080     -5.057057      0.655844
  H      -1.825369     -5.927472      2.049480
  H      -2.844137     -6.979809      1.021251
  C       1.261159     -1.512637      2.750639
  N      -0.004762     -0.826813      2.973414
  C      -0.898659     -1.554887      3.878995
  C      -1.588545     -2.774632      3.261305
  C      -2.564055     -2.608449      2.045385
  C      -1.749453     -2.515836      0.741042
  C      -2.565448     -2.157484     -0.506671
  C      -3.389986     -0.886676     -0.291870
  C      -4.251443     -1.027510      0.962904
  C      -3.378086     -1.300945      2.184483
  C     -10.362315     -5.909465      6.190427
  N      -9.072224     -6.434983      5.763135
  C      -7.950319     -5.541746      6.075790
  C      -7.831049     -4.317228      5.171885
  C      -7.339047     -4.527589      3.715780
  C      -8.380925     -5.332332      2.914171
  C      -8.049456     -5.486190      1.424085
  C      -7.493906     -4.183864      0.811565
  C      -7.899336     -2.991817      1.675645
  C      -7.227000     -3.115472      3.045166
  C      -3.299476     -0.818063      8.777333
  N      -2.844186     -1.675016      7.692071
  C      -2.063492     -2.829844      8.151109
  C      -1.896484     -3.876441      7.039939
  C      -2.978075     -4.996051      6.867155
  C      -2.546962     -6.256127      7.670906
  C      -2.612559     -6.093858      9.194881
  C      -4.004876     -5.626551      9.681482
  C      -4.955816     -5.448554      8.498087
  C      -4.367553     -4.545621      7.412623
  H       1.793977     -1.781409      3.687293
  H       1.922624     -0.882565      2.141837
  H       1.087748     -2.443004      2.191896
  H       0.175424      0.094025      3.373992
  H      -0.356318     -1.917020      4.781786
  H      -1.662819     -0.850028      4.238492
  H      -0.848933     -3.550449      3.004671
  H      -2.200968     -3.195775      4.103972
  H      -1.175815     -3.443804      0.585511
  H      -1.004055     -1.724016      0.917127
  H      -1.886095     -2.040395     -1.365496
  H      -3.256270     -2.975259     -0.764567
  H      -4.012523     -0.681627     -1.176087
  H      -2.710274     -0.025089     -0.172009
  H      -4.862581     -0.126676      1.125490
  H      -4.951721     -1.868943      0.831330
  H      -3.993763     -1.372902      3.089468
  H      -2.675484     -0.462998      2.316136
  H     -10.388271     -5.606427      7.259414
  H     -10.629074     -5.025065      5.594929
  H     -11.143962     -6.663026      6.025004
  H      -8.915310     -7.332566      6.222326
  H      -8.011344     -5.176354      7.124870
  H      -7.022206     -6.123414      6.008923
  H      -7.107244     -3.643235      5.649007
  H      -8.787848     -3.769941      5.146780
  H      -8.587667     -6.303134      3.381434
  H      -9.325689     -4.775897      3.020420
  H      -8.970541     -5.786841      0.900122
  H      -7.334002     -6.308362      1.272328
  H      -7.832260     -4.065748     -0.228282
  H      -6.392465     -4.221852      0.787603
  H      -8.997585     -2.949556      1.762994
  H      -7.589228     -2.043722      1.209903
  H      -6.158576     -2.898215      2.903397
  H      -7.602903     -2.348448      3.736424
  H      -4.041584     -1.364728      9.376576
  H      -3.800500      0.068690      8.366275
  H      -2.500831     -0.472170      9.466401
  H      -2.289678     -1.143080      7.018869
  H      -2.599357     -3.247598      9.014575
  H      -1.065665     -2.527755      8.534422
  H      -1.854741     -3.324539      6.089163
  H      -0.918623     -4.371531      7.148142
  H      -1.514577     -6.532087      7.417278
  H      -3.184581     -7.098389      7.358717
  H      -2.341841     -7.053999      9.658924
  H      -1.836068     -5.386194      9.515556
  H      -4.422849     -6.342820     10.403769
  H      -3.918005     -4.666950     10.217369
  H      -5.914570     -5.027304      8.836086
  H      -5.193134     -6.435064      8.069923
  H      -4.299186     -3.512609      7.790341
  H      -5.061003     -4.507022      6.564223
  N      -4.664143     -2.883456      4.790663
  N      -5.029963     -1.773429      5.422135
  H      -5.524323     -1.837736      6.318841
  H      -4.530047     -0.887878      5.257459
111
Coordinates from ORCA-job /scratch/magstr/orcajob__5661762-f1oJ/orca E -5878.637433276444
  N      -3.525768     -3.770362      2.074303
  C      -3.402327     -4.846351      1.078654
  C      -2.858706     -6.118033      1.713456
  N      -3.660958     -6.424446      2.927276
  C      -4.954391     -7.086600      2.615448
  C      -5.977039     -6.656484      3.662344
  N      -6.008551     -5.191028      3.713957
  Mo     -4.182662     -4.352195      3.917550
  N      -3.094121     -5.312475      5.419815
  C      -2.123155     -6.245781      4.836028
  C      -2.870177     -7.210425      3.916710
  H      -1.585297     -6.835976      5.590931
  H      -1.331589     -5.727863      4.251230
  H      -3.576363     -7.793014      4.522633
  H      -2.199243     -7.911077      3.388325
  H      -6.953109     -7.088089      3.399945
  H      -5.699745     -7.096074      4.641955
  H      -5.286803     -6.740088      1.628131
  H      -4.822453     -8.183251      2.572601
  H      -2.770222     -4.579515      0.220847
  H      -4.403355     -5.056517      0.656581
  H      -1.827941     -5.931872      2.049340
  H      -2.849275     -6.981823      1.021102
  C       1.262657     -1.519046      2.741055
  N      -0.001035     -0.829112      2.964421
  C      -0.895833     -1.553027      3.872386
  C      -1.587866     -2.773953      3.259230
  C      -2.565043     -2.609199      2.045071
  C      -1.752210     -2.516552      0.739420
  C      -2.570016     -2.159526     -0.507538
  C      -3.396167     -0.889833     -0.292515
  C      -4.255621     -1.030514      0.963646
  C      -3.380353     -1.302562      2.184116
  C     -10.346890     -5.916359      6.192183
  N      -9.051761     -6.433553      5.769840
  C      -7.937736     -5.529217      6.079226
  C      -7.828877     -4.307714      5.169981
  C      -7.339017     -4.521467      3.713628
  C      -8.384681     -5.322578      2.913073
  C      -8.052407     -5.481567      1.423676
  C      -7.487410     -4.184135      0.809264
  C      -7.887710     -2.987252      1.669174
  C      -7.220928     -3.110824      3.041476
  C      -3.323457     -0.818337      8.783785
  N      -2.868880     -1.673729      7.697043
  C      -2.082165     -2.825189      8.153842
  C      -1.907859     -3.868296      7.040499
  C      -2.981524     -4.995157      6.866645
  C      -2.542621     -6.252777      7.670210
  C      -2.611083     -6.093167      9.194301
  C      -4.006366     -5.633781      9.680030
  C      -4.957581     -5.460434      8.496189
  C      -4.373943     -4.553354      7.411735
  H       1.795161     -1.789228      3.677542
  H       1.925761     -0.891126      2.131718
  H       1.086107     -2.449076      2.182629
  H       0.182698      0.091879      3.363116
  H      -0.353749     -1.912971      4.776298
  H      -1.658981     -0.845907      4.229769
  H      -0.849225     -3.550883      3.002735
  H      -2.197225     -3.193620      4.104372
  H      -1.177802     -3.444088      0.583710
  H      -1.007181     -1.724052      0.914106
  H      -1.891707     -2.041717     -1.367161
  H      -3.259897     -2.978345     -0.764822
  H      -4.020165     -0.686283     -1.176125
  H      -2.717575     -0.027040     -0.174372
  H      -4.866870     -0.129744      1.126552
  H      -4.956042     -1.872109      0.833787
  H      -3.994463     -1.374348      3.090186
  H      -2.678318     -0.463770      2.314074
  H     -10.376673     -5.606435      7.259148
  H     -10.620562     -5.038220      5.590462
  H     -11.121805     -6.677796      6.030896
  H      -8.888086     -7.327166      6.234411
  H      -8.001995     -5.160023      7.126866
  H      -7.004473     -6.103068      6.014982
  H      -7.107909     -3.626971      5.642270
  H      -8.789059     -3.766255      5.145172
  H      -8.597341     -6.291006      3.382661
  H      -9.326497     -4.760564      3.016837
  H      -8.974629     -5.777424      0.898888
  H      -7.342098     -6.308695      1.274505
  H      -7.822596     -4.066717     -0.231746
  H      -6.386151     -4.229052      0.787724
  H      -8.986020     -2.938121      1.752963
  H      -7.570710     -2.042185      1.201831
  H      -6.151290     -2.896243      2.904493
  H      -7.597669     -2.341705      3.730084
  H      -4.062176     -1.367307      9.385263
  H      -3.827987      0.067301      8.374489
  H      -2.523471     -0.470673      9.470529
  H      -2.318510     -1.139377      7.022403
  H      -2.616461     -3.247812      9.015985
  H      -1.086367     -2.518387      8.538934
  H      -1.870610     -3.314298      6.090783
  H      -0.926182     -4.356330      7.147125
  H      -1.508232     -6.521857      7.417140
  H      -3.174375     -7.098897      7.356322
  H      -2.336162     -7.052742      9.657157
  H      -1.838400     -5.382292      9.517346
  H      -4.420893     -6.352656     10.401805
  H      -3.925186     -4.673967     10.216566
  H      -5.919116     -5.045131      8.833832
  H      -5.188990     -6.447955      8.067065
  H      -4.311557     -3.520217      7.790226
  H      -5.067294     -4.517567      6.563013
  N      -4.663388     -2.881593      4.790122
  N      -5.027364     -1.770522      5.420819
  H      -5.455884     -1.857546      6.348991
  H      -4.459665     -0.918960      5.303152
111
Coordinates from ORCA-job /scratch/magstr/orcajob__5661762-f1oJ/orca E -5878.638983024956
  N      -3.523722     -3.773245      2.076409
  C      -3.403210     -4.847928      1.079703
  C      -2.861692     -6.120414      1.713784
  N      -3.663487     -6.425904      2.927467
  C      -4.957472     -7.086742      2.616675
  C      -5.979886     -6.653923      3.662591
  N      -6.010175     -5.188699      3.711171
  Mo     -4.183991     -4.352353      3.917464
  N      -3.096065     -5.312825      5.419281
  C      -2.124719     -6.244886      4.835601
  C      -2.872259     -7.210402      3.917463
  H      -1.586691     -6.834729      5.590634
  H      -1.333239     -5.727148      4.250385
  H      -3.578167     -7.792393      4.524362
  H      -2.201324     -7.911661      3.389732
  H      -6.956264     -7.085222      3.401133
  H      -5.702826     -7.092273      4.642846
  H      -5.289340     -6.741355      1.628718
  H      -4.827088     -8.183714      2.575546
  H      -2.770305     -4.581803      0.222342
  H      -4.404682     -5.056120      0.657358
  H      -1.830298     -5.936174      2.048940
  H      -2.854302     -6.983820      1.020864
  C       1.263945     -1.525836      2.729953
  N       0.002708     -0.831450      2.954187
  C      -0.892955     -1.550920      3.864761
  C      -1.587243     -2.773220      3.256676
  C      -2.566068     -2.610086      2.044368
  C      -1.755033     -2.517590      0.737338
  C      -2.574743     -2.162330     -0.508933
  C      -3.402682     -0.893811     -0.294029
  C      -4.260012     -1.033976      0.963641
  C      -3.382747     -1.304335      2.183007
  C     -10.328430     -5.922093      6.196777
  N      -9.028309     -6.430566      5.779004
  C      -7.922529     -5.514424      6.083770
  C      -7.825365     -4.296615      5.168275
  C      -7.338471     -4.514498      3.711483
  C      -8.389004     -5.310986      2.912364
  C      -8.056232     -5.475966      1.423701
  C      -7.480217     -4.184371      0.807030
  C      -7.873965     -2.981890      1.662328
  C      -7.213088     -3.105633      3.037534
  C      -3.351712     -0.820620      8.793433
  N      -2.897238     -1.673232      7.704586
  C      -2.103352     -2.820816      8.158088
  C      -1.920696     -3.859175      7.041647
  C      -2.985404     -4.993983      6.865863
  C      -2.538189     -6.249105      7.669062
  C      -2.610137     -6.092853      9.193293
  C      -4.008714     -5.642216      9.677837
  C      -4.959911     -5.473679      8.493303
  C      -4.381163     -4.561873      7.410217
  H       1.796205     -1.797669      3.666178
  H       1.928766     -0.900186      2.120027
  H       1.083902     -2.455432      2.171780
  H       0.190365      0.089652      3.350896
  H      -0.351044     -1.908389      4.769864
  H      -1.655089     -0.841458      4.219880
  H      -0.849617     -3.551387      3.000471
  H      -2.193153     -3.191239      4.104551
  H      -1.179731     -3.444672      0.581662
  H      -1.010440     -1.724291      0.910389
  H      -1.897536     -2.043931     -1.369435
  H      -3.263560     -2.982382     -0.765395
  H      -4.028218     -0.692096     -1.177075
  H      -2.725325     -0.029655     -0.177939
  H      -4.871302     -0.133158      1.126653
  H      -4.960689     -1.875686      0.835818
  H      -3.995192     -1.375831      3.090232
  H      -2.681318     -0.464607      2.311041
  H     -10.361624     -5.604428      7.261436
  H     -10.609768     -5.050969      5.588267
  H     -11.096236     -6.691876      6.040793
  H      -8.857220     -7.319692      6.249514
  H      -7.989542     -5.140806      7.129780
  H      -6.983874     -6.079937      6.021922
  H      -7.107184     -3.608528      5.634714
  H      -8.789148     -3.761383      5.144182
  H      -8.608840     -6.276533      3.384610
  H      -9.327159     -4.742235      3.013477
  H      -8.979923     -5.766068      0.898161
  H      -7.352130     -6.308934      1.277346
  H      -7.812032     -4.067652     -0.235210
  H      -6.379236     -4.237547      0.787986
  H      -8.972240     -2.924561      1.742399
  H      -7.548934     -2.040420      1.193121
  H      -6.142008     -2.894708      2.905574
  H      -7.590061     -2.333870      3.723236
  H      -4.086438     -1.373028      9.396874
  H      -3.860589      0.063746      8.386601
  H      -2.550582     -0.470945      9.478012
  H      -2.351895     -1.135417      7.028699
  H      -2.635627     -3.249613      9.018526
  H      -1.109875     -2.508753      8.545300
  H      -1.888415     -3.302290      6.093471
  H      -0.934780     -4.339310      7.146335
  H      -1.501607     -6.510634      7.416803
  H      -3.163445     -7.099316      7.352937
  H      -2.330744     -7.051911      9.654695
  H      -1.841690     -5.378595      9.519289
  H      -4.419655     -6.364085     10.398795
  H      -3.933862     -4.682323     10.215336
  H      -5.924558     -5.065001      8.830404
  H      -5.184721     -6.462194      8.062895
  H      -4.325514     -3.528634      7.789608
  H      -5.074183     -4.529085      6.560968
  N      -4.662779     -2.878911      4.789083
  N      -5.024645     -1.767094      5.418409
  H      -5.388350     -1.882589      6.370621
  H      -4.388678     -0.959983      5.348282
111
Coordinates from ORCA-job /scratch/magstr/orcajob__5661762-f1oJ/orca E -5878.640626507098
  N      -3.517737     -3.779837      2.077902
  C      -3.401743     -4.853819      1.081847
  C      -2.863628     -6.126452      1.716687
  N      -3.664827     -6.428111      2.929878
  C      -4.959393     -7.086320      2.621034
  C      -5.980990     -6.648266      3.664955
  N      -6.008783     -5.183899      3.707067
  Mo     -4.181980     -4.352836      3.916788
  N      -3.095039     -5.311667      5.418529
  C      -2.125189     -6.243222      4.836126
  C      -2.874348     -7.209801      3.921165
  H      -1.587980     -6.832819      5.591859
  H      -1.333221     -5.727350      4.249677
  H      -3.580199     -7.789604      4.530416
  H      -2.203768     -7.913065      3.395316
  H      -6.958148     -7.078952      3.405706
  H      -5.704029     -7.083678      4.646560
  H      -5.290464     -6.743021      1.631979
  H      -4.832000     -8.183881      2.583354
  H      -2.767426     -4.590576      0.224999
  H      -4.403758     -5.059926      0.659322
  H      -1.831010     -5.945260      2.050065
  H      -2.860188     -6.990067      1.023886
  C       1.270445     -1.538976      2.708900
  N       0.011957     -0.838300      2.931075
  C      -0.885979     -1.549161      3.845916
  C      -1.584237     -2.773946      3.247059
  C      -2.566217     -2.613320      2.039132
  C      -1.758233     -2.519278      0.729547
  C      -2.580511     -2.163926     -0.515330
  C      -3.411164     -0.897654     -0.298214
  C      -4.265600     -1.040297      0.961078
  C      -3.385098     -1.309080      2.178355
  C     -10.296643     -5.925588      6.200641
  N      -8.988708     -6.421915      5.792278
  C      -7.895202     -5.489211      6.091866
  C      -7.813673     -4.276806      5.167217
  C      -7.334008     -4.501761      3.708461
  C      -8.394410     -5.292739      2.915633
  C      -8.067721     -5.467193      1.426608
  C      -7.479516     -4.184178      0.803576
  C      -7.861742     -2.973841      1.653092
  C      -7.203630     -3.095472      3.030019
  C      -3.394649     -0.827627      8.822245
  N      -2.936285     -1.672135      7.728988
  C      -2.136697     -2.817717      8.175902
  C      -1.939227     -3.843712      7.050732
  C      -2.989572     -4.991531      6.865361
  C      -2.526159     -6.240443      7.668284
  C      -2.609259     -6.088855      9.192437
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  C      -4.965062     -5.504491      8.482630
  C      -4.394574     -4.581393      7.404846
  H       1.801336     -1.810286      3.646180
  H       1.937988     -0.917555      2.097373
  H       1.086696     -2.469526      2.153264
  H       0.204518      0.084128      3.322567
  H      -0.344994     -1.901665      4.753701
  H      -1.646413     -0.835033      4.195615
  H      -0.848180     -3.553814      2.990675
  H      -2.184069     -3.188312      4.098497
  H      -1.181672     -3.445477      0.572217
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  H      -3.267784     -2.985048     -0.772788
  H      -4.038853     -0.696957     -1.180185
  H      -2.735797     -0.031629     -0.182905
  H      -4.877762     -0.140178      1.125692
  H      -4.965646     -1.882801      0.834905
  H      -3.994948     -1.380650      3.087453
  H      -2.684754     -0.467790      2.303706
  H     -10.337027     -5.596633      7.261743
  H     -10.587110     -5.064870      5.581435
  H     -11.053874     -6.707159      6.050923
  H      -8.808405     -7.304326      6.271908
  H      -7.967953     -5.109253      7.135460
  H      -6.948962     -6.042966      6.034458
  H      -7.098055     -3.578415      5.624664
  H      -8.782216     -3.749841      5.145334
  H      -8.621250     -6.253908      3.393407
  H      -9.327263     -4.714929      3.016221
  H      -8.995817     -5.749498      0.904328
  H      -7.372964     -6.308214      1.281604
  H      -7.811000     -4.069400     -0.239152
  H      -6.379146     -4.247951      0.783884
  H      -8.959727     -2.906266      1.732281
  H      -7.528418     -2.037597      1.179099
  H      -6.132118     -2.887018      2.901507
  H      -7.581192     -2.320199      3.711844
  H      -4.128609     -1.386885      9.421144
  H      -3.905539      0.057963      8.420108
  H      -2.594759     -0.480318      9.509699
  H      -2.392295     -1.127155      7.057646
  H      -2.670516     -3.259448      9.029184
  H      -1.148000     -2.501498      8.572418
  H      -1.910772     -3.279705      6.106897
  H      -0.947319     -4.312020      7.154935
  H      -1.483915     -6.484357      7.420709
  H      -3.135861     -7.099965      7.346624
  H      -2.319019     -7.045326      9.652743
  H      -1.852570     -5.364464      9.525001
  H      -4.420233     -6.388973     10.389429
  H      -3.959066     -4.699791     10.210084
  H      -5.937690     -5.111473      8.816025
  H      -5.172457     -6.495622      8.049178
  H      -4.356302     -3.549155      7.787779
  H      -5.083970     -4.555556      6.552274
  N      -4.659116     -2.874143      4.790838
  N      -5.019213     -1.762342      5.419886
  H      -5.322744     -1.905586      6.390134
  H      -4.335421     -0.992815      5.375089
111
Coordinates from ORCA-job /scratch/magstr/orcajob__5661762-f1oJ/orca E -5878.642338018087
  N      -3.517191     -3.792254      2.088414
  C      -3.407383     -4.864295      1.093371
  C      -2.871776     -6.136602      1.728833
  N      -3.671731     -6.433543      2.940824
  C      -4.966295     -7.087035      2.631903
  C      -5.987951     -6.643502      3.671743
  N      -6.010918     -5.181156      3.708202
  Mo     -4.183837     -4.358198      3.924873
  N      -3.094205     -5.313604      5.423849
  C      -2.131345     -6.247451      4.841823
  C      -2.884908     -7.213405      3.932861
  H      -1.595553     -6.837944      5.597812
  H      -1.338417     -5.736591      4.251874
  H      -3.591385     -7.788836      4.545899
  H      -2.216199     -7.920594      3.409256
  H      -6.966271     -7.071487      3.412387
  H      -5.713808     -7.077574      4.654759
  H      -5.295071     -6.744480      1.641663
  H      -4.843313     -8.185393      2.596915
  H      -2.771721     -4.604192      0.236983
  H      -4.410115     -5.068842      0.671037
  H      -1.837209     -5.959210      2.058864
  H      -2.874093     -7.000110      1.035665
  C       1.271046     -1.551147      2.685098
  N       0.013680     -0.845917      2.902807
  C      -0.886371     -1.546944      3.822714
  C      -1.588314     -2.775988      3.236200
  C      -2.577045     -2.620289      2.037144
  C      -1.775961     -2.522801      0.722337
  C      -2.605109     -2.170427     -0.519317
  C      -3.442570     -0.909435     -0.298226
  C      -4.290108     -1.057522      0.965025
  C      -3.401558     -1.319911      2.177730
  C     -10.290312     -5.937849      6.152834
  N      -8.965837     -6.417837      5.778803
  C      -7.893266     -5.464808      6.089954
  C      -7.815979     -4.256503      5.158276
  C      -7.331034     -4.486588      3.700325
  C      -8.397467     -5.265854      2.901537
  C      -8.063161     -5.449062      1.415038
  C      -7.448823     -4.177116      0.794645
  C      -7.824777     -2.958543      1.635195
  C      -7.187639     -3.081206      3.022216
  C      -3.400582     -0.829817      8.868415
  N      -2.950237     -1.666770      7.766393
  C      -2.150914     -2.816759      8.198783
  C      -1.947817     -3.825957      7.059814
  C      -2.985280     -4.987454      6.869359
  C      -2.494736     -6.223899      7.673427
  C      -2.584368     -6.071120      9.197200
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  C      -4.952501     -5.538791      8.485995
  C      -4.399153     -4.604082      7.409518
  H       1.799965     -1.819341      3.624595
  H       1.940791     -0.933397      2.071818
  H       1.085992     -2.483941      2.133204
  H       0.209687      0.079210      3.286584
  H      -0.346282     -1.891868      4.734213
  H      -1.645691     -0.827726      4.164621
  H      -0.853069     -3.556208      2.977366
  H      -2.178009     -3.185909      4.091352
  H      -1.195481     -3.446304      0.562112
  H      -1.034546     -1.725173      0.890136
  H      -1.932492     -2.043389     -1.382695
  H      -3.288522     -2.995124     -0.776537
  H      -4.075606     -0.712492     -1.177601
  H      -2.772164     -0.038879     -0.185558
  H      -4.906417     -0.160414      1.132353
  H      -4.986295     -1.904066      0.843469
  H      -4.005611     -1.391771      3.091067
  H      -2.704733     -0.474317      2.296243
  H     -10.358367     -5.595196      7.208374
  H     -10.581373     -5.090627      5.515165
  H     -11.030918     -6.734530      5.998192
  H      -8.782146     -7.291705      6.272776
  H      -7.990191     -5.079480      7.130012
  H      -6.937099     -6.003700      6.051487
  H      -7.106536     -3.548753      5.615436
  H      -8.788731     -3.737067      5.130261
  H      -8.639162     -6.222199      3.381456
  H      -9.323355     -4.674946      2.992755
  H      -8.991961     -5.716592      0.885799
  H      -7.381551     -6.301977      1.276850
  H      -7.766866     -4.061431     -0.252455
  H      -6.349305     -4.256481      0.787715
  H      -8.923144     -2.876704      1.699920
  H      -7.473866     -2.028437      1.161505
  H      -6.114783     -2.873380      2.913024
  H      -7.576996     -2.304375      3.696310
  H      -4.135969     -1.392851      9.463680
  H      -3.908473      0.062107      8.475591
  H      -2.595720     -0.493406      9.555807
  H      -2.405110     -1.116631      7.099692
  H      -2.686414     -3.273368      9.043863
  H      -1.164397     -2.503705      8.604057
  H      -1.927033     -3.253596      6.121079
  H      -0.949905     -4.283391      7.158560
  H      -1.446222     -6.443161      7.427084
  H      -3.084027     -7.097829      7.351950
  H      -2.276719     -7.021674      9.658823
  H      -1.842201     -5.331084      9.530717
  H      -4.389286     -6.405704     10.395371
  H      -3.963829     -4.707581     10.210166
  H      -5.933606     -5.166019      8.818827
  H      -5.138395     -6.535191      8.053657
  H      -4.381749     -3.573279      7.795493
  H      -5.087842     -4.589035      6.556245
  N      -4.659965     -2.874669      4.809088
  N      -5.019355     -1.765976      5.441937
  H      -5.253936     -1.924342      6.429815
  H      -4.328012     -1.003889      5.377665
111
Coordinates from ORCA-job /scratch/magstr/orcajob__5661762-f1oJ/orca E -5878.643348767390
  N      -3.506081     -3.804597      2.091486
  C      -3.400822     -4.875795      1.097841
  C      -2.872090     -6.148680      1.736337
  N      -3.675188     -6.438949      2.945793
  C      -4.971118     -7.085370      2.633735
  C      -5.993698     -6.634195      3.668094
  N      -6.009749     -5.173429      3.699504
  Mo     -4.180334     -4.361686      3.924981
  N      -3.093759     -5.315465      5.424376
  C      -2.137170     -6.254383      4.846072
  C      -2.895334     -7.218664      3.941136
  H      -1.606081     -6.846460      5.604152
  H      -1.340512     -5.750511      4.254707
  H      -3.605339     -7.787864      4.556214
  H      -2.229112     -7.931571      3.421645
  H      -6.973782     -7.058047      3.408260
  H      -5.723875     -7.066996      4.652951
  H      -5.295016     -6.742959      1.641728
  H      -4.854363     -8.184672      2.601531
  H      -2.760952     -4.620117      0.243483
  H      -4.403175     -5.077242      0.672697
  H      -1.836452     -5.976531      2.066291
  H      -2.879154     -7.012726      1.043649
  C       1.284268     -1.569725      2.664695
  N       0.029108     -0.858959      2.879742
  C      -0.873958     -1.551781      3.802474
  C      -1.580603     -2.782391      3.224313
  C      -2.573556     -2.629148      2.031497
  C      -1.776939     -2.528710      0.713285
  C      -2.610246     -2.177661     -0.526315
  C      -3.452643     -0.920549     -0.301844
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  C      -3.401706     -1.331376      2.173391
  C     -10.249370     -5.958221      6.142722
  N      -8.913923     -6.419386      5.783577
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  C      -7.799257     -4.239520      5.160923
  C      -7.325343     -4.468561      3.697991
  C      -8.404552     -5.236749      2.903804
  C      -8.081986     -5.420779      1.414678
  C      -7.455606     -4.155095      0.793894
  C      -7.817134     -2.933622      1.636565
  C      -7.180080     -3.061544      3.023613
  C      -3.455785     -0.841755      8.901805
  N      -3.005678     -1.669311      7.792753
  C      -2.188481     -2.810560      8.212890
  C      -1.970660     -3.804001      7.063217
  C      -2.988195     -4.983673      6.868877
  C      -2.472829     -6.206841      7.676912
  C      -2.573639     -6.053025      9.199988
  C      -4.000606     -5.682104      9.670714
  C      -4.950456     -5.573785      8.478859
  C      -4.411720     -4.627665      7.405045
  H       1.810929     -1.838011      3.605608
  H       1.957054     -0.955159      2.051214
  H       1.096566     -2.503026      2.114174
  H       0.229251      0.067331      3.258840
  H      -0.335483     -1.892521      4.716699
  H      -1.631342     -0.827722      4.138635
  H      -0.847354     -3.564277      2.963947
  H      -2.164711     -3.187738      4.081268
  H      -1.193747     -3.450280      0.550844
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  H      -1.939524     -2.045869     -1.390691
  H      -3.290751     -3.004724     -0.784473
  H      -4.089182     -0.725757     -1.179442
  H      -2.785822     -0.046858     -0.190208
  H      -4.915315     -0.178619      1.133337
  H      -4.988587     -1.922812      0.845026
  H      -4.001738     -1.403767      3.089744
  H      -2.707416     -0.482758      2.287384
  H     -10.331652     -5.606989      7.194583
  H     -10.549191     -5.122026      5.494348
  H     -10.974988     -6.769104      5.989721
  H      -8.720405     -7.286464      6.285734
  H      -7.966431     -5.060554      7.134772
  H      -6.893466     -5.969986      6.061671
  H      -7.091735     -3.523919      5.611809
  H      -8.776960     -3.728535      5.140331
  H      -8.650861     -6.191464      3.384590
  H      -9.324359     -4.636951      3.000976
  H      -9.017407     -5.675140      0.890261
  H      -7.412080     -6.281960      1.270182
  H      -7.775598     -4.034935     -0.252337
  H      -6.357149     -4.246146      0.783585
  H      -8.914879     -2.841565      1.703231
  H      -7.458679     -2.006459      1.162513
  H      -6.107712     -2.852618      2.918315
  H      -7.572074     -2.286458      3.698736
  H      -4.180750     -1.416679      9.499623
  H      -3.976350      0.046501      8.516664
  H      -2.648259     -0.500233      9.583800
  H      -2.470810     -1.109469      7.125280
  H      -2.716590     -3.285552      9.052926
  H      -1.207123     -2.486197      8.622513
  H      -1.961936     -3.224577      6.128736
  H      -0.964152     -4.243847      7.156970
  H      -1.417999     -6.401231      7.435226
  H      -3.040103     -7.095215      7.354810
  H      -2.249298     -6.996891      9.664202
  H      -1.848139     -5.297239      9.536426
  H      -4.375635     -6.423170     10.392804
  H      -3.986409     -4.716619     10.203622
  H      -5.940819     -5.221798      8.807719
  H      -5.112796     -6.574902      8.047134
  H      -4.416120     -3.598121      7.793921
  H      -5.096965     -4.623932      6.549015
  N      -4.652561     -2.874050      4.814459
  N      -5.009401     -1.766150      5.448682
  H      -5.196290     -1.920633      6.447626
  H      -4.332893     -0.994039      5.351337
111
Coordinates from ORCA-job /scratch/magstr/orcajob__5661762-f1oJ/orca E -5878.644106864521
  N      -3.503680     -3.813937      2.097114
  C      -3.404905     -4.885193      1.105023
  C      -2.878126     -6.157515      1.745542
  N      -3.679560     -6.442047      2.956011
  C      -4.976737     -7.084351      2.644910
  C      -5.998811     -6.626805      3.675829
  N      -6.009536     -5.167261      3.702741
  Mo     -4.178179     -4.362830      3.930969
  N      -3.088656     -5.312943      5.428264
  C      -2.138185     -6.256468      4.851235
  C      -2.901987     -7.220549      3.952337
  H      -1.608602     -6.848901      5.610054
  H      -1.340252     -5.758532      4.256268
  H      -3.612840     -7.784583      4.571384
  H      -2.238964     -7.938120      3.434836
  H      -6.980356     -7.047564      3.416327
  H      -5.731890     -7.058289      4.662158
  H      -5.298767     -6.743430      1.651722
  H      -4.864115     -8.184272      2.615728
  H      -2.764712     -4.633253      0.249897
  H      -4.408290     -5.085107      0.681149
  H      -1.840805     -5.988133      2.071897
  H      -2.890298     -7.022740      1.054249
  C       1.289489     -1.582731      2.633800
  N       0.036721     -0.867581      2.849786
  C      -0.865469     -1.552870      3.778720
  C      -1.576937     -2.785646      3.210823
  C      -2.576782     -2.636520      2.025576
  C      -1.787890     -2.536990      0.702076
  C      -2.628544     -2.190474     -0.534012
  C      -3.474100     -0.935866     -0.307423
  C      -4.309344     -1.088851      0.963363
  C      -3.407083     -1.340355      2.168118
  C     -10.249057     -5.966868      6.099475
  N      -8.903283     -6.418663      5.767643
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  C      -7.799611     -4.227917      5.161523
  C      -7.321273     -4.454783      3.698689
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  C      -8.073996     -5.399001      1.410455
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  C      -7.789563     -2.914764      1.635307
  C      -7.167662     -3.046556      3.029109
  C      -3.487838     -0.859911      8.957876
  N      -3.046706     -1.673825      7.835271
  C      -2.207421     -2.806688      8.232391
  C      -1.983752     -3.781264      7.067750
  C      -2.983280     -4.976721      6.871723
  C      -2.444615     -6.189180      7.680288
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  C      -4.936289     -5.602035      8.479735
  C      -4.412862     -4.644538      7.408574
  H       1.817511     -1.849579      3.574457
  H       1.962504     -0.971539      2.017032
  H       1.098024     -2.517242      2.086425
  H       0.241088      0.060171      3.223139
  H      -0.325229     -1.888959      4.693724
  H      -1.620512     -0.824907      4.111826
  H      -0.845711     -3.568848      2.948214
  H      -2.154889     -3.186596      4.071208
  H      -1.203056     -3.457366      0.538379
  H      -1.049292     -1.734877      0.861986
  H      -1.962223     -2.057260     -1.401696
  H      -3.307507     -3.020170     -0.788308
  H      -4.116298     -0.745163     -1.181941
  H      -2.809786     -0.059467     -0.201153
  H      -4.931221     -0.195877      1.134241
  H      -4.999833     -1.941289      0.851244
  H      -4.000891     -1.410993      3.088888
  H      -2.714463     -0.489159      2.274231
  H     -10.353806     -5.610376      7.147646
  H     -10.543622     -5.137075      5.440409
  H     -10.964619     -6.785090      5.937834
  H      -8.712250     -7.282095      6.277082
  H      -7.987655     -5.051711      7.132539
  H      -6.891335     -5.951570      6.073902
  H      -7.094762     -3.511323      5.616740
  H      -8.778374     -3.718657      5.138207
  H      -8.658430     -6.166523      3.377296
  H      -9.318645     -4.605977      2.990279
  H      -9.008919     -5.642492      0.879813
  H      -7.412368     -6.267106      1.268827
  H      -7.739936     -4.015825     -0.253386
  H      -6.332769     -4.239925      0.795396
  H      -8.887327     -2.814320      1.691541
  H      -7.419727     -1.990376      1.164465
  H      -6.094460     -2.836934      2.938097
  H      -7.568821     -2.273006      3.700935
  H      -4.195811     -1.449119      9.562725
  H      -4.025682      0.024711      8.588040
  H      -2.672589     -0.513849      9.628424
  H      -2.528991     -1.101861      7.164308
  H      -2.720385     -3.302193      9.070198
  H      -1.228180     -2.471735      8.638992
  H      -1.992719     -3.192244      6.139349
  H      -0.969056     -4.204849      7.148704
  H      -1.385616     -6.361940      7.439428
  H      -2.993588     -7.089123      7.358278
  H      -2.211608     -6.975928      9.667228
  H      -1.839252     -5.269088      9.541625
  H      -4.347275     -6.439573     10.394813
  H      -3.989590     -4.726184     10.204188
  H      -5.933291     -5.268458      8.808183
  H      -5.079552     -6.605950      8.047118
  H      -4.434150     -3.617033      7.801757
  H      -5.097101     -4.648376      6.551878
  N      -4.645693     -2.871968      4.824591
  N      -4.998923     -1.764755      5.459434
  H      -5.129379     -1.909666      6.468492
  H      -4.345600     -0.979405      5.320213
111
Coordinates from ORCA-job /scratch/magstr/orcajob__5661762-f1oJ/orca E -5878.644778924016
  N      -3.498100     -3.822024      2.099824
  C      -3.405762     -4.893625      1.109258
  C      -2.881643     -6.165618      1.751913
  N      -3.681673     -6.444299      2.963515
  C      -4.980344     -7.082750      2.653977
  C      -6.001553     -6.618405      3.681817
  N      -6.007391     -5.159860      3.703469
  Mo     -4.173755     -4.362667      3.933918
  N      -3.082607     -5.309563      5.429709
  C      -2.136865     -6.256987      4.854394
  C      -2.905764     -7.221304      3.961032
  H      -1.608615     -6.849428      5.614085
  H      -1.337849     -5.764297      4.256291
  H      -3.617333     -7.780470      4.583831
  H      -2.245664     -7.943232      3.445573
  H      -6.984535     -7.036581      3.423539
  H      -5.736749     -7.047840      4.669713
  H      -5.300796     -6.743868      1.659536
  H      -4.871763     -8.183249      2.628313
  H      -2.765070     -4.645658      0.253435
  H      -4.410142     -5.091571      0.686493
  H      -1.842782     -5.999139      2.075070
  H      -2.898721     -7.032099      1.062176
  C       1.298948     -1.598458      2.603356
  N       0.049245     -0.878005      2.820695
  C      -0.852498     -1.555697      3.755387
  C      -1.569468     -2.789698      3.196903
  C      -2.575210     -2.643533      2.018199
  C      -1.792943     -2.545376      0.690173
  C      -2.639549     -2.202049     -0.542876
  C      -3.486770     -0.948909     -0.314408
  C      -4.315436     -1.101454      0.960705
  C      -3.406355     -1.348103      2.161320
  C     -10.237362     -5.969639      6.075952
  N      -8.884419     -6.413970      5.763436
  C      -7.853405     -5.423855      6.098537
  C      -7.792781     -4.214616      5.165041
  C      -7.315766     -4.440796      3.700884
  C      -8.403012     -5.191662      2.899136
  C      -8.074287     -5.378989      1.411636
  C      -7.419073     -4.124175      0.799042
  C      -7.772478     -2.897337      1.637278
  C      -7.157387     -3.031998      3.034070
  C      -3.539764     -0.882578      9.011155
  N      -3.103797     -1.681476      7.875855
  C      -2.237972     -2.801499      8.250801
  C      -2.004308     -3.756390      7.071803
  C      -2.981381     -4.970048      6.872560
  C      -2.419247     -6.171372      7.681626
  C      -2.534308     -6.023859      9.204365
  C      -3.976697     -5.708106      9.669310
  C      -4.926158     -5.635618      8.474333
  C      -4.418056     -4.664916      7.407780
  H       1.828185     -1.864821      3.543551
  H       1.972668     -0.990980      1.983556
  H       1.102873     -2.533706      2.058705
  H       0.258517      0.050699      3.189022
  H      -0.310718     -1.888142      4.670890
  H      -1.604696     -0.823606      4.085989
  H      -0.840852     -3.574888      2.932533
  H      -2.142401     -3.186202      4.060437
  H      -1.207399     -3.465163      0.525384
  H      -1.054619     -1.741942      0.845061
  H      -1.976899     -2.068131     -1.413364
  H      -3.317825     -3.033427     -0.793936
  H      -4.133623     -0.761139     -1.186245
  H      -2.823917     -0.070757     -0.212688
  H      -4.938471     -0.209402      1.132807
  H      -5.004516     -1.955731      0.854266
  H      -3.994895     -1.416921      3.085786
  H      -2.714567     -0.495274      2.260847
  H     -10.357558     -5.607271      7.120515
  H     -10.529413     -5.146247      5.407676
  H     -10.944922     -6.794189      5.910810
  H      -8.694012     -7.273615      6.279514
  H      -7.990962     -5.038939      7.134948
  H      -6.878889     -5.931486      6.085599
  H      -7.088677     -3.496703      5.620741
  H      -8.772576     -3.706944      5.142501
  H      -8.663870     -6.143229      3.378400
  H      -9.314390     -4.577826      2.990781
  H      -9.010841     -5.613608      0.879699
  H      -7.420178     -6.252807      1.269902
  H      -7.724272     -3.998626     -0.251199
  H      -6.322248     -4.233244      0.802307
  H      -8.869901     -2.789776      1.689452
  H      -7.395129     -1.975478      1.167369
  H      -6.083882     -2.822142      2.950547
  H      -7.563253     -2.259342      3.704385
  H      -4.227821     -1.488517      9.622835
  H      -4.098405     -0.004659      8.656204
  H      -2.718980     -0.527637      9.670298
  H      -2.606126     -1.095697      7.201445
  H      -2.733408     -3.318804      9.086139
  H      -1.262641     -2.451544      8.654474
  H      -2.032599     -3.157926      6.149845
  H      -0.980498     -4.160039      7.140451
  H      -1.355961     -6.320855      7.443290
  H      -2.947889     -7.082818      7.357727
  H      -2.178935     -6.957140      9.667580
  H      -1.838249     -5.243012      9.547154
  H      -4.325676     -6.462954     10.390514
  H      -4.002051     -4.742514     10.201754
  H      -5.930601     -5.322679      8.800799
  H      -5.047797     -6.641544      8.039284
  H      -4.458570     -3.640063      7.805962
  H      -5.099799     -4.676699      6.549260
  N      -4.636044     -2.868430      4.830118
  N      -4.985149     -1.761160      5.464590
  H      -5.059448     -1.893230      6.480932
  H      -4.358989     -0.962769      5.281742
111
Coordinates from ORCA-job /scratch/magstr/orcajob__5661762-f1oJ/orca E -5878.645416210016
  N      -3.492503     -3.829665      2.102652
  C      -3.406848     -4.901477      1.113430
  C      -2.885277     -6.173235      1.757962
  N      -3.683596     -6.446284      2.970855
  C      -4.983730     -7.081048      2.663172
  C      -6.003865     -6.609994      3.688073
  N      -6.004950     -5.152456      3.704407
  Mo     -4.169118     -4.362238      3.937025
  N      -3.076329     -5.306070      5.431073
  C      -2.135037     -6.257080      4.857311
  C      -2.908946     -7.221703      3.969427
  H      -1.607854     -6.849447      5.617746
  H      -1.335186     -5.769343      4.256062
  H      -3.621017     -7.776174      4.596000
  H      -2.251712     -7.947796      3.455877
  H      -6.988251     -7.025719      3.431182
  H      -5.740960     -7.037281      4.677512
  H      -5.302816     -6.744308      1.667521
  H      -4.879100     -8.182086      2.641056
  H      -2.765866     -4.657394      0.256793
  H      -4.412332     -5.097330      0.691987
  H      -1.844847     -6.009670      2.077750
  H      -2.907339     -7.040873      1.069703
  C       1.308726     -1.615104      2.572427
  N       0.062398     -0.888998      2.791488
  C      -0.838846     -1.558965      3.731969
  C      -1.561675     -2.793898      3.182954
  C      -2.573445     -2.650326      2.010984
  C      -1.798016     -2.553574      0.678373
  C      -2.650700     -2.213185     -0.551426
  C      -3.499255     -0.961350     -0.320853
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  C     -10.225747     -5.970875      6.054576
  N      -8.866430     -6.408417      5.760344
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  C      -7.785774     -4.201288      5.168547
  C      -7.309997     -4.427058      3.703170
  C      -8.402338     -5.170386      2.900414
  C      -8.073922     -5.359630      1.413034
  C      -7.407392     -4.109955      0.802368
  C      -7.755186     -2.880568      1.639159
  C      -7.146806     -3.017855      3.038858
  C      -3.592957     -0.905986      9.063359
  N      -3.162216     -1.690125      7.915871
  C      -2.269965     -2.796201      8.268774
  C      -2.026585     -3.731131      7.075710
  C      -2.979912     -4.963231      6.873278
  C      -2.394115     -6.152717      7.682931
  C      -2.517946     -6.010174      9.205458
  C      -3.968200     -5.724649      9.665984
  C      -4.915559     -5.670195      8.468291
  C      -4.423415     -4.686120      7.406622
  H       1.839282     -1.881345      3.511994
  H       1.983203     -1.011463      1.949580
  H       1.107625     -2.550894      2.030380
  H       0.276915      0.040470      3.154921
  H      -0.295437     -1.887980      4.647825
  H      -1.587970     -0.822644      4.060250
  H      -0.835932     -3.581246      2.916660
  H      -2.129450     -3.186002      4.049706
  H      -1.211981     -3.472871      0.512298
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  H      -1.991874     -2.078686     -1.424823
  H      -3.328498     -3.046080     -0.799159
  H      -4.150836     -0.776308     -1.189862
  H      -2.837682     -0.081610     -0.223741
  H      -4.945033     -0.222008      1.132190
  H      -5.009093     -1.969182      0.857924
  H      -3.988352     -1.422540      3.083114
  H      -2.714100     -0.501215      2.247983
  H     -10.360305     -5.602614      7.095388
  H     -10.515182     -5.153785      5.377366
  H     -10.925865     -6.801289      5.886703
  H      -8.676797     -7.264313      6.282959
  H      -7.993533     -5.025826      7.137433
  H      -6.867089     -5.911835      6.096952
  H      -7.082216     -3.482286      5.624677
  H      -8.766409     -3.694859      5.146657
  H      -8.668792     -6.120330      3.379769
  H      -9.309689     -4.550300      2.991266
  H      -9.011910     -5.585720      0.879768
  H      -7.427134     -6.238945      1.271402
  H      -7.708331     -3.982350     -0.248953
  H      -6.311439     -4.227021      0.809206
  H      -8.852209     -2.766014      1.687333
  H      -7.370490     -1.961294      1.170076
  H      -6.072997     -2.807939      2.962625
  H      -7.557141     -2.245901      3.707542
  H      -4.260418     -1.528359      9.681683
  H      -4.172365     -0.035585      8.723240
  H      -2.767145     -0.541406      9.710928
  H      -2.685142     -1.090881      7.238205
  H      -2.747118     -3.334858      9.101397
  H      -1.298950     -2.430874      8.669509
  H      -2.075125     -3.123823      6.160395
  H      -0.993866     -4.113782      7.131829
  H      -1.326980     -6.278388      7.447276
  H      -2.901732     -7.075394      7.357006
  H      -2.146324     -6.937607      9.667817
  H      -1.838472     -5.216627      9.552842
  H      -4.303808     -6.487184     10.385585
  H      -4.015286     -4.760182     10.199072
  H      -5.927268     -5.378707      8.792529
  H      -5.014864     -6.677638      8.030583
  H      -4.483712     -3.664359      7.809852
  H      -5.102453     -4.706024      6.546197
  N      -4.625941     -2.864710      4.835777
  N      -4.970736     -1.757369      5.469891
  H      -4.989026     -1.875599      6.490365
  H      -4.373413     -0.947717      5.245125
111
Coordinates from ORCA-job /scratch/magstr/orcajob__5661762-f1oJ/orca E -5878.646044010044
  N      -3.484949     -3.837795      2.106744
  C      -3.406478     -4.909406      1.118719
  C      -2.888025     -6.181066      1.765328
  N      -3.685034     -6.448093      2.979152
  C      -4.986431     -7.078926      2.672684
  C      -6.005878     -6.600613      3.693767
  N      -6.002330     -5.144320      3.703850
  Mo     -4.164043     -4.361699      3.940667
  N      -3.069725     -5.301853      5.432865
  C      -2.133382     -6.257098      4.861371
  C      -2.912490     -7.221845      3.979201
  H      -1.607857     -6.849489      5.622902
  H      -1.332242     -5.775016      4.257092
  H      -3.625530     -7.770937      4.609579
  H      -2.258301     -7.952673      3.468176
  H      -6.991557     -7.014063      3.438271
  H      -5.745227     -7.025201      4.685125
  H      -5.303522     -6.744703      1.675512
  H      -4.885935     -8.180504      2.654599
  H      -2.764658     -4.669495      0.261634
  H      -4.412934     -5.102752      0.698101
  H      -1.846030     -6.020803      2.081874
  H      -2.915270     -7.049824      1.078540
  C       1.320237     -1.634592      2.539439
  N       0.078163     -0.901459      2.760343
  C      -0.822842     -1.562263      3.707328
  C      -1.552217     -2.798098      3.168844
  C      -2.570618     -2.657290      2.004350
  C      -1.802590     -2.561258      0.666853
  C      -2.661710     -2.223771     -0.559372
  C      -3.512100     -0.973734     -0.326038
  C      -4.326724     -1.125915      0.958064
  C      -3.403433     -1.363447      2.149652
  C     -10.213445     -5.973462      6.031288
  N      -8.847857     -6.404381      5.756610
  C      -7.836583     -5.399179      6.105847
  C      -7.778121     -4.189020      5.172637
  C      -7.304329     -4.413291      3.705602
  C      -8.402322     -5.148841      2.902323
  C      -8.075443     -5.339225      1.414712
  C      -7.398327     -4.094365      0.806187
  C      -7.740238     -2.863013      1.642402
  C      -7.137723     -3.003273      3.044618
  C      -3.642789     -0.920919      9.112082
  N      -3.218690     -1.692512      7.953508
  C      -2.306183     -2.788022      8.286505
  C      -2.052563     -3.703578      7.080264
  C      -2.979360     -4.955530      6.874433
  C      -2.367721     -6.131899      7.684018
  C      -2.502174     -5.997602      9.206366
  C      -3.960907     -5.747054      9.661072
  C      -4.904504     -5.710866      8.459556
  C      -4.429947     -4.710039      7.405686
  H       1.851993     -1.901121      3.478325
  H       1.995957     -1.035600      1.913338
  H       1.112998     -2.570767      2.000216
  H       0.299070      0.028724      3.118154
  H      -0.277947     -1.887319      4.623807
  H      -1.568438     -0.821019      4.032563
  H      -0.829722     -3.587842      2.900382
  H      -2.114588     -3.185639      4.038899
  H      -1.215697     -3.479731      0.499054
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  H      -2.006915     -2.087996     -1.435696
  H      -3.338658     -3.058381     -0.804066
  H      -4.168748     -0.791477     -1.191924
  H      -2.852255     -0.092119     -0.233430
  H      -4.951853     -0.235727      1.133414
  H      -5.013022     -1.983708      0.863010
  H      -3.980920     -1.429254      3.081617
  H      -2.713537     -0.507373      2.236204
  H     -10.363044     -5.598688      7.067774
  H     -10.499512     -5.163191      5.344419
  H     -10.905980     -6.809786      5.860934
  H      -8.659580     -7.256268      6.286293
  H      -7.996113     -5.014943      7.139754
  H      -6.855146     -5.893875      6.108094
  H      -7.074675     -3.469763      5.629535
  H      -8.759384     -3.683363      5.152226
  H      -8.673594     -6.097425      3.381576
  H      -9.305647     -4.522750      2.993379
  H      -9.015213     -5.556503      0.880761
  H      -7.436072     -6.223840      1.272171
  H      -7.695715     -3.964252     -0.245935
  H      -6.303309     -4.219152      0.815824
  H      -8.836805     -2.741877      1.687421
  H      -7.348934     -1.946043      1.174276
  H      -6.063872     -2.792165      2.975687
  H      -7.553354     -2.232930      3.712202
  H      -4.293387     -1.556193      9.735440
  H      -4.237816     -0.055750      8.785661
  H      -2.811752     -0.550470      9.749493
  H      -2.757666     -1.082187      7.274409
  H      -2.769197     -3.346015      9.114423
  H      -1.339807     -2.410741      8.687505
  H      -2.121918     -3.088984      6.171182
  H      -1.011059     -4.063605      7.124813
  H      -1.296847     -6.230735      7.451541
  H      -2.851437     -7.066190      7.354765
  H      -2.112844     -6.918941      9.666487
  H      -1.841840     -5.190965      9.560792
  H      -4.281794     -6.519103     10.377364
  H      -4.032949     -4.785275     10.196338
  H      -5.924173     -5.444536      8.780829
  H      -4.977944     -6.718613      8.016903
  H      -4.512209     -3.693120      7.816681
  H      -5.105460     -4.736840      6.542860
  N      -4.615486     -2.861160      4.842996
  N      -4.956115     -1.754295      5.477132
  H      -4.925078     -1.858539      6.499190
  H      -4.390233     -0.933612      5.214230
111
Coordinates from ORCA-job /scratch/magstr/orcajob__5661762-f1oJ/orca E -5878.646664558897
  N      -3.475683     -3.848157      2.115108
  C      -3.404800     -4.918055      1.127134
  C      -2.890311     -6.190362      1.775439
  N      -3.687263     -6.451723      2.989095
  C      -4.989424     -7.078153      2.681092
  C      -6.010018     -6.592364      3.696128
  N      -6.002130     -5.137664      3.699562
  Mo     -4.160898     -4.364111      3.946236
  N      -3.063594     -5.299001      5.435468
  C      -2.134163     -6.260548      4.867120
  C      -2.919191     -7.224596      3.991164
  H      -1.611096     -6.853242      5.630115
  H      -1.330957     -5.785842      4.259590
  H      -3.634381     -7.766955      4.625179
  H      -2.268693     -7.961364      3.483560
  H      -6.996594     -7.003602      3.440624
  H      -5.753377     -7.014299      4.689957
  H      -5.302533     -6.746498      1.681780
  H      -4.893177     -8.180265      2.667160
  H      -2.760774     -4.682011      0.270734
  H      -4.411733     -5.108050      0.705764
  H      -1.846876     -6.034091      2.089435
  H      -2.922654     -7.059729      1.089462
  C       1.332006     -1.657368      2.507702
  N       0.095343     -0.916003      2.732569
  C      -0.805278     -1.567775      3.686056
  C      -1.541809     -2.803841      3.157595
  C      -2.567990     -2.665464      2.001888
  C      -1.808492     -2.567545      0.658960
  C      -2.674926     -2.232220     -0.562794
  C      -3.528589     -0.985438     -0.324346
  C      -4.334871     -1.140811      0.964580
  C      -3.403206     -1.373730      2.150625
  C     -10.209432     -5.979042      5.994175
  N      -8.837574     -6.405956      5.745182
  C      -7.836059     -5.395082      6.105180
  C      -7.774209     -4.182266      5.175022
  C      -7.301332     -4.401859      3.706044
  C      -8.404631     -5.127316      2.899371
  C      -8.077802     -5.315467      1.411402
  C      -7.388601     -4.074481      0.808927
  C      -7.725612     -2.843070      1.646798
  C      -7.131465     -2.989335      3.052331
  C      -3.679365     -0.921726      9.151084
  N      -3.265248     -1.683868      7.982262
  C      -2.340796     -2.774525      8.297707
  C      -2.078751     -3.672930      7.079875
  C      -2.976783     -4.946266      6.875704
  C      -2.335574     -6.106245      7.685839
  C      -2.478681     -5.980404      9.208098
  C      -3.945103     -5.767953      9.658315
  C      -4.885976     -5.752282      8.453936
  C      -4.432649     -4.733125      7.408516
  H       1.865012     -1.926868      3.445128
  H       2.009453     -1.062593      1.879319
  H       1.117151     -2.592510      1.969481
  H       0.324182      0.014133      3.085593
  H      -0.258587     -1.889654      4.602675
  H      -1.546909     -0.821565      4.009008
  H      -0.822874     -3.595784      2.885652
  H      -2.098848     -3.187565      4.030174
  H      -1.219697     -3.484219      0.487851
  H      -1.071970     -1.759602      0.799461
  H      -2.024608     -2.092842     -1.441993
  H      -3.350044     -3.068990     -0.805674
  H      -4.191087     -0.805591     -1.186386
  H      -2.871617     -0.101213     -0.235304
  H      -4.962640     -0.253015      1.143287
  H      -5.018031     -2.001672      0.874630
  H      -3.974290     -1.440313      3.086720
  H      -2.715750     -0.514967      2.231340
  H     -10.377557     -5.595982      7.024843
  H     -10.487691     -5.176290      5.295273
  H     -10.895048     -6.820375      5.820091
  H      -8.654553     -7.253646      6.283521
  H      -8.009106     -5.012762      7.137876
  H      -6.852167     -5.884814      6.116907
  H      -7.069768     -3.465608      5.635436
  H      -8.754950     -3.675058      5.156356
  H      -8.681052     -6.075576      3.376112
  H      -9.303783     -4.495171      2.991092
  H      -9.018887     -5.521644      0.875175
  H      -7.446520     -6.205522      1.266463
  H      -7.680607     -3.939335     -0.244184
  H      -6.294647     -4.207320      0.822916
  H      -8.821726     -2.715333      1.687353
  H      -7.327073     -1.927500      1.182116
  H      -6.057796     -2.775265      2.994092
  H      -7.555646     -2.223178      3.719756
  H      -4.318357     -1.565168      9.778136
  H      -4.283112     -0.057878      8.837301
  H      -2.841501     -0.551360      9.779314
  H      -2.813494     -1.065618      7.303718
  H      -2.795272     -3.348679      9.119297
  H      -1.378372     -2.390592      8.701853
  H      -2.172085     -3.054704      6.175414
  H      -1.028586     -4.008643      7.112027
  H      -1.261981     -6.176298      7.454036
  H      -2.793816     -7.053035      7.355950
  H      -2.069961     -6.894880      9.665289
  H      -1.838655     -5.160383      9.569241
  H      -4.248466     -6.549528     10.372045
  H      -4.043728     -4.809391     10.195271
  H      -5.913288     -5.514122      8.773327
  H      -4.931028     -6.759544      8.005769
  H      -4.536171     -3.722464      7.829589
  H      -5.106222     -4.765012      6.544790
  N      -4.607988     -2.862382      4.855285
  N      -4.945315     -1.757842      5.490829
  H      -4.874614     -1.849107      6.513108
  H      -4.415417     -0.924495      5.194625
111
Coordinates from ORCA-job /scratch/magstr/orcajob__5661762-f1oJ/orca E -5878.647249050946
  N      -3.465021     -3.858612      2.126849
  C      -3.402312     -4.925287      1.137598
  C      -2.891942     -6.198910      1.787212
  N      -3.690251     -6.455094      2.999737
  C      -4.992466     -7.077585      2.686234
  C      -6.017343     -6.584802      3.692284
  N      -6.006344     -5.131792      3.688986
  Mo     -4.161581     -4.368375      3.952178
  N      -3.057455     -5.294573      5.436881
  C      -2.137555     -6.265894      4.873356
  C      -2.929400     -7.228224      4.004251
  H      -1.618346     -6.859189      5.638542
  H      -1.330927     -5.801011      4.262657
  H      -3.648168     -7.762307      4.641562
  H      -2.283535     -7.972399      3.501084
  H      -7.004060     -6.994425      3.434445
  H      -5.767092     -7.004411      4.689167
  H      -5.299046     -6.748698      1.683982
  H      -4.899653     -8.180106      2.676464
  H      -2.754672     -4.692655      0.282999
  H      -4.409154     -5.111132      0.713843
  H      -1.847294     -6.046807      2.099322
  H      -2.928907     -7.068540      1.101605
  C       1.344793     -1.680081      2.483331
  N       0.113802     -0.930266      2.712090
  C      -0.787259     -1.573921      3.670726
  C      -1.530029     -2.809621      3.150060
  C      -2.563845     -2.673850      2.003003
  C      -1.812566     -2.573841      0.654857
  C      -2.685435     -2.240222     -0.562749
  C      -3.542064     -0.996541     -0.318842
  C      -4.340469     -1.155874      0.974441
  C      -3.401005     -1.384027      2.155421
  C     -10.208504     -5.986821      5.950067
  N      -8.830838     -6.412145      5.731548
  C      -7.838938     -5.396081      6.103003
  C      -7.772974     -4.180106      5.176601
  C      -7.303324     -4.393368      3.704614
  C      -8.412076     -5.109093      2.895042
  C      -8.085938     -5.293506      1.406359
  C      -7.385655     -4.055611      0.810784
  C      -7.719052     -2.825124      1.651063
  C      -7.132936     -2.977374      3.059800
  C      -3.701722     -0.911802      9.180042
  N      -3.297100     -1.665735      8.001974
  C      -2.370294     -2.758453      8.303435
  C      -2.101444     -3.640884      7.074925
  C      -2.971807     -4.934525      6.875889
  C      -2.300949     -6.076951      7.686353
  C      -2.451560     -5.960955      9.208698
  C      -3.924621     -5.787212      9.654684
  C      -4.862498     -5.790847      8.447487
  C      -4.430960     -4.751258      7.413182
  H       1.877677     -1.954733      3.419443
  H       2.025092     -1.088672      1.854747
  H       1.122511     -2.612973      1.944044
  H       0.350713     -0.000767      3.061564
  H      -0.239506     -1.893607      4.587529
  H      -1.525287     -0.823227      3.991578
  H      -0.814280     -3.603196      2.874277
  H      -2.084346     -3.190380      4.022919
  H      -1.221759     -3.488610      0.480496
  H      -1.077362     -1.763997      0.791748
  H      -2.038925     -2.096826     -1.444207
  H      -3.358730     -3.078907     -0.804668
  H      -4.210107     -0.818550     -1.177073
  H      -2.887798     -0.109962     -0.232530
  H      -4.971830     -0.271189      1.156472
  H      -5.019305     -2.020612      0.888923
  H      -3.966099     -1.451788      3.095405
  H      -2.716159     -0.522561      2.230972
  H     -10.397162     -5.592218      6.972847
  H     -10.475724     -5.193569      5.236145
  H     -10.887830     -6.832779      5.773377
  H      -8.656307     -7.254553      6.280976
  H      -8.026455     -5.015582      7.134140
  H      -6.852884     -5.881162      6.124857
  H      -7.065786     -3.467731      5.640565
  H      -8.752611     -3.670131      5.161923
  H      -8.691335     -6.057993      3.368632
  H      -9.307633     -4.472087      2.988712
  H      -9.028520     -5.488031      0.868225
  H      -7.462614     -6.188630      1.257867
  H      -7.672152     -3.914941     -0.243227
  H      -6.292720     -4.195426      0.829309
  H      -8.814799     -2.692293      1.687816
  H      -7.314906     -1.910292      1.189986
  H      -6.060046     -2.757690      3.013304
  H      -7.568818     -2.217681      3.727492
  H      -4.336316     -1.560223      9.806387
  H      -4.306982     -0.045151      8.877105
  H      -2.857447     -0.548036      9.803111
  H      -2.844958     -1.042042      7.328135
  H      -2.824804     -3.346157      9.115256
  H      -1.411434     -2.374988      8.716169
  H      -2.219903     -3.022035      6.173969
  H      -1.043667     -3.952979      7.094487
  H      -1.225907     -6.118702      7.453037
  H      -2.734219     -7.035762      7.357762
  H      -2.024282     -6.869294      9.661327
  H      -1.831546     -5.129179      9.577923
  H      -4.209817     -6.578401     10.365412
  H      -4.049986     -4.832944     10.193851
  H      -5.896687     -5.582097      8.765548
  H      -4.878169     -6.795934      7.992071
  H      -4.552491     -3.748941      7.848852
  H      -5.103745     -4.782831      6.549388
  N      -4.606479     -2.868508      4.871362
  N      -4.941984     -1.768101      5.509392
  H      -4.845911     -1.847165      6.531777
  H      -4.450605     -0.920672      5.187847
111
Coordinates from ORCA-job /scratch/magstr/orcajob__5661762-f1oJ/orca E -5878.647764567947
  N      -3.453807     -3.870542      2.142966
  C      -3.400420     -4.932529      1.150286
  C      -2.895387     -6.209018      1.799785
  N      -3.696385     -6.460668      3.010813
  C      -4.998895     -7.079356      2.688671
  C      -6.031010     -6.579433      3.682987
  N      -6.016698     -5.127623      3.673215
  Mo     -4.167414     -4.376569      3.958803
  N      -3.050631     -5.290466      5.436210
  C      -2.143049     -6.275513      4.878527
  C      -2.944065     -7.235375      4.017690
  H      -1.628330     -6.869449      5.646134
  H      -1.332320     -5.822894      4.264017
  H      -3.667172     -7.759552      4.658671
  H      -2.304635     -7.988633      3.519308
  H      -7.017238     -6.987211      3.419712
  H      -5.790507     -6.997750      4.683332
  H      -5.296414     -6.753420      1.682722
  H      -4.909301     -8.182178      2.683184
  H      -2.748237     -4.702759      0.298306
  H      -4.406922     -5.112592      0.723034
  H      -1.849606     -6.062032      2.110444
  H      -2.937238     -7.078331      1.113887
  C       1.356926     -1.700809      2.463204
  N       0.131716     -0.943562      2.698876
  C      -0.768331     -1.581880      3.662193
  C      -1.516678     -2.816403      3.147168
  C      -2.559826     -2.682570      2.009748
  C      -1.818961     -2.577210      0.655617
  C      -2.700377     -2.243996     -0.555852
  C      -3.561094     -1.004896     -0.302534
  C      -4.349379     -1.171900      0.996006
  C      -3.399886     -1.395817      2.170018
  C     -10.211116     -5.993226      5.906039
  N      -8.828664     -6.418232      5.717847
  C      -7.845836     -5.396558      6.098405
  C      -7.776709     -4.178604      5.174342
  C      -7.310310     -4.386192      3.699646
  C      -8.423069     -5.090974      2.884673
  C      -8.091682     -5.272900      1.396559
  C      -7.373988     -4.040585      0.810284
  C      -7.705621     -2.809091      1.649378
  C      -7.135795     -2.966701      3.064666
  C      -3.721670     -0.901563      9.195035
  N      -3.322855     -1.647576      8.009266
  C      -2.393165     -2.741133      8.300011
  C      -2.119221     -3.609273      7.062286
  C      -2.963154     -4.922158      6.874319
  C      -2.263451     -6.045339      7.686593
  C      -2.418152     -5.936290      9.209171
  C      -3.895962     -5.798919      9.652847
  C      -4.832326     -5.822290      8.444197
  C      -4.423129     -4.764158      7.419711
  H       1.890200     -1.983524      3.396823
  H       2.039705     -1.110723      1.835981
  H       1.127222     -2.629750      1.920045
  H       0.376635     -0.015575      3.046940
  H      -0.218320     -1.901162      4.577812
  H      -1.502845     -0.827907      3.983489
  H      -0.804016     -3.610726      2.865534
  H      -2.069892     -3.196342      4.018798
  H      -1.225096     -3.488876      0.475466
  H      -1.085929     -1.764792      0.789677
  H      -2.059079     -2.093988     -1.440103
  H      -3.371165     -3.084917     -0.797519
  H      -4.236281     -0.827818     -1.155417
  H      -2.910449     -0.115414     -0.218139
  H      -4.986066     -0.292212      1.183995
  H      -5.021958     -2.042069      0.914168
  H      -3.957141     -1.467206      3.114863
  H      -2.718632     -0.531023      2.241020
  H     -10.418809     -5.584121      6.919426
  H     -10.467371     -5.211709      5.175430
  H     -10.884885     -6.843886      5.730322
  H      -8.663737     -7.254126      6.280130
  H      -8.047007     -5.016275      7.127306
  H      -6.857574     -5.876770      6.130200
  H      -7.066218     -3.470549      5.640880
  H      -8.755117     -3.665711      5.164201
  H      -8.707120     -6.040318      3.354471
  H      -9.314487     -4.448059      2.976941
  H      -9.033870     -5.452833      0.852520
  H      -7.478442     -6.174968      1.247492
  H      -7.648521     -3.895096     -0.246348
  H      -6.282521     -4.189931      0.839749
  H      -8.800806     -2.668887      1.676564
  H      -7.291792     -1.896466      1.192674
  H      -6.063516     -2.741295      3.036633
  H      -7.588027     -2.213924      3.729686
  H      -4.351310     -1.556292      9.819769
  H      -4.330383     -0.034277      8.901066
  H      -2.872990     -0.541486      9.813847
  H      -2.869064     -1.018966      7.340510
  H      -2.849334     -3.340941      9.101746
  H      -1.438317     -2.358309      8.722271
  H      -2.266512     -2.993281      6.163875
  H      -1.054551     -3.897288      7.066670
  H      -1.188567     -6.061280      7.448657
  H      -2.673813     -7.015989      7.363781
  H      -1.973203     -6.838334      9.657515
  H      -1.816612     -5.093823      9.584729
  H      -4.162422     -6.597584     10.362559
  H      -4.045957     -4.848495     10.192638
  H      -5.871746     -5.641354      8.762409
  H      -4.820556     -6.824866      7.983063
  H      -4.557951     -3.770602      7.871598
  H      -5.097760     -4.791903      6.557701
  N      -4.609636     -2.881326      4.888607
  N      -4.942812     -1.784266      5.528525
  H      -4.835784     -1.856399      6.551105
  H      -4.471280     -0.929706      5.197111
111
Coordinates from ORCA-job /scratch/magstr/orcajob__5661762-f1oJ/orca E -5878.648200165911
  N      -3.440402     -3.876104      2.152850
  C      -3.395350     -4.936049      1.159118
  C      -2.894067     -6.213260      1.811452
  N      -3.698630     -6.458006      3.021392
  C      -5.000230     -7.077201      2.689761
  C      -6.042591     -6.571488      3.670750
  N      -6.029727     -5.120027      3.652469
  Mo     -4.175640     -4.378249      3.958366
  N      -3.038728     -5.269629      5.429500
  C      -2.143952     -6.271738      4.881885
  C      -2.953925     -7.231652      4.031597
  H      -1.634899     -6.864239      5.654064
  H      -1.328381     -5.832991      4.263997
  H      -3.680732     -7.745136      4.677244
  H      -2.321012     -7.994762      3.539533
  H      -7.026642     -6.981031      3.401185
  H      -5.811943     -6.986718      4.675100
  H      -5.288370     -6.756558      1.679424
  H      -4.910220     -8.179823      2.690570
  H      -2.738885     -4.710325      0.309083
  H      -4.401208     -5.112036      0.728987
  H      -1.847799     -6.068843      2.121049
  H      -2.939093     -7.084342      1.128090
  C       1.371462     -1.709500      2.451243
  N       0.148359     -0.947579      2.682284
  C      -0.752904     -1.577331      3.650700
  C      -1.500748     -2.814552      3.143151
  C      -2.547340     -2.688536      2.008544
  C      -1.810027     -2.591384      0.651571
  C      -2.691992     -2.263172     -0.560554
  C      -3.550328     -1.021465     -0.310748
  C      -4.336251     -1.183233      0.989782
  C      -3.384573     -1.399511      2.163692
  C     -10.209627     -5.998892      5.885892
  N      -8.827172     -6.428975      5.707459
  C      -7.844374     -5.410084      6.097018
  C      -7.776046     -4.185348      5.182111
  C      -7.322603     -4.381807      3.701605
  C      -8.441321     -5.082370      2.890517
  C      -8.115669     -5.259060      1.400238
  C      -7.391370     -4.029010      0.818544
  C      -7.721836     -2.798206      1.658808
  C      -7.156553     -2.957422      3.076333
  C      -3.735529     -0.898836      9.227532
  N      -3.330937     -1.626121      8.031467
  C      -2.410150     -2.730410      8.311581
  C      -2.129681     -3.579197      7.061343
  C      -2.955830     -4.903733      6.870841
  C      -2.238710     -6.017092      7.680262
  C      -2.404155     -5.924858      9.203031
  C      -3.887414     -5.819586      9.637406
  C      -4.815550     -5.848299      8.422066
  C      -4.418001     -4.766788      7.417416
  H       1.901970     -1.990856      3.386885
  H       2.057321     -1.123364      1.823769
  H       1.140142     -2.639533      1.910675
  H       0.396187     -0.017791      3.023354
  H      -0.203414     -1.890537      4.568659
  H      -1.486738     -0.820130      3.965850
  H      -0.787846     -3.608981      2.862960
  H      -2.059992     -3.191815      4.010852
  H      -1.216571     -3.504030      0.475453
  H      -1.076143     -1.778840      0.780606
  H      -2.050787     -2.116972     -1.445477
  H      -3.363901     -3.104312     -0.798429
  H      -4.227212     -0.846968     -1.162756
  H      -2.898170     -0.132775     -0.230748
  H      -4.975986     -0.305089      1.174215
  H      -5.004734     -2.056523      0.913088
  H      -3.939627     -1.464942      3.110442
  H      -2.702702     -0.534750      2.228046
  H     -10.422151     -5.585573      6.896492
  H     -10.459145     -5.219819      5.150636
  H     -10.884477     -6.848554      5.709789
  H      -8.671125     -7.264922      6.272039
  H      -8.048421     -5.036019      7.127709
  H      -6.855695     -5.889691      6.126492
  H      -7.058163     -3.485458      5.649902
  H      -8.752629     -3.668837      5.185586
  H      -8.718890     -6.035073      3.357659
  H      -9.332179     -4.439987      2.989642
  H      -9.060840     -5.428103      0.857923
  H      -7.509411     -6.164797      1.244894
  H      -7.661954     -3.880173     -0.238637
  H      -6.300883     -4.182688      0.851704
  H      -8.816943     -2.657413      1.685160
  H      -7.307557     -1.885547      1.203045
  H      -6.086523     -2.720716      3.059419
  H      -7.625093     -2.214921      3.741733
  H      -4.370802     -1.563988      9.835011
  H      -4.340983     -0.025920      8.944056
  H      -2.889330     -0.552058      9.856725
  H      -2.862556     -0.989185      7.380840
  H      -2.881166     -3.342930      9.094393
  H      -1.459763     -2.360760      8.754582
  H      -2.295658     -2.961120      6.168093
  H      -1.061060     -3.851034      7.055983
  H      -1.163659     -6.011924      7.442830
  H      -2.629900     -6.994597      7.355026
  H      -1.948593     -6.825936      9.642509
  H      -1.819161     -5.078052      9.594370
  H      -4.142699     -6.629226     10.338639
  H      -4.059625     -4.876921     10.184031
  H      -5.860013     -5.691367      8.736319
  H      -4.779662     -6.844448      7.949009
  H      -4.562464     -3.785747      7.893359
  H      -5.090418     -4.779276      6.553425
  N      -4.619111     -2.887123      4.895773
  N      -4.951921     -1.790990      5.533322
  H      -4.840661     -1.849560      6.556372
  H      -4.502153     -0.929182      5.191989
111
Coordinates from ORCA-job /scratch/magstr/orcajob__5661762-f1oJ/orca E -5878.648595331505
  N      -3.426276     -3.885631      2.174345
  C      -3.392304     -4.938465      1.172445
  C      -2.899940     -6.222261      1.819294
  N      -3.707975     -6.464471      3.028412
  C      -5.010955     -7.080558      2.687339
  C      -6.062427     -6.568878      3.655408
  N      -6.045615     -5.116903      3.631361
  Mo     -4.185663     -4.391358      3.964668
  N      -3.024070     -5.265253      5.421126
  C      -2.144253     -6.284489      4.878153
  C      -2.968191     -7.241552      4.038327
  H      -1.637788     -6.877419      5.651114
  H      -1.326598     -5.858113      4.254840
  H      -3.697370     -7.744895      4.689511
  H      -2.344945     -8.014401      3.548530
  H      -7.044453     -6.976910      3.375580
  H      -5.845426     -6.984813      4.662762
  H      -5.288514     -6.762086      1.673332
  H      -4.923907     -8.183214      2.691972
  H      -2.732166     -4.713665      0.325023
  H      -4.398580     -5.104838      0.739573
  H      -1.852452     -6.085792      2.127669
  H      -2.951756     -7.091229      1.133843
  C       1.381035     -1.713412      2.431122
  N       0.161790     -0.949945      2.677106
  C      -0.731406     -1.581945      3.651839
  C      -1.482355     -2.817926      3.147938
  C      -2.541246     -2.692533      2.023976
  C      -1.819034     -2.585715      0.659533
  C      -2.714733     -2.256776     -0.542349
  C      -3.578790     -1.021941     -0.277074
  C      -4.350002     -1.196068      1.030915
  C      -3.383625     -1.408888      2.193704
  C     -10.210243     -5.970724      5.891094
  N      -8.827136     -6.404127      5.722013
  C      -7.845812     -5.378021      6.097674
  C      -7.781008     -4.163804      5.168374
  C      -7.332873     -4.372725      3.687692
  C      -8.454631     -5.068600      2.876457
  C      -8.115402     -5.262705      1.390555
  C      -7.360611     -4.051425      0.807956
  C      -7.690159     -2.805439      1.625703
  C      -7.156203     -2.952197      3.057041
  C      -3.781050     -0.911953      9.224875
  N      -3.361133     -1.624452      8.024742
  C      -2.429734     -2.721450      8.301961
  C      -2.141514     -3.558331      7.045777
  C      -2.943163     -4.899221      6.865222
  C      -2.203813     -5.995128      7.677758
  C      -2.372441     -5.906688      9.200723
  C      -3.858694     -5.832876      9.631984
  C      -4.784466     -5.879355      8.414806
  C      -4.405733     -4.784371      7.417338
  H       1.917182     -2.004131      3.360793
  H       2.064402     -1.123782      1.804134
  H       1.143811     -2.638402      1.884357
  H       0.415066     -0.022141      3.019628
  H      -0.173843     -1.897043      4.564280
  H      -1.462256     -0.825095      3.974782
  H      -0.771458     -3.610766      2.858312
  H      -2.040680     -3.199665      4.013247
  H      -1.221039     -3.493472      0.473448
  H      -1.088758     -1.769334      0.785790
  H      -2.082538     -2.101055     -1.432183
  H      -3.383398     -3.100862     -0.778974
  H      -4.265904     -0.847399     -1.120876
  H      -2.931527     -0.129486     -0.199069
  H      -4.996892     -0.325447      1.225679
  H      -5.010285     -2.076563      0.957468
  H      -3.926845     -1.480764      3.147188
  H      -2.706528     -0.540135      2.253090
  H     -10.422859     -5.535688      6.892524
  H     -10.460871     -5.208510      5.138888
  H     -10.884229     -6.824901      5.734346
  H      -8.674150     -7.229350      6.303125
  H      -8.051111     -4.990804      7.123274
  H      -6.855585     -5.854256      6.132867
  H      -7.059722     -3.460801      5.626771
  H      -8.756925     -3.646054      5.172455
  H      -8.741817     -6.015386      3.349882
  H      -9.339858     -4.416723      2.961913
  H      -9.057291     -5.416488      0.837979
  H      -7.525125     -6.181333      1.249315
  H      -7.607863     -3.911954     -0.256267
  H      -6.273274     -4.220911      0.865209
  H      -8.783863     -2.651529      1.630305
  H      -7.257508     -1.903755      1.165078
  H      -6.086971     -2.711027      3.067248
  H      -7.646557     -2.208680      3.705523
  H      -4.407924     -1.593270      9.823325
  H      -4.400147     -0.047286      8.945561
  H      -2.942282     -0.556763      9.859208
  H      -2.893685     -0.977521      7.382999
  H      -2.901550     -3.344579      9.075535
  H      -1.485924     -2.347947      8.755519
  H      -2.335611     -2.945500      6.154876
  H      -1.067510     -3.806359      7.025673
  H      -1.130073     -5.969728      7.436075
  H      -2.575961     -6.982395      7.360221
  H      -1.901493     -6.801218      9.637458
  H      -1.804569     -5.050788      9.597384
  H      -4.097688     -6.647322     10.333415
  H      -4.051734     -4.893791     10.177911
  H      -5.832216     -5.744910      8.728508
  H      -4.726444     -6.873292      7.939560
  H      -4.560282     -3.811668      7.907981
  H      -5.080856     -4.791215      6.555407
  N      -4.622590     -2.907540      4.911592
  N      -4.949949     -1.809712      5.548678
  H      -4.839902     -1.866376      6.571831
  H      -4.489667     -0.951596      5.212553
111
Coordinates from ORCA-job /scratch/magstr/orcajob__5661762-f1oJ/orca E -5878.649065940893
  N      -3.411444     -3.894303      2.185808
  C      -3.380495     -4.947693      1.182470
  C      -2.898407     -6.233726      1.831227
  N      -3.714229     -6.468189      3.038412
  C      -5.017792     -7.083948      2.689898
  C      -6.078689     -6.567173      3.646224
  N      -6.061909     -5.113686      3.615243
  Mo     -4.195601     -4.398856      3.964038
  N      -3.007580     -5.246723      5.411700
  C      -2.141325     -6.284596      4.877691
  C      -2.978150     -7.243910      4.051822
  H      -1.635919     -6.872882      5.654355
  H      -1.323432     -5.870641      4.247416
  H      -3.709092     -7.735203      4.710171
  H      -2.364165     -8.027314      3.566899
  H      -7.057328     -6.977163      3.356541
  H      -5.873465     -6.980958      4.656863
  H      -5.285666     -6.769093      1.672112
  H      -4.931648     -8.186323      2.700683
  H      -2.716726     -4.726313      0.337027
  H      -4.386199     -5.108963      0.746973
  H      -1.851543     -6.102405      2.142835
  H      -2.953257     -7.104255      1.148537
  C       1.382213     -1.693571      2.419374
  N       0.159573     -0.936806      2.668499
  C      -0.724056     -1.570564      3.651480
  C      -1.467977     -2.812636      3.155300
  C      -2.529543     -2.696900      2.030816
  C      -1.811827     -2.593673      0.664112
  C      -2.711137     -2.270914     -0.536766
  C      -3.577118     -1.036884     -0.272658
  C      -4.344922     -1.209638      1.037573
  C      -3.374946     -1.415178      2.198518
  C     -10.233901     -5.965909      5.889462
  N      -8.857407     -6.411425      5.696082
  C      -7.861535     -5.403087      6.082828
  C      -7.791326     -4.176491      5.170973
  C      -7.347628     -4.370437      3.688528
  C      -8.470668     -5.060064      2.874428
  C      -8.127447     -5.248095      1.387978
  C      -7.351797     -4.044900      0.817778
  C      -7.681925     -2.795738      1.630631
  C      -7.170832     -2.944888      3.070367
  C      -3.790443     -0.918902      9.230299
  N      -3.351506     -1.612716      8.025620
  C      -2.423070     -2.713472      8.301163
  C      -2.134228     -3.547441      7.042582
  C      -2.931630     -4.890685      6.861443
  C      -2.189364     -5.986273      7.671312
  C      -2.357131     -5.902097      9.194853
  C      -3.843809     -5.835624      9.625771
  C      -4.769503     -5.881349      8.408248
  C      -4.393430     -4.781264      7.415320
  H       1.924594     -1.977741      3.347404
  H       2.059052     -1.102084      1.787185
  H       1.148302     -2.621920      1.877017
  H       0.408848     -0.005886      3.005335
  H      -0.158812     -1.878576      4.561583
  H      -1.457195     -0.816761      3.976225
  H      -0.753201     -3.602578      2.867638
  H      -2.029313     -3.196391      4.018669
  H      -1.211051     -3.499965      0.480130
  H      -1.083842     -1.774646      0.786175
  H      -2.081512     -2.116596     -1.428581
  H      -3.378425     -3.117151     -0.768857
  H      -4.266652     -0.865606     -1.115044
  H      -2.931081     -0.143341     -0.198471
  H      -4.996452     -0.342365      1.230957
  H      -5.000152     -2.093711      0.967618
  H      -3.914804     -1.484210      3.153868
  H      -2.699379     -0.545134      2.252438
  H     -10.429704     -5.547922      6.901460
  H     -10.485690     -5.187043      5.155043
  H     -10.918837     -6.809817      5.725196
  H      -8.709682     -7.249367      6.260180
  H      -8.055945     -5.029858      7.115484
  H      -6.875985     -5.889638      6.103691
  H      -7.064783     -3.484817      5.636326
  H      -8.764037     -3.653519      5.184254
  H      -8.758115     -6.009708      3.342381
  H      -9.355171     -4.407671      2.961921
  H      -9.068542     -5.383467      0.829379
  H      -7.549838     -6.174040      1.242790
  H      -7.581355     -3.902675     -0.250012
  H      -6.267892     -4.226901      0.892561
  H      -8.774566     -2.635071      1.620914
  H      -7.237916     -1.897099      1.175085
  H      -6.103626     -2.695835      3.104708
  H      -7.680220     -2.210023      3.713855
  H      -4.418748     -1.613245      9.811815
  H      -4.413969     -0.056119      8.955288
  H      -2.962568     -0.565127      9.879436
  H      -2.877755     -0.956147      7.398982
  H      -2.902818     -3.337414      9.068880
  H      -1.480447     -2.347340      8.762586
  H      -2.336917     -2.935546      6.153145
  H      -1.059526     -3.790789      7.016156
  H      -1.116505     -5.959208      7.426942
  H      -2.559868     -6.974563      7.355725
  H      -1.883192     -6.796934      9.627548
  H      -1.792921     -5.046161      9.595975
  H      -4.079443     -6.652611     10.325214
  H      -4.039937     -4.898674     10.174180
  H      -5.817343     -5.750517      8.722702
  H      -4.708807     -6.874004      7.931190
  H      -4.547439     -3.812671      7.915155
  H      -5.070626     -4.778604      6.555008
  N      -4.630439     -2.912860      4.905078
  N      -4.953447     -1.804963      5.529565
  H      -4.841925     -1.849943      6.552688
  H      -4.480940     -0.955904      5.187265
111
Coordinates from ORCA-job /scratch/magstr/orcajob__5661762-f1oJ/orca E -5878.649508163025
  N      -3.396485     -3.891396      2.192932
  C      -3.371193     -4.942893      1.185194
  C      -2.900450     -6.233877      1.830655
  N      -3.721050     -6.463482      3.037476
  C      -5.025755     -7.077587      2.684442
  C      -6.091679     -6.558918      3.634425
  N      -6.073829     -5.103690      3.600217
  Mo     -4.201123     -4.399975      3.961458
  N      -2.988656     -5.229420      5.396186
  C      -2.135142     -6.282665      4.866091
  C      -2.985358     -7.241266      4.050745
  H      -1.629063     -6.868679      5.643370
  H      -1.319101     -5.876702      4.229532
  H      -3.716817     -7.722809      4.715673
  H      -2.381469     -8.032885      3.566430
  H      -7.067303     -6.970255      3.335817
  H      -5.895049     -6.972704      4.646458
  H      -5.286993     -6.762198      1.665078
  H      -4.941303     -8.179792      2.697408
  H      -2.706036     -4.722805      0.340462
  H      -4.378125     -5.095348      0.749646
  H      -1.853568     -6.110818      2.144336
  H      -2.961224     -7.103556      1.148076
  C       1.387234     -1.664884      2.410754
  N       0.159974     -0.917107      2.663326
  C      -0.713689     -1.555532      3.652883
  C      -1.450218     -2.802780      3.161692
  C      -2.511108     -2.694235      2.034223
  C      -1.794530     -2.602881      0.666793
  C      -2.693663     -2.286220     -0.535745
  C      -3.554379     -1.046755     -0.279466
  C      -4.322383     -1.208370      1.032048
  C      -3.353020     -1.409577      2.193968
  C     -10.217971     -5.933795      5.950653
  N      -8.845631     -6.380261      5.729959
  C      -7.842631     -5.370369      6.094187
  C      -7.787477     -4.152934      5.169629
  C      -7.358173     -4.360457      3.685818
  C      -8.487668     -5.059324      2.889284
  C      -8.152020     -5.267737      1.403206
  C      -7.360665     -4.082789      0.818846
  C      -7.687669     -2.816782      1.606591
  C      -7.187574     -2.941621      3.052734
  C      -3.848062     -0.962254      9.248154
  N      -3.374409     -1.624560      8.039019
  C      -2.439559     -2.721425      8.310967
  C      -2.141707     -3.544371      7.047142
  C      -2.928203     -4.891621      6.853007
  C      -2.183692     -5.987281      7.659232
  C      -2.355794     -5.907684      9.182593
  C      -3.844522     -5.855884      9.608503
  C      -4.765148     -5.904711      8.387258
  C      -4.393532     -4.798903      7.398930
  H       1.936763     -1.941129      3.336859
  H       2.056062     -1.070702      1.772735
  H       1.157926     -2.597088      1.873267
  H       0.403384      0.016670      2.996331
  H      -0.140437     -1.858219      4.559733
  H      -1.449257     -0.805922      3.981707
  H      -0.731195     -3.589867      2.877102
  H      -2.014314     -3.188831      4.023186
  H      -1.195797     -3.511698      0.489182
  H      -1.064922     -1.784550      0.782865
  H      -2.064523     -2.141182     -1.429327
  H      -3.364315     -3.131625     -0.760330
  H      -4.243509     -0.877837     -1.122521
  H      -2.904220     -0.155861     -0.211358
  H      -4.972549     -0.339056      1.219877
  H      -4.978944     -2.091189      0.966961
  H      -3.892691     -1.469790      3.149393
  H      -2.673635     -0.542381      2.241595
  H     -10.392253     -5.513851      6.965648
  H     -10.485567     -5.156402      5.220346
  H     -10.906167     -6.777939      5.802683
  H      -8.687967     -7.216512      6.293741
  H      -8.020476     -4.988633      7.126417
  H      -6.856824     -5.856272      6.104240
  H      -7.059713     -3.453378      5.620166
  H      -8.762163     -3.634531      5.186804
  H      -8.772586     -6.002826      3.371015
  H      -9.371346     -4.405506      2.974005
  H      -9.096242     -5.394965      0.848152
  H      -7.587820     -6.203075      1.265834
  H      -7.579877     -3.957569     -0.253201
  H      -6.279907     -4.274825      0.907949
  H      -8.779524     -2.652090      1.587797
  H      -7.237497     -1.928738      1.137082
  H      -6.122498     -2.684132      3.097518
  H      -7.709500     -2.203824      3.682386
  H      -4.474978     -1.679007      9.803220
  H      -4.482195     -0.105688      8.978171
  H      -3.040612     -0.606186      9.921204
  H      -2.898524     -0.949464      7.434763
  H      -2.920543     -3.352689      9.071818
  H      -1.501216     -2.355537      8.780590
  H      -2.349875     -2.927430      6.162669
  H      -1.065341     -3.779119      7.017514
  H      -1.110462     -5.955486      7.417798
  H      -2.549233     -6.976362      7.340885
  H      -1.874430     -6.798990      9.614115
  H      -1.801669     -5.047406      9.588001
  H      -4.075593     -6.677323     10.304022
  H      -4.049858     -4.922634     10.159686
  H      -5.814989     -5.782159      8.697966
  H      -4.695699     -6.896134      7.908920
  H      -4.558451     -3.833703      7.902302
  H      -5.068145     -4.796488      6.536111
  N      -4.631677     -2.913539      4.900772
  N      -4.948459     -1.795859      5.516187
  H      -4.831278     -1.832935      6.538920
  H      -4.468946     -0.954125      5.164115
111
Coordinates from ORCA-job /scratch/magstr/orcajob__5661762-f1oJ/orca E -5878.650027980971
  N      -3.378172     -3.899711      2.209279
  C      -3.352540     -4.949366      1.196480
  C      -2.901502     -6.247240      1.839177
  N      -3.733208     -6.471181      3.041749
  C      -5.038436     -7.079320      2.679583
  C      -6.110150     -6.558671      3.620447
  N      -6.087570     -5.101756      3.586728
  Mo     -4.207855     -4.411457      3.966782
  N      -2.970418     -5.222485      5.386631
  C      -2.135167     -6.295778      4.860576
  C      -3.002502     -7.252490      4.058401
  H      -1.626674     -6.877679      5.638734
  H      -1.323246     -5.900368      4.213814
  H      -3.737325     -7.718395      4.730794
  H      -2.412304     -8.055946      3.576722
  H      -7.081698     -6.969356      3.307512
  H      -5.926883     -6.974215      4.633929
  H      -5.288262     -6.759877      1.658525
  H      -4.959448     -8.181763      2.692922
  H      -2.682170     -4.730517      0.356013
  H      -4.359024     -5.090436      0.756037
  H      -1.855895     -6.137449      2.160783
  H      -2.968365     -7.114786      1.155235
  C       1.382868     -1.626244      2.401440
  N       0.149289     -0.894372      2.668771
  C      -0.705622     -1.546875      3.665988
  C      -1.433764     -2.799711      3.178923
  C      -2.496353     -2.697260      2.050798
  C      -1.783784     -2.605280      0.682037
  C      -2.687595     -2.293747     -0.518608
  C      -3.551773     -1.056892     -0.262269
  C      -4.316439     -1.218997      1.051173
  C      -3.343886     -1.416795      2.210386
  C     -10.239767     -5.913775      5.976614
  N      -8.876042     -6.369382      5.723197
  C      -7.857152     -5.373710      6.080674
  C      -7.799749     -4.153153      5.160933
  C      -7.371194     -4.357765      3.678274
  C      -8.502303     -5.054328      2.882184
  C      -8.169036     -5.260918      1.394227
  C      -7.351686     -4.090871      0.817722
  C      -7.674864     -2.817062      1.594066
  C      -7.198858     -2.938499      3.048757
  C      -3.876741     -0.973543      9.228170
  N      -3.374561     -1.617071      8.020371
  C      -2.438290     -2.712093      8.297464
  C      -2.140843     -3.545778      7.040181
  C      -2.918936     -4.897204      6.848371
  C      -2.169488     -5.992180      7.649762
  C      -2.327575     -5.904507      9.173993
  C      -3.813079     -5.856791      9.612499
  C      -4.743716     -5.913260      8.399252
  C      -4.382835     -4.815444      7.398085
  H       1.946993     -1.895606      3.320643
  H       2.036465     -1.023902      1.755406
  H       1.158839     -2.561150      1.866604
  H       0.384657      0.041131      3.002624
  H      -0.117105     -1.846395      4.564124
  H      -1.443998     -0.806217      4.008395
  H      -0.709551     -3.581889      2.893793
  H      -1.993106     -3.191987      4.041320
  H      -1.181309     -3.511503      0.504345
  H      -1.058191     -1.783185      0.795173
  H      -2.062040     -2.148905     -1.414634
  H      -3.356199     -3.141526     -0.739232
  H      -4.242971     -0.890902     -1.104097
  H      -2.903942     -0.164164     -0.197043
  H      -4.968588     -0.351412      1.239553
  H      -4.971393     -2.103110      0.988173
  H      -3.881151     -1.477080      3.166375
  H      -2.665895     -0.548575      2.255009
  H     -10.390403     -5.508393      7.001184
  H     -10.514278     -5.122241      5.264182
  H     -10.938680     -6.748946      5.828513
  H      -8.715038     -7.214794      6.272256
  H      -8.016244     -4.996797      7.117482
  H      -6.877219     -5.870697      6.075771
  H      -7.072004     -3.455990      5.612759
  H      -8.773297     -3.633279      5.177423
  H      -8.789807     -5.997398      3.363196
  H      -9.385326     -4.399773      2.969597
  H      -9.114434     -5.364924      0.836443
  H      -7.624392     -6.206862      1.251125
  H      -7.551697     -3.968036     -0.258336
  H      -6.276279     -4.299701      0.927664
  H      -8.764803     -2.642841      1.558858
  H      -7.210072     -1.935915      1.126152
  H      -6.136093     -2.675406      3.117119
  H      -7.735827     -2.204406      3.669882
  H      -4.505560     -1.701607      9.765773
  H      -4.515201     -0.120621      8.956868
  H      -3.086972     -0.615595      9.920820
  H      -2.897358     -0.930001      7.431322
  H      -2.916456     -3.334268      9.067295
  H      -1.497831     -2.343473      8.759863
  H      -2.354144     -2.932610      6.154227
  H      -1.063777     -3.776657      7.006071
  H      -1.097949     -5.964214      7.400504
  H      -2.539560     -6.981509      7.337705
  H      -1.835960     -6.789229      9.607298
  H      -1.775709     -5.037933      9.568116
  H      -4.035868     -6.676739     10.312271
  H      -4.015682     -4.922485     10.162845
  H      -5.791168     -5.789410      8.717112
  H      -4.678804     -6.908740      7.928216
  H      -4.554428     -3.845153      7.889660
  H      -5.063582     -4.826956      6.540069
  N      -4.632691     -2.919827      4.898598
  N      -4.939602     -1.787002      5.498293
  H      -4.808652     -1.813453      6.520494
  H      -4.457012     -0.956403      5.122377
111
Coordinates from ORCA-job /scratch/magstr/orcajob__5661762-f1oJ/orca E -5878.650473482749
  N      -3.360934     -3.906132      2.213305
  C      -3.336137     -4.955493      1.197951
  C      -2.900850     -6.258823      1.838771
  N      -3.739270     -6.476933      3.039282
  C      -5.045646     -7.079086      2.672354
  C      -6.119370     -6.556017      3.609119
  N      -6.090170     -5.097857      3.579670
  Mo     -4.204519     -4.416708      3.967808
  N      -2.951721     -5.218922      5.375797
  C      -2.132068     -6.307873      4.852180
  C      -3.013067     -7.261106      4.059329
  H      -1.621729     -6.887280      5.630513
  H      -1.323773     -5.920206      4.197404
  H      -3.751849     -7.712692      4.737196
  H      -2.434681     -8.074405      3.580048
  H      -7.089246     -6.963416      3.286309
  H      -5.945003     -6.974459      4.622878
  H      -5.288421     -6.755296      1.650946
  H      -4.972413     -8.182006      2.684504
  H      -2.661790     -4.738726      0.360498
  H      -4.342773     -5.086170      0.753985
  H      -1.855636     -6.162071      2.165113
  H      -2.975149     -7.124342      1.153479
  C       1.383835     -1.586024      2.387299
  N       0.142005     -0.871531      2.662726
  C      -0.696633     -1.536765      3.665802
  C      -1.416003     -2.796144      3.182820
  C      -2.479619     -2.701153      2.054073
  C      -1.768636     -2.610711      0.684830
  C      -2.675110     -2.306860     -0.515875
  C      -3.542463     -1.071633     -0.263734
  C      -4.305068     -1.230310      1.051215
  C      -3.331230     -1.423431      2.209613
  C     -10.240433     -5.875577      6.022183
  N      -8.885252     -6.340368      5.743031
  C      -7.852195     -5.353761      6.082530
  C      -7.794987     -4.138296      5.156665
  C      -7.372519     -4.351585      3.673751
  C      -8.508866     -5.049763      2.886993
  C      -8.190446     -5.259078      1.395469
  C      -7.358372     -4.102680      0.813776
  C      -7.670755     -2.820791      1.580765
  C      -7.199781     -2.935879      3.037682
  C      -3.943984     -1.027360      9.251651
  N      -3.411863     -1.633856      8.037778
  C      -2.463675     -2.721886      8.303697
  C      -2.158186     -3.545066      7.041338
  C      -2.916537     -4.903973      6.841029
  C      -2.159768     -5.993240      7.641571
  C      -2.307559     -5.891011      9.165445
  C      -3.790621     -5.851985      9.613748
  C      -4.728265     -5.926036      8.407072
  C      -4.382302     -4.840518      7.387511
  H       1.960360     -1.842843      3.302264
  H       2.022454     -0.977372      1.732318
  H       1.168433     -2.526465      1.858829
  H       0.366478      0.066816      2.996039
  H      -0.095718     -1.831569      4.557350
  H      -1.439069     -0.805077      4.018638
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  H      -1.162381     -3.514668      0.509476
  H      -1.047504     -1.784377      0.794198
  H      -2.051649     -2.164547     -1.413677
  H      -3.341701     -3.157336     -0.731650
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  H      -2.897047     -0.176883     -0.203065
  H      -4.957198     -0.362345      1.237719
  H      -4.960284     -2.114423      0.991947
  H      -3.868434     -1.482369      3.164947
  H      -2.654109     -0.554426      2.251317
  H     -10.370181     -5.475208      7.051517
  H     -10.520303     -5.077080      5.319612
  H     -10.948897     -6.703669      5.880370
  H      -8.719122     -7.189048      6.285289
  H      -7.991496     -4.972321      7.120461
  H      -6.877878     -5.860908      6.066106
  H      -7.065439     -3.439208      5.602189
  H      -8.767523     -3.616670      5.171346
  H      -8.795292     -5.990624      3.372966
  H      -9.390986     -4.394785      2.981767
  H      -9.141808     -5.345675      0.844976
  H      -7.663439     -6.213940      1.244715
  H      -7.553921     -3.985209     -0.263632
  H      -6.286255     -4.323950      0.930311
  H      -8.759220     -2.638393      1.541905
  H      -7.197788     -1.946907      1.107784
  H      -6.137264     -2.672223      3.111677
  H      -7.738906     -2.199624      3.654314
  H      -4.570732     -1.775774      9.762700
  H      -4.589921     -0.177034      8.990283
  H      -3.172642     -0.674092      9.966902
  H      -2.938552     -0.924278      7.473186
  H      -2.930171     -3.351090      9.074945
  H      -1.524436     -2.345565      8.761523
  H      -2.379991     -2.926458      6.161248
  H      -1.078587     -3.763180      7.002062
  H      -1.089209     -5.965108      7.387625
  H      -2.530010     -6.984727      7.336994
  H      -1.801849     -6.763597      9.606826
  H      -1.763019     -5.012705      9.543027
  H      -4.002844     -6.668937     10.320103
  H      -3.996252     -4.915659     10.159322
  H      -5.774718     -5.804423      8.728968
  H      -4.661935     -6.927004      7.947731
  H      -4.572122     -3.862380      7.856598
  H      -5.064307     -4.882089      6.531204
  N      -4.622829     -2.919350      4.890585
  N      -4.918221     -1.772318      5.475064
  H      -4.756931     -1.787910      6.494577
  H      -4.439106     -0.953375      5.069228
111
Coordinates from ORCA-job /scratch/magstr/orcajob__5661762-f1oJ/orca E -5878.650913506353
  N      -3.343560     -3.913328      2.221661
  C      -3.316132     -4.959106      1.201486
  C      -2.899135     -6.270228      1.838292
  N      -3.746682     -6.486085      3.033633
  C      -5.052818     -7.080205      2.657566
  C      -6.129363     -6.556934      3.589962
  N      -6.092066     -5.098269      3.570734
  Mo     -4.201665     -4.424659      3.973637
  N      -2.938580     -5.226355      5.369088
  C      -2.137396     -6.331196      4.846274
  C      -3.030908     -7.276394      4.058309
  H      -1.626897     -6.910530      5.624404
  H      -1.331580     -5.951479      4.184825
  H      -3.777572     -7.712200      4.738001
  H      -2.464530     -8.099911      3.582301
  H      -7.097394     -6.958439      3.254572
  H      -5.965827     -6.981669      4.603121
  H      -5.286989     -6.749028      1.636570
  H      -4.986228     -8.183744      2.664690
  H      -2.633099     -4.742792      0.371245
  H      -4.320643     -5.076815      0.748094
  H      -1.854959     -6.189434      2.171732
  H      -2.980178     -7.130812      1.147749
  C       1.384518     -1.543383      2.390064
  N       0.133884     -0.848027      2.674317
  C      -0.689722     -1.530255      3.678760
  C      -1.399980     -2.794869      3.194488
  C      -2.464650     -2.704503      2.066226
  C      -1.752776     -2.608112      0.697927
  C      -2.659375     -2.306646     -0.503449
  C      -3.531602     -1.075119     -0.251841
  C      -4.294743     -1.236911      1.062243
  C      -3.322345     -1.431000      2.221390
  C     -10.250908     -5.834315      6.065460
  N      -8.906417     -6.313703      5.763802
  C      -7.856000     -5.338788      6.079342
  C      -7.794329     -4.129952      5.145563
  C      -7.375616     -4.353180      3.662916
  C      -8.514949     -5.055946      2.885277
  C      -8.214170     -5.265273      1.389740
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  C      -7.679353     -2.830946      1.562413
  C      -7.206461     -2.940733      3.019114
  C      -3.980276     -1.032181      9.237606
  N      -3.427943     -1.622934      8.024422
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  C      -2.176828     -3.549883      7.036210
  C      -2.915673     -4.918106      6.836062
  C      -2.147048     -6.001794      7.631585
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  C      -4.382414     -4.876011      7.384437
  H       1.972709     -1.788979      3.300594
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  H       1.178922     -2.488256      1.865711
  H       0.346551      0.091627      3.011742
  H      -0.078027     -1.823523      4.563523
  H      -1.437046     -0.809531      4.043829
  H      -0.663051     -3.564541      2.907125
  H      -1.938839     -3.199045      4.066144
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  H      -2.035788     -2.161924     -1.400755
  H      -3.322772     -3.159149     -0.720536
  H      -4.223400     -0.916858     -1.094516
  H      -2.890008     -0.177677     -0.190327
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  H      -4.951182     -2.120002      1.001396
  H      -3.862676     -1.495270      3.173792
  H      -2.647716     -0.560217      2.267360
  H     -10.359483     -5.433644      7.097146
  H     -10.532132     -5.031191      5.368599
  H     -10.971616     -6.653326      5.933164
  H      -8.736387     -7.163670      6.302702
  H      -7.971506     -4.949959      7.117536
  H      -6.890151     -5.861025      6.050754
  H      -7.062047     -3.430836      5.584746
  H      -8.764414     -3.603559      5.156290
  H      -8.797192     -5.995544      3.376024
  H      -9.397985     -4.403357      2.989773
  H      -9.172797     -5.337298      0.849835
  H      -7.701950     -6.226719      1.228193
  H      -7.571541     -4.005340     -0.276594
  H      -6.304458     -4.346264      0.918958
  H      -8.767166     -2.644283      1.524343
  H      -7.203130     -1.961737      1.084347
  H      -6.144154     -2.675591      3.092027
  H      -7.744834     -2.202575      3.634175
  H      -4.622308     -1.780728      9.728271
  H      -4.612857     -0.171528      8.977643
  H      -3.220505     -0.696218      9.972941
  H      -2.943127     -0.903933      7.481786
  H      -2.953609     -3.337732      9.071271
  H      -1.545530     -2.341149      8.743687
  H      -2.402273     -2.934018      6.155038
  H      -1.095194     -3.758490      6.996723
  H      -1.078881     -5.974148      7.366303
  H      -2.520237     -6.994659      7.335598
  H      -1.754160     -6.747652      9.601773
  H      -1.735225     -4.998118      9.513007
  H      -3.952046     -6.669985     10.335232
  H      -3.958043     -4.917713     10.166963
  H      -5.749733     -5.823247      8.761701
  H      -4.644501     -6.951849      7.981806
  H      -4.596307     -3.888196      7.820675
  H      -5.066357     -4.961640      6.532818
  N      -4.615907     -2.924896      4.893107
  N      -4.898878     -1.764691      5.465081
  H      -4.736077     -1.773650      6.487426
  H      -4.428951     -0.950601      5.036516
111
Coordinates from ORCA-job /scratch/magstr/orcajob__5661762-f1oJ/orca E -5878.651246134773
  N      -3.328306     -3.921217      2.224181
  C      -3.302667     -4.964455      1.202155
  C      -2.896771     -6.280360      1.838144
  N      -3.746865     -6.492566      3.031892
  C      -5.054330     -7.081459      2.653495
  C      -6.130858     -6.553262      3.583607
  N      -6.085680     -5.095143      3.567664
  Mo     -4.192044     -4.424601      3.978320
  N      -2.923423     -5.229048      5.364851
  C      -2.136749     -6.345501      4.844205
  C      -3.039898     -7.284484      4.061360
  H      -1.628074     -6.925607      5.623034
  H      -1.330628     -5.974650      4.178210
  H      -3.793375     -7.706230      4.742632
  H      -2.482386     -8.117262      3.590875
  H      -7.100085     -6.948766      3.244841
  H      -5.972784     -6.980274      4.597328
  H      -5.285804     -6.749360      1.632171
  H      -4.992833     -8.185460      2.659837
  H      -2.611307     -4.751034      0.377728
  H      -4.304684     -5.072941      0.740276
  H      -1.851979     -6.210606      2.172042
  H      -2.984619     -7.137982      1.144461
  C       1.390771     -1.513982      2.369159
  N       0.134954     -0.830531      2.659579
  C      -0.677477     -1.521237      3.667306
  C      -1.382438     -2.791372      3.186986
  C      -2.454059     -2.709701      2.064719
  C      -1.746287     -2.611900      0.694074
  C      -2.657577     -2.320413     -0.506099
  C      -3.537297     -1.093772     -0.257088
  C      -4.295100     -1.254492      1.060155
  C      -3.318867     -1.440461      2.217699
  C     -10.259878     -5.786851      6.084054
  N      -8.925608     -6.287170      5.774210
  C      -7.857072     -5.328583      6.077079
  C      -7.782224     -4.120802      5.143188
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  C      -7.378512     -4.118444      0.796807
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  C      -7.197357     -2.937925      3.011960
  C      -4.037229     -1.067742      9.275062
  N      -3.474858     -1.629443      8.051834
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  C      -2.914591     -4.923155      6.832357
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  C      -3.726191     -5.856158      9.627418
  C      -4.685608     -5.966423      8.440099
  C      -4.384274     -4.908739      7.377139
  H       1.988028     -1.749714      3.276419
  H       2.002995     -0.893756      1.699881
  H       1.190860     -2.463108      1.850295
  H       0.340310      0.110746      2.997154
  H      -0.058624     -1.810784      4.548311
  H      -1.428461     -0.807289      4.038221
  H      -0.640733     -3.555019      2.895212
  H      -1.905853     -3.199152      4.066532
  H      -1.129448     -3.508410      0.517902
  H      -1.036894     -1.775279      0.800889
  H      -2.036658     -2.174757     -1.405158
  H      -3.315959     -3.177916     -0.719311
  H      -4.232809     -0.944354     -1.098358
  H      -2.902221     -0.191274     -0.201621
  H      -4.947676     -0.386820      1.247361
  H      -4.949815     -2.139528      1.005180
  H      -3.858600     -1.507979      3.169957
  H      -2.650172     -0.564993      2.261913
  H     -10.355726     -5.382169      7.115541
  H     -10.532325     -4.980601      5.387265
  H     -10.994613     -6.594271      5.957571
  H      -8.761592     -7.138613      6.312606
  H      -7.954019     -4.937366      7.116539
  H      -6.901506     -5.868977      6.038361
  H      -7.040624     -3.430526      5.580309
  H      -8.745966     -3.582485      5.155083
  H      -8.793684     -5.988726      3.380833
  H      -9.392802     -4.396051      2.998791
  H      -9.186761     -5.319616      0.857541
  H      -7.722352     -6.225998      1.220234
  H      -7.577274     -4.007269     -0.280527
  H      -6.308583     -4.352419      0.912422
  H      -8.761223     -2.636056      1.521292
  H      -7.194664     -1.962665      1.075454
  H      -6.133990     -2.675210      3.079457
  H      -7.731543     -2.197083      3.627627
  H      -4.686560     -1.824160      9.742883
  H      -4.661817     -0.196741      9.031267
  H      -3.281131     -0.754869     10.024003
  H      -2.982723     -0.895281      7.536143
  H      -2.997843     -3.360086      9.073677
  H      -1.594131     -2.351231      8.761833
  H      -2.451980     -2.921820      6.164146
  H      -1.122873     -3.724418      6.992424
  H      -1.062371     -5.955047      7.356421
  H      -2.493460     -6.991386      7.340790
  H      -1.713284     -6.719185      9.603531
  H      -1.720745     -4.970755      9.498032
  H      -3.909635     -6.671356     10.343695
  H      -3.939996     -4.920238     10.170438
  H      -5.728162     -5.853894      8.778055
  H      -4.615819     -6.976813      8.002011
  H      -4.629264     -3.916248      7.785174
  H      -5.061302     -5.038156      6.525636
  N      -4.602520     -2.925234      4.896691
  N      -4.874461     -1.756764      5.458887
  H      -4.690493     -1.758901      6.479913
  H      -4.408661     -0.950082      5.012036
111
Coordinates from ORCA-job /scratch/magstr/orcajob__5661762-f1oJ/orca E -5878.651584794444
  N      -3.319288     -3.926126      2.220711
  C      -3.292504     -4.969993      1.200701
  C      -2.890814     -6.287382      1.839294
  N      -3.741138     -6.497390      3.031913
  C      -5.050651     -7.083477      2.655445
  C      -6.124871     -6.550119      3.587695
  N      -6.075033     -5.092676      3.571588
  Mo     -4.179976     -4.417774      3.981621
  N      -2.914264     -5.233634      5.366813
  C      -2.136296     -6.355600      4.847415
  C      -3.043214     -7.289348      4.065739
  H      -1.631332     -6.938055      5.627262
  H      -1.327154     -5.992014      4.180601
  H      -3.803470     -7.701704      4.745366
  H      -2.489550     -8.128375      3.601520
  H      -7.097384     -6.940811      3.253516
  H      -5.965629     -6.977470      4.601846
  H      -5.285123     -6.753397      1.634085
  H      -4.991387     -8.187725      2.661935
  H      -2.592247     -4.760541      0.382469
  H      -4.290302     -5.076027      0.729061
  H      -1.845250     -6.221628      2.171887
  H      -2.980752     -7.143647      1.143646
  C       1.391973     -1.488036      2.353414
  N       0.132700     -0.811926      2.646019
  C      -0.674191     -1.507212      3.654687
  C      -1.373180     -2.782491      3.176057
  C      -2.452220     -2.709664      2.060191
  C      -1.746209     -2.602683      0.688432
  C      -2.659395     -2.315780     -0.511149
  C      -3.549143     -1.096769     -0.259684
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  C      -3.326103     -1.446261      2.216044
  C     -10.264482     -5.744807      6.089642
  N      -8.933761     -6.260811      5.793276
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  C      -7.358949     -4.347870      3.656612
  C      -8.502511     -5.054906      2.890866
  C      -8.217932     -5.273776      1.394621
  C      -7.381698     -4.132321      0.790508
  C      -7.678185     -2.839605      1.545913
  C      -7.188792     -2.940977      2.997630
  C      -4.047507     -1.061088      9.288146
  N      -3.483031     -1.621203      8.063459
  C      -2.568445     -2.745110      8.320779
  C      -2.225394     -3.545092      7.050297
  C      -2.914797     -4.932302      6.835107
  C      -2.122621     -5.999513      7.629346
  C      -2.245059     -5.886144      9.153467
  C      -3.720804     -5.881986      9.627818
  C      -4.681864     -5.988431      8.440987
  C      -4.388169     -4.930919      7.374964
  H       1.994549     -1.715903      3.259211
  H       1.997205     -0.866599      1.678875
  H       1.195979     -2.440682      1.839530
  H       0.332703      0.130607      2.983348
  H      -0.054173     -1.793314      4.535889
  H      -1.430127     -0.798260      4.025094
  H      -0.626228     -3.538842      2.878235
  H      -1.881333     -3.194040      4.063625
  H      -1.122199     -3.493642      0.509304
  H      -1.043670     -1.760438      0.797172
  H      -2.038769     -2.162621     -1.409228
  H      -3.310598     -3.178024     -0.727322
  H      -4.247347     -0.953454     -1.099809
  H      -2.922655     -0.188284     -0.204346
  H      -4.959870     -0.400293      1.248341
  H      -4.954341     -2.153195      1.003195
  H      -3.867819     -1.523973      3.166654
  H      -2.666529     -0.564201      2.265645
  H     -10.361200     -5.320175      7.113102
  H     -10.527262     -4.949319      5.376959
  H     -11.005711     -6.548107      5.975030
  H      -8.775809     -7.104335      6.345721
  H      -7.946799     -4.904752      7.118714
  H      -6.907651     -5.857448      6.044823
  H      -7.024723     -3.420468      5.570640
  H      -8.731914     -3.559996      5.148253
  H      -8.783276     -5.989851      3.391632
  H      -9.383120     -4.399945      3.000565
  H      -9.184411     -5.339253      0.867605
  H      -7.715500     -6.239886      1.228052
  H      -7.587582     -4.027983     -0.286148
  H      -6.309456     -4.360058      0.899674
  H      -8.765790     -2.650056      1.516921
  H      -7.203867     -1.975077      1.057044
  H      -6.123665     -2.681539      3.047849
  H      -7.713781     -2.193303      3.612932
  H      -4.726354     -1.802603      9.736525
  H      -4.638612     -0.166074      9.048727
  H      -3.289919     -0.785436     10.049762
  H      -2.958526     -0.891705      7.572648
  H      -3.063568     -3.379066      9.067389
  H      -1.635658     -2.387154      8.803486
  H      -2.467447     -2.925058      6.177039
  H      -1.137067     -3.717073      7.013467
  H      -1.057274     -5.954891      7.353410
  H      -2.484044     -6.998283      7.339635
  H      -1.704608     -6.734169      9.601188
  H      -1.718976     -4.985460      9.502982
  H      -3.900130     -6.704968     10.336261
  H      -3.939197     -4.953073     10.180917
  H      -5.723786     -5.879018      8.782074
  H      -4.611646     -6.996596      7.998243
  H      -4.650795     -3.938039      7.769875
  H      -5.054897     -5.083292      6.519348
  N      -4.593210     -2.924187      4.902605
  N      -4.858802     -1.751987      5.459569
  H      -4.685620     -1.748762      6.484797
  H      -4.392731     -0.945791      5.011490
111
Coordinates from ORCA-job /scratch/magstr/orcajob__5661762-f1oJ/orca E -5878.651843548764
  N      -3.314318     -3.927918      2.226439
  C      -3.292891     -4.968916      1.205567
  C      -2.894547     -6.288646      1.844564
  N      -3.741904     -6.498486      3.037121
  C      -5.053271     -7.082772      2.663180
  C      -6.124084     -6.543436      3.596209
  N      -6.072179     -5.087005      3.572782
  Mo     -4.176811     -4.408528      3.988856
  N      -2.910021     -5.231639      5.371062
  C      -2.137305     -6.356010      4.851265
  C      -3.047858     -7.288849      4.072534
  H      -1.632754     -6.940000      5.630182
  H      -1.326842     -5.997809      4.182708
  H      -3.810320     -7.696665      4.752430
  H      -2.495777     -8.131952      3.613089
  H      -7.099864     -6.932502      3.270801
  H      -5.961085     -6.968000      4.611415
  H      -5.291122     -6.756893      1.641117
  H      -4.994935     -8.186992      2.671900
  H      -2.584497     -4.763406      0.392380
  H      -4.287079     -5.071284      0.726085
  H      -1.847661     -6.224232      2.173306
  H      -2.986247     -7.143266      1.146798
  C       1.396328     -1.487851      2.331876
  N       0.140125     -0.807143      2.626646
  C      -0.666468     -1.497107      3.638814
  C      -1.363771     -2.776379      3.166591
  C      -2.449788     -2.712058      2.057170
  C      -1.746618     -2.613572      0.682658
  C      -2.661094     -2.336227     -0.517488
  C      -3.551366     -1.115931     -0.273153
  C      -4.302628     -1.274400      1.047943
  C      -3.323533     -1.447123      2.206691
  C     -10.272660     -5.739816      6.056631
  N      -8.940884     -6.265040      5.782279
  C      -7.863056     -5.314426      6.079509
  C      -7.770199     -4.108983      5.144275
  C      -7.355658     -4.343079      3.661173
  C      -8.499288     -5.044965      2.890869
  C      -8.210405     -5.258847      1.395224
  C      -7.381583     -4.109350      0.795904
  C      -7.681225     -2.822923      1.560903
  C      -7.183084     -2.932554      3.009348
  C      -4.052144     -1.043600      9.305228
  N      -3.507532     -1.611551      8.073206
  C      -2.603825     -2.747019      8.329408
  C      -2.250127     -3.532180      7.052139
  C      -2.913827     -4.932288      6.840086
  C      -2.101784     -5.982922      7.636166
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  C      -3.707823     -5.910250      9.628935
  C      -4.664583     -6.025014      8.439093
  C      -4.388952     -4.955770      7.379346
  H       2.001317     -1.715007      3.236273
  H       2.001112     -0.870076      1.653608
  H       1.195564     -2.441335      1.821456
  H       0.343722      0.135880      2.960428
  H      -0.048571     -1.778630      4.522826
  H      -1.424394     -0.787108      4.002934
  H      -0.614914     -3.529534      2.865351
  H      -1.862445     -3.187413      4.059474
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  H      -1.043663     -1.770860      0.785270
  H      -2.040905     -2.188054     -1.416725
  H      -3.311259     -3.200901     -0.727386
  H      -4.252602     -0.980851     -1.112131
  H      -2.926405     -0.205941     -0.227022
  H      -4.958000     -0.408338      1.233373
  H      -4.952759     -2.163195      1.000510
  H      -3.865964     -1.522444      3.157340
  H      -2.667500     -0.562456      2.253016
  H     -10.379894     -5.301023      7.073093
  H     -10.523612     -4.953203      5.330048
  H     -11.015939     -6.541604      5.944565
  H      -8.794076     -7.104112      6.344682
  H      -7.955714     -4.916154      7.116951
  H      -6.915370     -5.868556      6.041818
  H      -7.016129     -3.432760      5.579754
  H      -8.725071     -3.554904      5.158475
  H      -8.782014     -5.981672      3.387480
  H      -9.378266     -4.388132      3.000510
  H      -9.175805     -5.328262      0.866603
  H      -7.701733     -6.221177      1.227103
  H      -7.591093     -3.999056     -0.279505
  H      -6.307396     -4.331297      0.898748
  H      -8.769422     -2.636552      1.538318
  H      -7.212316     -1.953627      1.075223
  H      -6.116281     -2.677621      3.049496
  H      -7.701461     -2.185610      3.630935
  H      -4.736744     -1.775332      9.760166
  H      -4.630610     -0.138995      9.071902
  H      -3.279231     -0.782283     10.056201
  H      -2.970529     -0.889437      7.584338
  H      -3.118308     -3.388287      9.055612
  H      -1.678058     -2.400616      8.833214
  H      -2.514530     -2.919086      6.180811
  H      -1.158444     -3.678101      7.007320
  H      -1.038618     -5.916572      7.356649
  H      -2.443882     -6.989246      7.349310
  H      -1.676317     -6.719511      9.604571
  H      -1.723796     -4.970337      9.519178
  H      -3.871613     -6.744343     10.328157
  H      -3.948356     -4.993005     10.192007
  H      -5.708202     -5.936816      8.781048
  H      -4.575226     -7.027484      7.987513
  H      -4.670875     -3.970150      7.778317
  H      -5.046950     -5.118827      6.519123
  N      -4.596157     -2.926493      4.921865
  N      -4.859525     -1.755536      5.479436
  H      -4.696334     -1.750597      6.506987
  H      -4.385194     -0.949998      5.039166
111
Coordinates from ORCA-job /scratch/magstr/orcajob__5661762-f1oJ/orca E -5878.652018836215
  N      -3.307352     -3.931284      2.222632
  C      -3.288379     -4.978173      1.207034
  C      -2.890782     -6.296156      1.851635
  N      -3.735054     -6.501797      3.046781
  C      -5.049669     -7.085932      2.681141
  C      -6.116032     -6.539156      3.616942
  N      -6.064589     -5.082116      3.582388
  Mo     -4.167219     -4.399264      3.988310
  N      -2.897212     -5.221348      5.373356
  C      -2.125615     -6.348117      4.856960
  C      -3.038099     -7.285987      4.084050
  H      -1.620311     -6.929433      5.637581
  H      -1.314861     -5.994568      4.186319
  H      -3.798223     -7.692153      4.767432
  H      -2.485713     -8.131334      3.628739
  H      -7.094779     -6.929584      3.301923
  H      -5.946418     -6.957665      4.633404
  H      -5.292240     -6.766412      1.658121
  H      -4.991762     -8.190042      2.695737
  H      -2.578562     -4.778720      0.393649
  H      -4.281726     -5.083434      0.726804
  H      -1.843039     -6.228703      2.176951
  H      -2.982386     -7.153251      1.156882
  C       1.392964     -1.474202      2.300274
  N       0.137189     -0.794686      2.599260
  C      -0.663287     -1.482225      3.617628
  C      -1.355990     -2.766713      3.152789
  C      -2.449067     -2.710567      2.048425
  C      -1.752006     -2.608142      0.670649
  C      -2.671940     -2.333633     -0.525804
  C      -3.566659     -1.117367     -0.276657
  C      -4.311979     -1.280190      1.047239
  C      -3.327976     -1.449360      2.202682
  C     -10.278186     -5.712203      6.039786
  N      -8.944421     -6.246030      5.791437
  C      -7.867656     -5.294124      6.090771
  C      -7.766765     -4.094856      5.148113
  C      -7.348104     -4.337283      3.667616
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  C      -8.190474     -5.269756      1.405959
  C      -7.371284     -4.116236      0.800771
  C      -7.679218     -2.828796      1.560825
  C      -7.174325     -2.930202      3.007677
  C      -4.049292     -1.036905      9.322578
  N      -3.504154     -1.609980      8.092228
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  C      -2.253812     -3.533920      7.073096
  C      -2.911249     -4.935294      6.845475
  C      -2.099453     -5.986814      7.640040
  C      -2.246033     -5.898124      9.164051
  C      -3.728054     -5.951241      9.613930
  C      -4.670781     -6.056848      8.412134
  C      -4.391478     -4.969865      7.371687
  H       2.003298     -1.697207      3.202061
  H       1.992991     -0.857686      1.616739
  H       1.191150     -2.429732      1.794255
  H       0.340708      0.150011      2.928238
  H      -0.042715     -1.757536      4.501631
  H      -1.423476     -0.773425      3.979060
  H      -0.604436     -3.515613      2.847978
  H      -1.846536     -3.178546      4.050614
  H      -1.124525     -3.497164      0.493304
  H      -1.051832     -1.762978      0.771827
  H      -2.055464     -2.181234     -1.426852
  H      -3.318529     -3.201078     -0.734285
  H      -4.272629     -0.985341     -1.112087
  H      -2.945787     -0.204532     -0.233116
  H      -4.970605     -0.417405      1.236006
  H      -4.957991     -2.172008      1.000863
  H      -3.867381     -1.528449      3.155435
  H      -2.677227     -0.561095      2.248537
  H     -10.396433     -5.253522      7.046143
  H     -10.518991     -4.939669      5.294981
  H     -11.021928     -6.514543      5.935285
  H      -8.809211     -7.076052      6.370040
  H      -7.969371     -4.887794      7.124056
  H      -6.920132     -5.848832      6.064877
  H      -7.010499     -3.420615      5.582600
  H      -8.718972     -3.536487      5.157674
  H      -8.773081     -5.978235      3.399344
  H      -9.368230     -4.387067      2.997384
  H      -9.152161     -5.355085      0.872982
  H      -7.669963     -6.227681      1.250719
  H      -7.582131     -4.011991     -0.275019
  H      -6.295070     -4.328620      0.903044
  H      -8.768579     -2.649711      1.540871
  H      -7.217574     -1.958277      1.070361
  H      -6.106372     -2.679316      3.036866
  H      -7.685865     -2.177248      3.627269
  H      -4.747746     -1.760668      9.768895
  H      -4.612433     -0.123252      9.087465
  H      -3.276903     -0.790513     10.078992
  H      -2.947678     -0.897005      7.611626
  H      -3.171326     -3.408249      9.053444
  H      -1.708262     -2.440479      8.891697
  H      -2.517668     -2.918501      6.203625
  H      -1.161095     -3.672126      7.034527
  H      -1.035061     -5.909760      7.368686
  H      -2.430799     -6.994224      7.344153
  H      -1.689094     -6.739325      9.604307
  H      -1.752732     -4.989455      9.540239
  H      -3.891480     -6.797506     10.298472
  H      -3.984785     -5.045527     10.188343
  H      -5.718179     -5.981659      8.745340
  H      -4.567890     -7.051344      7.946325
  H      -4.679905     -3.992362      7.785718
  H      -5.039434     -5.120957      6.501679
  N      -4.592192     -2.922560      4.921778
  N      -4.853743     -1.748130      5.472599
  H      -4.688925     -1.731375      6.499437
  H      -4.381883     -0.945451      5.024592
111
Coordinates from ORCA-job /scratch/magstr/orcajob__5661762-f1oJ/orca E -5878.652194471865
  N      -3.301088     -3.931441      2.223531
  C      -3.286089     -4.980718      1.209096
  C      -2.891170     -6.299353      1.854055
  N      -3.732119     -6.505227      3.051519
  C      -5.048646     -7.088791      2.693457
  C      -6.109752     -6.538211      3.632583
  N      -6.059716     -5.080702      3.589027
  Mo     -4.161864     -4.392962      3.989650
  N      -2.886769     -5.214549      5.374350
  C      -2.113514     -6.339882      4.855296
  C      -3.027352     -7.284487      4.087891
  H      -1.600604     -6.917441      5.633530
  H      -1.308337     -5.984424      4.179540
  H      -3.781675     -7.693161      4.776153
  H      -2.473625     -8.128817      3.632315
  H      -7.090227     -6.931443      3.326119
  H      -5.933174     -6.950725      4.649829
  H      -5.294227     -6.772052      1.670312
  H      -4.991609     -8.192852      2.711479
  H      -2.577739     -4.784236      0.393712
  H      -4.280706     -5.084906      0.731428
  H      -1.843043     -6.230596      2.177686
  H      -2.982871     -7.156469      1.159648
  C       1.392987     -1.466511      2.279590
  N       0.137703     -0.787559      2.581392
  C      -0.657810     -1.472518      3.605391
  C      -1.347131     -2.761026      3.146985
  C      -2.443925     -2.709772      2.044327
  C      -1.752239     -2.612598      0.663751
  C      -2.677662     -2.344553     -0.529618
  C      -3.571074     -1.127025     -0.282472
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  C      -3.322847     -1.448684      2.197308
  C     -10.300131     -5.683579      6.021113
  N      -8.971034     -6.234821      5.783752
  C      -7.885278     -5.295365      6.091158
  C      -7.767935     -4.095266      5.151278
  C      -7.343801     -4.336336      3.673044
  C      -8.480488     -5.046441      2.899413
  C      -8.175399     -5.269312      1.408589
  C      -7.371108     -4.104691      0.804223
  C      -7.686067     -2.823566      1.571778
  C      -7.169471     -2.928832      3.014106
  C      -4.048995     -1.032701      9.336645
  N      -3.510945     -1.612194      8.105989
  C      -2.639660     -2.772385      8.369205
  C      -2.264875     -3.533073      7.082530
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  C      -2.088943     -5.983507      7.644458
  C      -2.244512     -5.892055      9.167393
  C      -3.728447     -5.970841      9.607509
  C      -4.661935     -6.087652      8.399678
  C      -4.390951     -4.991754      7.367309
  H       2.007464     -1.685758      3.179347
  H       1.989332     -0.851522      1.591634
  H       1.190350     -2.423821      1.777556
  H       0.341806      0.158450      2.906034
  H      -0.034323     -1.742525      4.488932
  H      -1.418740     -0.764076      3.965523
  H      -0.593772     -3.507704      2.841613
  H      -1.832308     -3.173551      4.048537
  H      -1.124977     -3.502016      0.488184
  H      -1.051921     -1.766998      0.758724
  H      -2.065749     -2.196737     -1.434401
  H      -3.324584     -3.213495     -0.729774
  H      -4.281037     -0.998974     -1.115009
  H      -2.949675     -0.214328     -0.246909
  H      -4.968574     -0.419489      1.232730
  H      -4.957954     -2.174483      1.003914
  H      -3.858433     -1.523145      3.152585
  H      -2.672043     -0.560500      2.237378
  H     -10.418327     -5.217277      7.023809
  H     -10.528725     -4.913475      5.270135
  H     -11.052120     -6.478306      5.918505
  H      -8.852358     -7.064020      6.367198
  H      -7.989352     -4.889860      7.124247
  H      -6.943275     -5.859051      6.069997
  H      -7.007857     -3.429535      5.591794
  H      -8.714561     -3.528018      5.157595
  H      -8.763685     -5.981622      3.398326
  H      -9.362483     -4.391968      2.995776
  H      -9.133642     -5.371395      0.872649
  H      -7.639249     -6.219081      1.258295
  H      -7.587751     -3.997545     -0.270087
  H      -6.292409     -4.306829      0.900312
  H      -8.776825     -2.653573      1.560039
  H      -7.235014     -1.946664      1.083024
  H      -6.099794     -2.684161      3.031911
  H      -7.669782     -2.173455      3.639405
  H      -4.745492     -1.754651      9.788522
  H      -4.613272     -0.120164      9.100347
  H      -3.273082     -0.783820     10.088440
  H      -2.953351     -0.904905      7.618795
  H      -3.202165     -3.420032      9.053949
  H      -1.729096     -2.462461      8.921694
  H      -2.541813     -2.918904      6.216278
  H      -1.171165     -3.658168      7.036538
  H      -1.024749     -5.894683      7.376511
  H      -2.406578     -6.995857      7.350508
  H      -1.675183     -6.722340      9.612419
  H      -1.771162     -4.973953      9.545273
  H      -3.882525     -6.821543     10.288609
  H      -4.003637     -5.070913     10.182463
  H      -5.712144     -6.029923      8.727045
  H      -4.540114     -7.078458      7.930517
  H      -4.689678     -4.020427      7.789006
  H      -5.034157     -5.140645      6.493214
  N      -4.595185     -2.923664      4.927453
  N      -4.854740     -1.744671      5.474103
  H      -4.713707     -1.731553      6.503891
  H      -4.357690     -0.950826      5.036977
111
Coordinates from ORCA-job /scratch/magstr/orcajob__5661762-f1oJ/orca E -5878.652350386553
  N      -3.291044     -3.928852      2.231719
  C      -3.282321     -4.979145      1.216621
  C      -2.891695     -6.299316      1.859993
  N      -3.728809     -6.506452      3.060402
  C      -5.045643     -7.091101      2.710933
  C      -6.101538     -6.536985      3.651330
  N      -6.054031     -5.079459      3.594751
  Mo     -4.157782     -4.384611      3.995548
  N      -2.871959     -5.200112      5.376245
  C      -2.098308     -6.324675      4.853722
  C      -3.013103     -7.278765      4.095347
  H      -1.573895     -6.895273      5.629521
  H      -1.302607     -5.965847      4.169431
  H      -3.758795     -7.690734      4.791229
  H      -2.457848     -8.121359      3.638462
  H      -7.082422     -6.935909      3.352869
  H      -5.917786     -6.939410      4.670950
  H      -5.292815     -6.777562      1.687159
  H      -4.989831     -8.195262      2.733992
  H      -2.577745     -4.784933      0.397430
  H      -4.280338     -5.079068      0.744618
  H      -1.843078     -6.231237      2.182259
  H      -2.985083     -7.155555      1.165040
  C       1.396204     -1.452131      2.253536
  N       0.141088     -0.776283      2.563337
  C      -0.645769     -1.462102      3.593280
  C      -1.333808     -2.753686      3.142339
  C      -2.436095     -2.706160      2.043620
  C      -1.753921     -2.615544      0.658495
  C      -2.689337     -2.355468     -0.528825
  C      -3.580542     -1.136353     -0.282660
  C      -4.311304     -1.284207      1.050959
  C      -3.315052     -1.445637      2.196320
  C     -10.316870     -5.641483      6.029275
  N      -8.994876     -6.211782      5.793522
  C      -7.897247     -5.283894      6.094861
  C      -7.767303     -4.089627      5.148566
  C      -7.339055     -4.336208      3.673331
  C      -8.470481     -5.053123      2.897448
  C      -8.156279     -5.279463      1.408993
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  C      -7.691578     -2.827244      1.571469
  C      -7.163494     -2.931185      3.009139
  C      -4.054504     -1.013920      9.337337
  N      -3.517699     -1.608022      8.113922
  C      -2.665501     -2.778469      8.386753
  C      -2.281034     -3.534205      7.100178
  C      -2.908897     -4.947254      6.853624
  C      -2.081602     -5.989416      7.643141
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  C      -4.659329     -6.134959      8.373828
  C      -4.393252     -5.020672      7.360625
  H       2.016911     -1.670174      3.149304
  H       1.986793     -0.835170      1.562325
  H       1.193162     -2.409698      1.752108
  H       0.345578      0.170235      2.886365
  H      -0.015229     -1.728073      4.473095
  H      -1.405739     -0.754741      3.957452
  H      -0.580048     -3.499201      2.835053
  H      -1.811117     -3.166942      4.047254
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  H      -2.085532     -2.214030     -1.440039
  H      -3.337499     -3.226195     -0.716701
  H      -4.296777     -1.012751     -1.110539
  H      -2.958101     -0.223928     -0.258079
  H      -4.966676     -0.418890      1.238563
  H      -4.960400     -2.174322      1.017533
  H      -3.842752     -1.512426      3.156416
  H      -2.662579     -0.558224      2.225851
  H     -10.424410     -5.161402      7.026588
  H     -10.541131     -4.878609      5.269717
  H     -11.077880     -6.429334      5.941055
  H      -8.888346     -7.036714      6.385465
  H      -7.996817     -4.871854      7.125722
  H      -6.961389     -5.858034      6.077674
  H      -7.004408     -3.427507      5.589853
  H      -8.709323     -3.514911      5.148663
  H      -8.753083     -5.987903      3.397000
  H      -9.356161     -4.402523      2.986509
  H      -9.109491     -5.404955      0.869272
  H      -7.600788     -6.219750      1.269835
  H      -7.592345     -3.998600     -0.272383
  H      -6.287565     -4.295509      0.890811
  H      -8.783933     -2.667572      1.567980
  H      -7.252264     -1.944879      1.081713
  H      -6.091936     -2.693583      3.015545
  H      -7.651076     -2.170003      3.637266
  H      -4.754456     -1.729401      9.794423
  H      -4.616173     -0.102170      9.091481
  H      -3.280473     -0.760043     10.089598
  H      -2.953670     -0.911371      7.618835
  H      -3.250533     -3.421918      9.057259
  H      -1.761312     -2.486712      8.959701
  H      -2.567237     -2.921081      6.236110
  H      -1.186391     -3.647821      7.050043
  H      -1.016507     -5.885155      7.384219
  H      -2.381941     -7.004098      7.338869
  H      -1.669103     -6.732210      9.610111
  H      -1.800478     -4.985945      9.553577
  H      -3.884372     -6.880286     10.260750
  H      -4.032000     -5.130125     10.173779
  H      -5.713185     -6.097809      8.692369
  H      -4.517944     -7.118006      7.893346
  H      -4.701589     -4.059070      7.799043
  H      -5.032584     -5.156032      6.481142
  N      -4.602585     -2.922896      4.939475
  N      -4.859260     -1.737168      5.479208
  H      -4.703905     -1.720834      6.505386
  H      -4.358279     -0.952979      5.030275
111
Coordinates from ORCA-job /scratch/magstr/orcajob__5661762-f1oJ/orca E -5878.652431713598
  N      -3.287701     -3.929618      2.233720
  C      -3.284334     -4.981189      1.218881
  C      -2.893119     -6.301953      1.859676
  N      -3.725350     -6.509882      3.063695
  C      -5.042131     -7.097497      2.722990
  C      -6.094043     -6.540583      3.666090
  N      -6.047540     -5.083320      3.602516
  Mo     -4.153252     -4.383321      3.998798
  N      -2.863575     -5.197631      5.376233
  C      -2.087675     -6.318027      4.848500
  C      -3.001570     -7.277752      4.096449
  H      -1.552587     -6.883510      5.620560
  H      -1.301040     -5.952981      4.157379
  H      -3.741469     -7.692409      4.797036
  H      -2.444967     -8.118018      3.637143
  H      -7.075670     -6.942218      3.373862
  H      -5.904390     -6.935895      4.687383
  H      -5.293389     -6.787164      1.699241
  H      -4.986389     -8.201731      2.749866
  H      -2.585475     -4.787377      0.395038
  H      -4.286160     -5.078589      0.754208
  H      -1.843422     -6.235559      2.178837
  H      -2.989882     -7.157450      1.164328
  C       1.397696     -1.450627      2.232756
  N       0.143032     -0.777408      2.550074
  C      -0.636001     -1.464949      3.585036
  C      -1.326740     -2.756186      3.137504
  C      -2.432977     -2.706355      2.043205
  C      -1.756668     -2.611879      0.655679
  C      -2.697367     -2.346469     -0.526523
  C      -3.585335     -1.126740     -0.272860
  C      -4.311212     -1.278161      1.062953
  C      -3.310532     -1.446082      2.203163
  C     -10.335031     -5.606335      6.024473
  N      -9.018903     -6.191061      5.790665
  C      -7.911877     -5.274849      6.092920
  C      -7.766571     -4.084926      5.143586
  C      -7.333034     -4.339117      3.671452
  C      -8.461440     -5.061274      2.896425
  C      -8.144617     -5.292539      1.409702
  C      -7.370728     -4.112190      0.793982
  C      -7.694270     -2.835981      1.566576
  C      -7.155524     -2.937589      2.999722
  C      -4.064871     -1.020309      9.348982
  N      -3.528480     -1.613939      8.126499
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  C      -2.908344     -4.951264      6.853826
  C      -2.074920     -5.987643      7.643819
  C      -2.248236     -5.905440      9.165296
  C      -3.734797     -6.026280      9.589128
  C      -4.652505     -6.152433      8.370127
  C      -4.392747     -5.037070      7.356891
  H       2.024021     -1.667471      3.124891
  H       1.982949     -0.832198      1.538322
  H       1.193864     -2.408481      1.732175
  H       0.347872      0.169346      2.872235
  H       0.001447     -1.731015      4.459854
  H      -1.393343     -0.758290      3.956130
  H      -0.574775     -3.502086      2.826592
  H      -1.798745     -3.170165      4.045095
  H      -1.131791     -3.501955      0.475352
  H      -1.055024     -1.766324      0.740463
  H      -2.097996     -2.203719     -1.440437
  H      -3.347905     -3.215505     -0.713509
  H      -4.304388     -0.998834     -1.097626
  H      -2.961070     -0.215534     -0.247731
  H      -4.963808     -0.412059      1.256455
  H      -4.963143     -2.166057      1.027849
  H      -3.833390     -1.513428      3.165783
  H      -2.655381     -0.560345      2.231564
  H     -10.437078     -5.122571      7.020548
  H     -10.551516     -4.843098      5.263032
  H     -11.103965     -6.386659      5.938278
  H      -8.922503     -7.016574      6.383613
  H      -8.009789     -4.859023      7.122498
  H      -6.982668     -5.859981      6.080995
  H      -7.001991     -3.425741      5.586931
  H      -8.704551     -3.503425      5.135645
  H      -8.743996     -5.994645      3.398530
  H      -9.349210     -4.412918      2.981616
  H      -9.095867     -5.434904      0.870872
  H      -7.576532     -6.226367      1.277857
  H      -7.603351     -4.008331     -0.277154
  H      -6.287446     -4.296490      0.875435
  H      -8.787334     -2.681357      1.570873
  H      -7.262382     -1.951398      1.074104
  H      -6.082546     -2.706277      2.995512
  H      -7.631603     -2.170202      3.629198
  H      -4.763439     -1.736635      9.807175
  H      -4.628829     -0.109821      9.103493
  H      -3.292055     -0.763986     10.101696
  H      -2.966268     -0.917682      7.629188
  H      -3.263838     -3.431667      9.063862
  H      -1.774221     -2.498507      8.970069
  H      -2.587485     -2.919351      6.244955
  H      -1.197690     -3.639851      7.049388
  H      -1.009573     -5.875399      7.388791
  H      -2.365747     -7.004674      7.338578
  H      -1.657831     -6.717772      9.616023
  H      -1.809078     -4.973422      9.548917
  H      -3.875309     -6.887050     10.260497
  H      -4.037202     -5.137861     10.168374
  H      -5.707709     -6.124979      8.685139
  H      -4.500731     -7.135051      7.891871
  H      -4.708903     -4.077534      7.794425
  H      -5.031346     -5.176056      6.477289
  N      -4.603024     -2.924168      4.944352
  N      -4.857283     -1.733592      5.479718
  H      -4.711158     -1.718710      6.507813
  H      -4.347411     -0.954204      5.032564
111
Coordinates from ORCA-job /scratch/magstr/orcajob__5661762-f1oJ/orca E -5878.652501190939
  N      -3.286613     -3.928035      2.236334
  C      -3.289613     -4.980305      1.222203
  C      -2.892613     -6.300141      1.860689
  N      -3.718006     -6.509100      3.069354
  C      -5.033397     -7.103172      2.737764
  C      -6.082727     -6.543639      3.682506
  N      -6.038732     -5.087106      3.611848
  Mo     -4.148794     -4.378442      4.003760
  N      -2.856149     -5.190177      5.378516
  C      -2.076176     -6.304514      4.846304
  C      -2.986328     -7.271051      4.100537
  H      -1.529862     -6.863389      5.615551
  H      -1.298714     -5.932094      4.148879
  H      -3.720844     -7.689068      4.804892
  H      -2.426619     -8.108460      3.639816
  H      -7.065097     -6.948457      3.397349
  H      -5.886467     -6.930998      4.705702
  H      -5.290662     -6.798734      1.713676
  H      -4.975322     -8.207264      2.769995
  H      -2.598062     -4.785417      0.392322
  H      -4.295803     -5.077249      0.766989
  H      -1.841258     -6.233844      2.174368
  H      -2.992965     -7.155432      1.165522
  C       1.402724     -1.449955      2.212043
  N       0.148984     -0.778334      2.536519
  C      -0.624119     -1.467951      3.574626
  C      -1.320455     -2.757371      3.129692
  C      -2.431816     -2.706015      2.040990
  C      -1.763275     -2.612507      0.649920
  C      -2.711359     -2.348252     -0.526676
  C      -3.597410     -1.127985     -0.269083
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  C     -10.347217     -5.588648      6.017007
  N      -9.033243     -6.180708      5.789756
  C      -7.922457     -5.269704      6.093502
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  C      -7.325255     -4.343258      3.671038
  C      -8.449486     -5.067908      2.893020
  C      -8.129110     -5.298223      1.407450
  C      -7.372403     -4.108257      0.787327
  C      -7.695227     -2.837125      1.568758
  C      -7.144543     -2.943075      2.996344
  C      -4.064676     -1.014057      9.360901
  N      -3.530594     -1.611125      8.140180
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  C      -2.302415     -3.532667      7.115615
  C      -2.910483     -4.951273      6.856072
  C      -2.076227     -5.988370      7.644248
  C      -2.257219     -5.915246      9.165253
  C      -3.744833     -6.042847      9.583155
  C      -4.656688     -6.166483      8.359557
  C      -4.396072     -5.045236      7.353100
  H       2.032880     -1.668357      3.101106
  H       1.984542     -0.829313      1.516640
  H       1.197502     -2.406783      1.709931
  H       0.354622      0.168024      2.859444
  H       0.019246     -1.736194      4.444395
  H      -1.377768     -0.761222      3.953149
  H      -0.571833     -3.505250      2.815097
  H      -1.787979     -3.170071      4.040010
  H      -1.139743     -3.502917      0.466589
  H      -1.061382     -1.766678      0.729452
  H      -2.117914     -2.207256     -1.444748
  H      -3.363564     -3.217433     -0.708203
  H      -4.320749     -1.000355     -1.090178
  H      -2.972766     -0.216879     -0.247967
  H      -4.966662     -0.411686      1.267934
  H      -4.969007     -2.165524      1.039696
  H      -3.824809     -1.511425      3.171497
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  H     -10.557618     -4.827531      5.251653
  H     -11.119633     -6.365647      5.931723
  H      -8.943124     -7.005571      6.384609
  H      -8.022724     -4.849266      7.121150
  H      -6.997352     -5.861717      6.089853
  H      -7.002501     -3.424721      5.586029
  H      -8.701932     -3.499344      5.124609
  H      -8.732075     -6.001889      3.393940
  H      -9.339566     -4.422378      2.976472
  H      -9.078064     -5.458628      0.869665
  H      -7.545766     -6.223233      1.279635
  H      -7.618754     -4.001658     -0.280382
  H      -6.286741     -4.284840      0.853989
  H      -8.788804     -2.686618      1.582709
  H      -7.270634     -1.948353      1.077208
  H      -6.070129     -2.718845      2.981266
  H      -7.608056     -2.171522      3.630276
  H      -4.769722     -1.724445      9.818718
  H      -4.621324     -0.099106      9.115053
  H      -3.292065     -0.763203     10.115842
  H      -2.962084     -0.919228      7.643763
  H      -3.281292     -3.435208      9.072396
  H      -1.786546     -2.511297      8.986141
  H      -2.597997     -2.914866      6.257934
  H      -1.206926     -3.636276      7.059746
  H      -1.009615     -5.869238      7.397025
  H      -2.359822     -7.004458      7.329361
  H      -1.664791     -6.725596      9.616791
  H      -1.823837     -4.981824      9.552539
  H      -3.885220     -6.906906     10.250295
  H      -4.051976     -5.157328     10.164240
  H      -5.713763     -6.145378      8.668857
  H      -4.498560     -7.146353      7.877575
  H      -4.716346     -4.088776      7.794405
  H      -5.032877     -5.180816      6.471619
  N      -4.604095     -2.921098      4.950004
  N      -4.858212     -1.726740      5.480328
  H      -4.715931     -1.712791      6.509782
  H      -4.340362     -0.951369      5.035625
111
Coordinates from ORCA-job /scratch/magstr/orcajob__5661762-f1oJ/orca E -5878.652559062888
  N      -3.285196     -3.929096      2.239407
  C      -3.296485     -4.982592      1.226903
  C      -2.892838     -6.301139      1.864131
  N      -3.711462     -6.509420      3.077490
  C      -5.025014     -7.111234      2.753865
  C      -6.073687     -6.547097      3.697495
  N      -6.032058     -5.091442      3.618367
  Mo     -4.146663     -4.375052      4.008027
  N      -2.850215     -5.180281      5.380067
  C      -2.066547     -6.289727      4.845901
  C      -2.973281     -7.264379      4.108683
  H      -1.508263     -6.839908      5.613179
  H      -1.298469     -5.911542      4.141319
  H      -3.703221     -7.683769      4.817089
  H      -2.410780     -8.100618      3.648976
  H      -7.056868     -6.954510      3.418901
  H      -5.872291     -6.926236      4.722877
  H      -5.288127     -6.816128      1.728465
  H      -4.963560     -8.214850      2.794191
  H      -2.612164     -4.787842      0.391013
  H      -4.306891     -5.080145      0.781543
  H      -1.839494     -6.235002      2.170849
  H      -2.997767     -7.156831      1.170044
  C       1.409184     -1.462505      2.183712
  N       0.159430     -0.788978      2.519596
  C      -0.606818     -1.479283      3.562305
  C      -1.312158     -2.764920      3.120523
  C      -2.429354     -2.708708      2.039313
  C      -1.767577     -2.613730      0.644899
  C      -2.719515     -2.340088     -0.526575
  C      -3.598048     -1.116158     -0.260222
  C      -4.311768     -1.269425      1.081977
  C      -3.300781     -1.445865      2.211697
  C     -10.357864     -5.588765      6.003623
  N      -9.043933     -6.183835      5.784585
  C      -7.932417     -5.275712      6.093931
  C      -7.766269     -4.090992      5.141372
  C      -7.319818     -4.349156      3.672881
  C      -8.440091     -5.073952      2.890244
  C      -8.116055     -5.298662      1.405415
  C      -7.381537     -4.094850      0.783639
  C      -7.703449     -2.832534      1.579931
  C      -7.138156     -2.947339      3.000699
  C      -4.069500     -1.003639      9.366609
  N      -3.539095     -1.604966      8.146866
  C      -2.706268     -2.786854      8.413727
  C      -2.313353     -3.525419      7.121286
  C      -2.913067     -4.946426      6.857523
  C      -2.076601     -5.981968      7.645349
  C      -2.264960     -5.918698      9.165865
  C      -3.753268     -6.053860      9.578089
  C      -4.659202     -6.176551      8.350059
  C      -4.399718     -5.049401      7.349768
  H       2.044628     -1.685897      3.067806
  H       1.987823     -0.840446      1.486845
  H       1.198025     -2.416885      1.679194
  H       0.369224      0.156283      2.843105
  H       0.043417     -1.751896      4.425503
  H      -1.354698     -0.771130      3.949819
  H      -0.569115     -3.516242      2.800637
  H      -1.776637     -3.175603      4.032519
  H      -1.149371     -3.506624      0.455372
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  H      -2.129303     -2.198760     -1.446745
  H      -3.377322     -3.204973     -0.708824
  H      -4.323722     -0.981246     -1.078147
  H      -2.968866     -0.208171     -0.237057
  H      -4.958059     -0.400730      1.285553
  H      -4.969204     -2.153134      1.048809
  H      -3.812955     -1.512721      3.180240
  H      -2.640627     -0.563251      2.234439
  H     -10.463720     -5.097477      6.995687
  H     -10.562400     -4.828782      5.235431
  H     -11.131404     -6.364378      5.915718
  H      -8.958559     -7.009257      6.379306
  H      -8.037766     -4.853499      7.120522
  H      -7.010221     -5.872465      6.098465
  H      -7.004712     -3.432219      5.590092
  H      -8.701529     -3.504458      5.120601
  H      -8.721640     -6.010545      3.386948
  H      -9.332590     -4.431782      2.974274
  H      -9.062236     -5.478913      0.868992
  H      -7.514412     -6.212144      1.278901
  H      -7.645805     -3.981695     -0.279082
  H      -6.293187     -4.261023      0.830235
  H      -8.797531     -2.687158      1.605958
  H      -7.287734     -1.937486      1.091944
  H      -6.062906     -2.728671      2.974032
  H      -7.589782     -2.174893      3.642170
  H      -4.778402     -1.708635      9.827141
  H      -4.620836     -0.085549      9.120168
  H      -3.295030     -0.755866     10.121023
  H      -2.965698     -0.916887      7.650561
  H      -3.298147     -3.433257      9.076532
  H      -1.801073     -2.513380      8.995963
  H      -2.612271     -2.907208      6.265260
  H      -1.217355     -3.624358      7.064800
  H      -1.009267     -5.854624      7.404867
  H      -2.352480     -6.997493      7.321748
  H      -1.670998     -6.728117      9.616976
  H      -1.836498     -4.984587      9.557748
  H      -3.892553     -6.921018     10.241436
  H      -4.066037     -5.171363     10.160739
  H      -5.718021     -6.162758      8.653906
  H      -4.493489     -7.153494      7.864392
  H      -4.725300     -4.096523      7.794832
  H      -5.034365     -5.183207      6.466481
  N      -4.607098     -2.918792      4.955968
  N      -4.862235     -1.721370      5.479698
  H      -4.720416     -1.702758      6.509176
  H      -4.343831     -0.947339      5.034113
111
Coordinates from ORCA-job /scratch/magstr/orcajob__5661762-f1oJ/orca E -5878.652604622380
  N      -3.284202     -3.928678      2.241611
  C      -3.304065     -4.983357      1.230986
  C      -2.892124     -6.300165      1.867205
  N      -3.703324     -6.507723      3.085706
  C      -5.015168     -7.117784      2.770066
  C      -6.064163     -6.548834      3.711301
  N      -6.024899     -5.093608      3.623778
  Mo     -4.144056     -4.369707      4.011556
  N      -2.843318     -5.167071      5.381761
  C      -2.054679     -6.271727      4.846543
  C      -2.957781     -7.255218      4.117100
  H      -1.485039     -6.813056      5.612010
  H      -1.295131     -5.888345      4.135678
  H      -3.683201     -7.676146      4.829264
  H      -2.392150     -8.090337      3.658995
  H      -7.047863     -6.958365      3.437712
  H      -5.859367     -6.921204      4.738447
  H      -5.283512     -6.834113      1.742844
  H      -4.949279     -8.220618      2.819904
  H      -2.627889     -4.788414      0.388376
  H      -4.318797     -5.083561      0.796588
  H      -1.836728     -6.232400      2.166023
  H      -3.000899     -7.156728      1.174797
  C       1.416853     -1.474876      2.156859
  N       0.171247     -0.798829      2.502982
  C      -0.589264     -1.489155      3.549764
  C      -1.303087     -2.771303      3.111182
  C      -2.426662     -2.711284      2.036748
  C      -1.773357     -2.618913      0.638191
  C      -2.731870     -2.343888     -0.527435
  C      -3.605222     -1.117125     -0.256169
  C      -4.311142     -1.267921      1.090517
  C      -3.293805     -1.446174      2.214477
  C     -10.365455     -5.597448      5.985963
  N      -9.050085     -6.192130      5.775491
  C      -7.940146     -5.285119      6.093686
  C      -7.766359     -4.099360      5.143713
  C      -7.314001     -4.353154      3.675917
  C      -8.430108     -5.076554      2.886688
  C      -8.101249     -5.291791      1.402179
  C      -7.391672     -4.071373      0.781530
  C      -7.712625     -2.820639      1.596245
  C      -7.131607     -2.947976      3.009363
  C      -4.072744     -0.996849      9.376986
  N      -3.543353     -1.599198      8.157141
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  C      -2.318708     -3.518380      7.130429
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  C      -2.276475     -5.922423      9.167162
  C      -3.766355     -6.061154      9.571780
  C      -4.665385     -6.180506      8.338531
  C      -4.403664     -5.048057      7.344745
  H       2.057060     -1.702935      3.036310
  H       1.992885     -0.852179      1.458386
  H       1.199558     -2.427023      1.650619
  H       0.385215      0.145456      2.826549
  H       0.066719     -1.766268      4.407093
  H      -1.331530     -0.779325      3.945025
  H      -0.565409     -3.525965      2.786715
  H      -1.765223     -3.179850      4.025241
  H      -1.158807     -3.513692      0.445464
  H      -1.064656     -1.778266      0.711715
  H      -2.146920     -2.204945     -1.451346
  H      -3.393453     -3.207053     -0.705047
  H      -4.335428     -0.980467     -1.069781
  H      -2.973403     -0.210894     -0.236818
  H      -4.953889     -0.397428      1.297869
  H      -4.971162     -2.150019      1.061782
  H      -3.800361     -1.512624      3.186079
  H      -2.631906     -0.564870      2.233453
  H     -10.478181     -5.106798      6.977622
  H     -10.564609     -4.836842      5.216904
  H     -11.138347     -6.372981      5.891982
  H      -8.968321     -7.019110      6.368437
  H      -8.052893     -4.863033      7.119638
  H      -7.019505     -5.884149      6.106263
  H      -7.006261     -3.441903      5.596853
  H      -8.700930     -3.511725      5.120107
  H      -8.710413     -6.017050      3.376741
  H      -9.325128     -4.438125      2.972063
  H      -9.043555     -5.492312      0.866117
  H      -7.479986     -6.191952      1.275193
  H      -7.675948     -3.949226     -0.275037
  H      -6.300621     -4.224385      0.805320
  H      -8.806961     -2.680393      1.635040
  H      -7.305790     -1.918257      1.114077
  H      -6.055744     -2.735100      2.969895
  H      -7.570469     -2.176243      3.660333
  H      -4.786427     -1.697973      9.836060
  H      -4.617872     -0.074844      9.131219
  H      -3.297683     -0.754953     10.132910
  H      -2.963726     -0.913581      7.664542
  H      -3.313514     -3.433139      9.081300
  H      -1.813203     -2.517365      9.012661
  H      -2.617134     -2.898214      6.275849
  H      -1.222352     -3.615013      7.076241
  H      -1.011779     -5.844637      7.413579
  H      -2.352117     -6.990440      7.315527
  H      -1.684264     -6.733872      9.616899
  H      -1.850051     -4.989945      9.565577
  H      -3.907549     -6.931206     10.230913
  H      -4.083413     -5.181300     10.156130
  H      -5.726003     -6.170935      8.636273
  H      -4.494241     -7.154617      7.848889
  H      -4.733681     -4.098150      7.792708
  H      -5.034190     -5.179843      6.458146
  N      -4.609231     -2.915083      4.960732
  N      -4.866369     -1.714945      5.477530
  H      -4.729451     -1.690905      6.507285
  H      -4.347187     -0.941527      5.031529
111
Coordinates from ORCA-job /scratch/magstr/orcajob__5661762-f1oJ/orca E -5878.652640399526
  N      -3.284135     -3.929164      2.243852
  C      -3.311252     -4.984622      1.234694
  C      -2.892621     -6.300219      1.870096
  N      -3.698628     -6.507160      3.092215
  C      -5.009051     -7.123549      2.781411
  C      -6.060166     -6.550161      3.717967
  N      -6.021840     -5.094922      3.624275
  Mo     -4.144553     -4.366513      4.013681
  N      -2.840014     -5.155911      5.382643
  C      -2.047033     -6.257672      4.847899
  C      -2.947542     -7.248616      4.124520
  H      -1.468756     -6.791561      5.612248
  H      -1.293755     -5.871258      4.132145
  H      -3.670016     -7.669930      4.839470
  H      -2.379708     -8.083507      3.668665
  H      -7.043723     -6.960324      3.444779
  H      -5.856486     -6.919117      4.746447
  H      -5.278887     -6.851052      1.751663
  H      -4.939402     -8.225538      2.840685
  H      -2.642147     -4.789661      0.386439
  H      -4.329662     -5.088025      0.809932
  H      -1.835748     -6.230392      2.162832
  H      -3.003817     -7.157613      1.179188
  C       1.422166     -1.491934      2.134085
  N       0.181672     -0.812224      2.491071
  C      -0.573447     -1.502065      3.541927
  C      -1.294829     -2.780801      3.105970
  C      -2.423439     -2.715170      2.036860
  C      -1.776551     -2.624422      0.635114
  C      -2.739303     -2.344409     -0.525708
  C      -3.605469     -1.113630     -0.249024
  C      -4.305794     -1.262308      1.100786
  C      -3.284367     -1.446543      2.220371
  C     -10.368401     -5.618749      5.967578
  N      -9.049375     -6.207287      5.764111
  C      -7.944655     -5.297446      6.092371
  C      -7.767932     -4.109148      5.146080
  C      -7.311980     -4.356287      3.678207
  C      -8.425224     -5.077044      2.882768
  C      -8.092420     -5.281781      1.398205
  C      -7.406292     -4.045777      0.780043
  C      -7.724752     -2.806551      1.613046
  C      -7.129011     -2.947312      3.018749
  C      -4.079306     -0.991336      9.380866
  N      -3.550860     -1.593905      8.159950
  C      -2.722379     -2.779661      8.429214
  C      -2.321041     -3.510737      7.134831
  C      -2.915763     -4.931545      6.861228
  C      -2.082254     -5.970056      7.648219
  C      -2.281120     -5.920237      9.167808
  C      -3.771747     -6.058008      9.569845
  C      -4.668716     -6.175969      8.335149
  C      -4.406169     -5.042696      7.342290
  H       2.067720     -1.724911      3.008321
  H       1.995560     -0.869504      1.433218
  H       1.197401     -2.441841      1.626851
  H       0.400826      0.130925      2.814351
  H       0.087626     -1.783882      4.393796
  H      -1.310336     -0.790504      3.944187
  H      -0.562215     -3.538527      2.777304
  H      -1.755484     -3.188156      4.021532
  H      -1.166800     -3.521766      0.438962
  H      -1.064041     -1.786809      0.705867
  H      -2.157872     -2.207217     -1.452109
  H      -3.405806     -3.204234     -0.701278
  H      -4.338959     -0.972621     -1.058934
  H      -2.969192     -0.210504     -0.231509
  H      -4.943283     -0.388875      1.312041
  H      -4.970119     -2.141244      1.074370
  H      -3.787517     -1.514300      3.193660
  H      -2.619485     -0.567647      2.239255
  H     -10.490581     -5.132501      6.960318
  H     -10.565161     -4.855869      5.200122
  H     -11.137590     -6.396860      5.864925
  H      -8.967679     -7.036472      6.353909
  H      -8.066522     -4.876955      7.117965
  H      -7.022876     -5.894339      6.111922
  H      -7.008935     -3.453065      5.603019
  H      -8.702633     -3.521781      5.122473
  H      -8.704333     -6.021623      3.365641
  H      -9.322143     -4.441656      2.970249
  H      -9.030727     -5.499808      0.861976
  H      -7.453840     -6.169410      1.269547
  H      -7.710312     -3.914254     -0.269935
  H      -6.313200     -4.185863      0.781335
  H      -8.818922     -2.669419      1.663465
  H      -7.324521     -1.897749      1.137252
  H      -6.052567     -2.740337      2.966993
  H      -7.555359     -2.177083      3.679471
  H      -4.792979     -1.691958      9.840527
  H      -4.623403     -0.068581      9.135643
  H      -3.302900     -0.750703     10.135898
  H      -2.970146     -0.908178      7.668845
  H      -3.321440     -3.428828      9.082661
  H      -1.821576     -2.510738      9.020374
  H      -2.618893     -2.890481      6.280135
  H      -1.224415     -3.605368      7.082738
  H      -1.013803     -5.836937      7.416458
  H      -2.354216     -6.982940      7.312590
  H      -1.691305     -6.734820      9.615105
  H      -1.853031     -4.990272      9.570269
  H      -3.914606     -6.928579     10.227960
  H      -4.089413     -5.178646     10.154649
  H      -5.729829     -6.166369      8.631142
  H      -4.496981     -7.149350      7.844251
  H      -4.739294     -4.093228      7.788973
  H      -5.033840     -5.176827      6.453899
  N      -4.612331     -2.913602      4.964073
  N      -4.871621     -1.711404      5.474407
  H      -4.739164     -1.684016      6.503805
  H      -4.348173     -0.940402      5.029192
111
Coordinates from ORCA-job /scratch/magstr/orcajob__5661762-f1oJ/orca E -5878.652666365726
  N      -3.286044     -3.927566      2.244912
  C      -3.314624     -4.981952      1.234961
  C      -2.894034     -6.297843      1.869086
  N      -3.699506     -6.505722      3.091476
  C      -5.009739     -7.122742      2.779510
  C      -6.063097     -6.549715      3.713309
  N      -6.024331     -5.094152      3.619885
  Mo     -4.147406     -4.366610      4.013798
  N      -2.840611     -5.153492      5.381359
  C      -2.046931     -6.255793      4.847124
  C      -2.947718     -7.247192      4.123617
  H      -1.468453     -6.789677      5.611125
  H      -1.293573     -5.869658      4.131340
  H      -3.670459     -7.668098      4.838526
  H      -2.380219     -8.082413      3.668085
  H      -7.045636     -6.959212      3.435556
  H      -5.863970     -6.920988      4.741778
  H      -5.276937     -6.852425      1.748501
  H      -4.939135     -8.224507      2.840750
  H      -2.647816     -4.786050      0.385203
  H      -4.334136     -5.086878      0.813145
  H      -1.837021     -6.226563      2.160909
  H      -3.004737     -7.155171      1.178113
  C       1.423524     -1.499953      2.133671
  N       0.185334     -0.818130      2.494373
  C      -0.569308     -1.508156      3.545352
  C      -1.292775     -2.785277      3.108275
  C      -2.422365     -2.715777      2.039764
  C      -1.776859     -2.625345      0.637291
  C      -2.740543     -2.343263     -0.522201
  C      -3.603999     -1.111000     -0.243806
  C      -4.302731     -1.258447      1.106890
  C      -3.280324     -1.445426      2.225252
  C     -10.365086     -5.629106      5.965293
  N      -9.043286     -6.211184      5.762295
  C      -7.943052     -5.296395      6.091613
  C      -7.769354     -4.108592      5.144119
  C      -7.314663     -4.356209      3.676241
  C      -8.428718     -5.077179      2.881727
  C      -8.096049     -5.283214      1.397415
  C      -7.413285     -4.046390      0.776990
  C      -7.728796     -2.806827      1.610692
  C      -7.131151     -2.947831      3.015707
  C      -4.085107     -0.996989      9.380524
  N      -3.553848     -1.595452      8.158059
  C      -2.718010     -2.776954      8.427841
  C      -2.316143     -3.509145      7.133937
  C      -2.913965     -4.928682      6.860691
  C      -2.081918     -5.968778      7.647020
  C      -2.277079     -5.916087      9.167047
  C      -3.767438     -6.048130      9.572167
  C      -4.667653     -6.166337      8.339990
  C      -4.404512     -5.037046      7.342558
  H       2.070823     -1.735329      3.005954
  H       1.996511     -0.878069      1.432028
  H       1.195410     -2.448817      1.626049
  H       0.407030      0.124154      2.818344
  H       0.092438     -1.792699      4.395842
  H      -1.304472     -0.796049      3.949709
  H      -0.561536     -3.543510      2.777901
  H      -1.753536     -3.193827      4.023604
  H      -1.168710     -3.523562      0.440214
  H      -1.063022     -1.788898      0.707726
  H      -2.159868     -2.206398     -1.449108
  H      -3.408731     -3.201739     -0.697654
  H      -4.338594     -0.968258     -1.052382
  H      -2.965799     -0.209250     -0.226993
  H      -4.937964     -0.383648      1.319107
  H      -4.968756     -2.136172      1.081543
  H      -3.783336     -1.514714      3.198433
  H      -2.614336     -0.567612      2.245561
  H     -10.491720     -5.146543      6.959279
  H     -10.564040     -4.864801      5.199862
  H     -11.130758     -6.410190      5.858951
  H      -8.957849     -7.040479      6.351427
  H      -8.068687     -4.874896      7.116285
  H      -7.018546     -5.888801      6.113424
  H      -7.009872     -3.452156      5.599851
  H      -8.704520     -3.522129      5.121421
  H      -8.707917     -6.021368      3.365265
  H      -9.325226     -4.441202      2.968565
  H      -9.033798     -5.504184      0.861467
  H      -7.455734     -6.169654      1.269986
  H      -7.722406     -3.914699     -0.271507
  H      -6.319914     -4.184823      0.772759
  H      -8.822493     -2.666881      1.661924
  H      -7.326663     -1.899252      1.134109
  H      -6.054340     -2.743366      2.960974
  H      -7.554362     -2.176332      3.676780
  H      -4.795350     -1.702025      9.838500
  H      -4.633241     -0.076372      9.136468
  H      -3.309430     -0.754398     10.135492
  H      -2.976577     -0.905656      7.668596
  H      -3.314463     -3.427696      9.081915
  H      -1.818486     -2.502094      9.017591
  H      -2.611747     -2.888834      6.278399
  H      -1.219555     -3.604725      7.083683
  H      -1.013807     -5.839251      7.412257
  H      -2.358291     -6.981266      7.313809
  H      -1.689707     -6.733486      9.612520
  H      -1.844312     -4.988255      9.569138
  H      -3.911750     -6.916677     10.232652
  H      -4.081342     -5.166812     10.156064
  H      -5.727859     -6.151694      8.638993
  H      -4.501067     -7.141501      7.851082
  H      -4.737320     -4.085257      7.784453
  H      -5.031684     -5.175877      6.454486
  N      -4.613689     -2.914855      4.965796
  N      -4.874019     -1.712738      5.475423
  H      -4.741134     -1.682815      6.504453
  H      -4.355521     -0.940252      5.026560
111
Coordinates from ORCA-job /scratch/magstr/orcajob__5661762-f1oJ/orca E -5878.652683812370
  N      -3.290237     -3.926059      2.244262
  C      -3.319813     -4.980765      1.234637
  C      -2.897151     -6.296534      1.868088
  N      -3.701679     -6.505485      3.091003
  C      -5.012125     -7.122939      2.780304
  C      -6.066227     -6.549194      3.712499
  N      -6.027313     -5.093577      3.617145
  Mo     -4.150798     -4.365972      4.013407
  N      -2.843647     -5.152767      5.381020
  C      -2.047966     -6.253871      4.846395
  C      -2.947949     -7.246093      4.122423
  H      -1.469239     -6.787981      5.609893
  H      -1.294897     -5.866914      4.130743
  H      -3.669861     -7.667952      4.837622
  H      -2.379831     -8.080442      3.666297
  H      -7.048082     -6.958874      3.432458
  H      -5.869993     -6.920188      4.741585
  H      -5.277662     -6.855055      1.748241
  H      -4.941184     -8.224599      2.844250
  H      -2.656410     -4.784450      0.382457
  H      -4.340961     -5.087172      0.817015
  H      -1.840208     -6.222963      2.159711
  H      -3.006406     -7.154203      1.177350
  C       1.424824     -1.510866      2.135391
  N       0.188954     -0.826235      2.498375
  C      -0.566587     -1.515767      3.548996
  C      -1.292441     -2.791047      3.110351
  C      -2.422093     -2.716776      2.041754
  C      -1.776965     -2.625964      0.639120
  C      -2.740655     -2.339603     -0.519309
  C      -3.600146     -1.105193     -0.238648
  C      -4.298432     -1.251952      1.112248
  C      -3.276155     -1.444226      2.229713
  C     -10.363232     -5.644578      5.960816
  N      -9.038332     -6.219303      5.757979
  C      -7.943574     -5.298859      6.089294
  C      -7.773321     -4.110298      5.141943
  C      -7.317866     -4.356205      3.674425
  C      -8.431110     -5.077144      2.878573
  C      -8.096568     -5.282234      1.394737
  C      -7.419515     -4.042395      0.774166
  C      -7.733843     -2.804550      1.611133
  C      -7.133168     -2.947787      3.014548
  C      -4.087323     -0.998529      9.378003
  N      -3.558343     -1.597098      8.154286
  C      -2.713736     -2.772603      8.424334
  C      -2.312489     -3.507645      7.131757
  C      -2.912905     -4.926440      6.860511
  C      -2.081020     -5.967461      7.645712
  C      -2.271499     -5.910946      9.166288
  C      -3.761053     -6.037970      9.575911
  C      -4.665580     -6.156943      8.347120
  C      -4.402747     -5.031888      7.344602
  H       2.073048     -1.748448      3.006364
  H       1.998244     -0.890089      1.433169
  H       1.193506     -2.458829      1.627625
  H       0.413654      0.115032      2.823174
  H       0.094948     -1.802826      4.398853
  H      -1.299963     -0.802635      3.954653
  H      -0.562526     -3.549867      2.778511
  H      -1.752636     -3.200863      4.025860
  H      -1.171163     -3.525437      0.440763
  H      -1.060987     -1.791467      0.710282
  H      -2.160257     -2.202911     -1.446386
  H      -3.411288     -3.195899     -0.695657
  H      -4.335075     -0.959039     -1.046272
  H      -2.958958     -0.205596     -0.221393
  H      -4.930471     -0.375229      1.325813
  H      -4.967250     -2.127310      1.086342
  H      -3.779494     -1.514841      3.202600
  H      -2.607777     -0.568406      2.252330
  H     -10.494520     -5.166773      6.956477
  H     -10.564649     -4.878236      5.198132
  H     -11.124914     -6.428938      5.849963
  H      -8.949011     -7.048796      6.346268
  H      -8.073781     -4.877628      7.113439
  H      -7.015553     -5.885669      6.113082
  H      -7.014701     -3.453389      5.598336
  H      -8.709375     -3.525322      5.119570
  H      -8.710317     -6.021752      3.361155
  H      -9.327813     -4.441331      2.964489
  H      -9.032274     -5.508933      0.857724
  H      -7.451449     -6.165382      1.268966
  H      -7.734040     -3.908962     -0.272471
  H      -6.325842     -4.177911      0.764075
  H      -8.827284     -2.663855      1.664091
  H      -7.331583     -1.896447      1.135567
  H      -6.055727     -2.747173      2.955586
  H      -7.550951     -2.174948      3.677439
  H      -4.791061     -1.707030      9.840481
  H      -4.642133     -0.081983      9.133980
  H      -3.309593     -0.749584     10.128567
  H      -2.988171     -0.904719      7.660231
  H      -3.305154     -3.424373      9.081928
  H      -1.814393     -2.489994      9.010250
  H      -2.606449     -2.887902      6.275005
  H      -1.216010     -3.604441      7.082291
  H      -1.013330     -5.840647      7.407933
  H      -2.360326     -6.979992      7.315141
  H      -1.685134     -6.729654      9.610739
  H      -1.835215     -4.984087      9.566442
  H      -3.905851     -6.904207     10.239322
  H      -4.070933     -5.154505     10.158663
  H      -5.724580     -6.137536      8.650065
  H      -4.504337     -7.134128      7.860652
  H      -4.734227     -4.077425      7.781762
  H      -5.030736     -5.175091      6.457711
  N      -4.616854     -2.915541      4.966332
  N      -4.878020     -1.712911      5.474901
  H      -4.746426     -1.683865      6.503956
  H      -4.357217     -0.942142      5.026080
111
Coordinates from ORCA-job /scratch/magstr/orcajob__5661762-f1oJ/orca E -5878.652695253641
  N      -3.293953     -3.924597      2.244852
  C      -3.323652     -4.978944      1.234910
  C      -2.899142     -6.294550      1.867549
  N      -3.703386     -6.505088      3.090323
  C      -5.013494     -7.123021      2.779228
  C      -6.068777     -6.549391      3.709525
  N      -6.030302     -5.093887      3.613478
  Mo     -4.154130     -4.366155      4.013832
  N      -2.845793     -5.152399      5.380560
  C      -2.049461     -6.253188      4.845699
  C      -2.948930     -7.245353      4.121080
  H      -1.471754     -6.788310      5.609147
  H      -1.295845     -5.865965      4.130741
  H      -3.670312     -7.667952      4.836402
  H      -2.380366     -8.078973      3.664249
  H      -7.049698     -6.959892      3.427224
  H      -5.875094     -6.919946      4.739228
  H      -5.277168     -6.855972      1.746497
  H      -4.942544     -8.224659      2.844408
  H      -2.662608     -4.781721      0.381166
  H      -4.345897     -5.085795      0.820060
  H      -1.842499     -6.219060      2.159839
  H      -3.006602     -7.152340      1.176690
  C       1.427282     -1.521758      2.136988
  N       0.193562     -0.834447      2.502020
  C      -0.563045     -1.523744      3.552041
  C      -1.291921     -2.796740      3.111771
  C      -2.422146     -2.717778      2.044114
  C      -1.778141     -2.626199      0.641110
  C      -2.742556     -2.335863     -0.515791
  C      -3.599208     -1.100253     -0.232252
  C      -4.296431     -1.247631      1.119118
  C      -3.273313     -1.443783      2.234986
  C     -10.361938     -5.655253      5.956303
  N      -9.034643     -6.224800      5.754641
  C      -7.944314     -5.299601      6.086787
  C      -7.776741     -4.111122      5.138782
  C      -7.320832     -4.356721      3.671536
  C      -8.433841     -5.077650      2.875340
  C      -8.098838     -5.281888      1.391519
  C      -7.423522     -4.041040      0.770993
  C      -7.736754     -2.803787      1.609296
  C      -7.135388     -2.948292      3.012109
  C      -4.089638     -0.999936      9.376957
  N      -3.561279     -1.596963      8.152320
  C      -2.710704     -2.768334      8.420820
  C      -2.310727     -3.504712      7.128761
  C      -2.911648     -4.923677      6.859943
  C      -2.078689     -5.964030      7.644819
  C      -2.265370     -5.904996      9.165832
  C      -3.753945     -6.030103      9.579299
  C      -4.661779     -6.150215      8.353075
  C      -4.400334     -5.027540      7.347447
  H       2.075935     -1.761950      3.006923
  H       2.001500     -0.901680      1.434818
  H       1.193109     -2.468579      1.628453
  H       0.421265      0.105587      2.828306
  H       0.098391     -1.813399      4.401119
  H      -1.294374     -0.809473      3.959302
  H      -0.563510     -3.556085      2.777773
  H      -1.751242     -3.207980      4.027173
  H      -1.174413     -3.526633      0.440888
  H      -1.060362     -1.793303      0.712765
  H      -2.162942     -2.198709     -1.443275
  H      -3.415055     -3.190503     -0.692960
  H      -4.334713     -0.951169     -1.038794
  H      -2.956001     -0.202124     -0.214384
  H      -4.926533     -0.369976      1.334467
  H      -4.966874     -2.121782      1.092855
  H      -3.775803     -1.515239      3.208245
  H      -2.603032     -0.569470      2.258475
  H     -10.496907     -5.180271      6.952814
  H     -10.564564     -4.887893      5.195011
  H     -11.120680     -6.442007      5.842222
  H      -8.942700     -7.053704      6.343391
  H      -8.077982     -4.877979      7.110305
  H      -7.013488     -5.881835      6.112303
  H      -7.019089     -3.453275      5.595460
  H      -8.713580     -3.527382      5.116115
  H      -8.712387     -6.022666      3.357476
  H      -9.330748     -4.442120      2.961322
  H      -9.033703     -5.510724      0.854028
  H      -7.451926     -6.163831      1.266318
  H      -7.740363     -3.906459     -0.274765
  H      -6.329842     -4.176151      0.758482
  H      -8.830034     -2.662319      1.662742
  H      -7.333962     -1.895629      1.134232
  H      -6.057559     -2.749528      2.951965
  H      -7.550890     -2.174909      3.675825
  H      -4.789000     -1.711469      9.841361
  H      -4.649331     -0.086209      9.133682
  H      -3.311202     -0.747027     10.125323
  H      -2.995991     -0.902185      7.655956
  H      -3.296903     -3.421230      9.081936
  H      -1.810562     -2.480321      9.002779
  H      -2.604485     -2.885370      6.271490
  H      -1.214327     -3.602160      7.078967
  H      -1.011374     -5.838283      7.404718
  H      -2.358884     -6.977047      7.316723
  H      -1.678494     -6.723568      9.609845
  H      -1.827629     -4.977980      9.563903
  H      -3.897922     -6.894858     10.244798
  H      -4.061528     -5.145352     10.161302
  H      -5.719851     -6.128643      8.659076
  H      -4.503373     -7.128617      7.868245
  H      -4.730233     -4.071655      7.782644
  H      -5.030239     -5.172509      6.462277
  N      -4.620291     -2.916973      4.967934
  N      -4.882225     -1.714176      5.476094
  H      -4.749435     -1.684660      6.505178
  H      -4.364355     -0.942954      5.024888
111
Coordinates from ORCA-job /scratch/magstr/orcajob__5661762-f1oJ/orca E -5878.652711047635
  N      -3.301462     -3.921638      2.244834
  C      -3.331952     -4.976537      1.235377
  C      -2.902405     -6.290971      1.867015
  N      -3.705195     -6.504064      3.090215
  C      -5.014645     -7.123755      2.779779
  C      -6.071550     -6.549427      3.707397
  N      -6.034449     -5.094198      3.608721
  Mo     -4.159189     -4.364972      4.014589
  N      -2.850082     -5.151065      5.380942
  C      -2.051473     -6.250147      4.845905
  C      -2.948928     -7.242842      4.120016
  H      -1.475521     -6.786508      5.609777
  H      -1.296786     -5.861716      4.132674
  H      -3.668948     -7.667515      4.835493
  H      -2.378503     -8.074669      3.662232
  H      -7.051276     -6.962006      3.423643
  H      -5.880176     -6.917404      4.738459
  H      -5.276967     -6.858979      1.746137
  H      -4.943346     -8.225237      2.847627
  H      -2.676056     -4.777909      0.378048
  H      -4.356443     -5.084894      0.826557
  H      -1.846055     -6.211493      2.159442
  H      -3.006779     -7.149352      1.176364
  C       1.432484     -1.543021      2.136702
  N       0.203112     -0.850412      2.506190
  C      -0.555237     -1.539257      3.555364
  C      -1.290724     -2.807467      3.112142
  C      -2.422441     -2.719636      2.046986
  C      -1.781022     -2.626623      0.643082
  C      -2.747028     -2.328545     -0.510568
  C      -3.597831     -1.090328     -0.221189
  C      -4.292634     -1.238960      1.131313
  C      -3.267518     -1.442526      2.243873
  C     -10.357904     -5.677873      5.946288
  N      -9.025415     -6.236824      5.748799
  C      -7.944340     -5.301855      6.083054
  C      -7.782395     -4.113202      5.134197
  C      -7.324956     -4.357522      3.667307
  C      -8.437031     -5.078450      2.869928
  C      -8.100989     -5.280157      1.386108
  C      -7.430617     -4.036121      0.766165
  C      -7.742915     -2.801147      1.608280
  C      -7.138696     -2.948591      3.009231
  C      -4.090965     -0.997335      9.375283
  N      -3.565516     -1.594038      8.149563
  C      -2.707068     -2.759695      8.415702
  C      -2.309728     -3.498559      7.124490
  C      -2.911268     -4.918094      6.859762
  C      -2.076383     -5.957138      7.644348
  C      -2.259015     -5.896564      9.165854
  C      -3.746400     -6.021090      9.583470
  C      -4.657633     -6.141921      8.359732
  C      -4.398347     -5.020462      7.352247
  H       2.081911     -1.788749      3.004518
  H       2.008292     -0.924081      1.434837
  H       1.192506     -2.487354      1.626289
  H       0.436760      0.087126      2.835492
  H       0.106213     -1.834139      4.402644
  H      -1.282326     -0.822630      3.966046
  H      -0.565580     -3.568068      2.773681
  H      -1.748488     -3.220858      4.027599
  H      -1.181638     -3.529024      0.438898
  H      -1.059530     -1.797006      0.715438
  H      -2.169161     -2.190825     -1.439049
  H      -3.423455     -3.179905     -0.688920
  H      -4.334469     -0.935423     -1.025581
  H      -2.950650     -0.195098     -0.202044
  H      -4.918993     -0.359584      1.350459
  H      -4.966202     -2.110723      1.104298
  H      -3.767577     -1.514891      3.218315
  H      -2.593251     -0.571283      2.268186
  H     -10.500862     -5.206966      6.943610
  H     -10.562603     -4.909778      5.186374
  H     -11.110291     -6.469868      5.826428
  H      -8.928509     -7.064095      6.339105
  H      -8.085005     -4.879911      7.105494
  H      -7.008098     -5.875199      6.112063
  H      -7.027739     -3.452559      5.591694
  H      -8.721369     -3.532874      5.110641
  H      -8.713833     -6.024687      3.350645
  H      -9.334759     -4.444154      2.956494
  H      -9.034226     -5.514024      0.848056
  H      -7.449481     -6.158854      1.261493
  H      -7.752106     -3.899072     -0.277811
  H      -6.336798     -4.169382      0.748774
  H      -8.836139     -2.660356      1.664080
  H      -7.341424     -1.891649      1.134551
  H      -6.060408     -2.752635      2.946050
  H      -7.549766     -2.174777      3.675207
  H      -4.784046     -1.711750      9.844625
  H      -4.657259     -0.087512      9.132788
  H      -3.310374     -0.738291     10.119225
  H      -3.007341     -0.897157      7.648150
  H      -3.284584     -3.413704      9.083230
  H      -1.804838     -2.464013      8.990736
  H      -2.603223     -2.880045      6.266410
  H      -1.213457     -3.597389      7.073920
  H      -1.009440     -5.831758      7.402102
  H      -2.356518     -6.970835      7.318520
  H      -1.670763     -6.714445      9.609251
  H      -1.820522     -4.968980      9.561733
  H      -3.888838     -6.884914     10.250470
  H      -4.052135     -5.135579     10.165311
  H      -5.714769     -6.119329      8.668894
  H      -4.501228     -7.121024      7.875735
  H      -4.725793     -4.063704      7.787192
  H      -5.031369     -5.165508      6.469383
  N      -4.627237     -2.917940      4.970154
  N      -4.890757     -1.714793      5.477031
  H      -4.757197     -1.684499      6.506135
  H      -4.375590     -0.943174      5.023892
111
Coordinates from ORCA-job /scratch/magstr/orcajob__5661762-f1oJ/orca E -5878.652726347220
  N      -3.310094     -3.918083      2.245359
  C      -3.341576     -4.973596      1.236439
  C      -2.905481     -6.286365      1.866926
  N      -3.706913     -6.502452      3.090392
  C      -5.015310     -7.124391      2.779584
  C      -6.074586     -6.549618      3.704075
  N      -6.039416     -5.094655      3.602857
  Mo     -4.165183     -4.363565      4.015677
  N      -2.855125     -5.148993      5.381670
  C      -2.054127     -6.246479      4.846974
  C      -2.949321     -7.239796      4.119588
  H      -1.480354     -6.783885      5.611766
  H      -1.297798     -5.856988      4.135991
  H      -3.668241     -7.666631      4.834881
  H      -2.376655     -8.069900      3.661372
  H      -7.053046     -6.964563      3.419177
  H      -5.885084     -6.914980      4.736429
  H      -5.276646     -6.861765      1.745145
  H      -4.943269     -8.225636      2.849718
  H      -2.691342     -4.773003      0.375246
  H      -4.368316     -5.084173      0.834195
  H      -1.849379     -6.202404      2.159099
  H      -3.006473     -7.145343      1.176441
  C       1.438395     -1.568503      2.133459
  N       0.214674     -0.869712      2.510025
  C      -0.544712     -1.558651      3.558540
  C      -1.288646     -2.820703      3.111917
  C      -2.422727     -2.721912      2.050596
  C      -1.785161     -2.627225      0.645217
  C      -2.753359     -2.319388     -0.504032
  C      -3.596394     -1.077657     -0.207042
  C      -4.287754     -1.227915      1.147077
  C      -3.259762     -1.440651      2.255244
  C     -10.352697     -5.706818      5.934050
  N      -9.013987     -6.252806      5.741463
  C      -7.943849     -5.306532      6.078687
  C      -7.789355     -4.117057      5.129602
  C      -7.330022     -4.358905      3.662765
  C      -8.441193     -5.079229      2.863616
  C      -8.104031     -5.277696      1.379690
  C      -7.436719     -4.030861      0.761562
  C      -7.748776     -2.798252      1.607319
  C      -7.143463     -2.948847      3.007250
  C      -4.090683     -0.991558      9.372331
  N      -3.567529     -1.587939      8.145782
  C      -2.702786     -2.749006      8.409868
  C      -2.308969     -3.490588      7.119272
  C      -2.911475     -4.910700      6.859796
  C      -2.074634     -5.948047      7.644759
  C      -2.253606     -5.886484      9.166669
  C      -3.739960     -6.011134      9.587766
  C      -4.653750     -6.132629      8.365821
  C      -4.396731     -5.011023      7.358206
  H       2.089191     -1.822042      2.998009
  H       2.015755     -0.950253      1.432249
  H       1.190791     -2.509153      1.619902
  H       0.455644      0.064566      2.843358
  H       0.117452     -1.860384      4.402834
  H      -1.266372     -0.839421      3.974302
  H      -0.567948     -3.583073      2.767700
  H      -1.745122     -3.236365      4.027080
  H      -1.191567     -3.532205      0.435667
  H      -1.058776     -1.801948      0.718201
  H      -2.177899     -2.181268     -1.433948
  H      -3.435069     -3.166411     -0.683482
  H      -4.334501     -0.915264     -1.008606
  H      -2.944111     -0.186182     -0.186186
  H      -4.909483     -0.346539      1.371326
  H      -4.965098     -2.096715      1.119214
  H      -3.756104     -1.513730      3.231516
  H      -2.580397     -0.573371      2.279931
  H     -10.505025     -5.240579      6.932170
  H     -10.560160     -4.938132      5.175556
  H     -11.097177     -6.505235      5.807608
  H      -8.911049     -7.078354      6.333189
  H      -8.092149     -4.885231      7.100321
  H      -7.001544     -5.869706      6.110946
  H      -7.038922     -3.452332      5.588016
  H      -8.731473     -3.541808      5.105404
  H      -8.716155     -6.027020      3.342340
  H      -9.339781     -4.446310      2.951190
  H      -9.036098     -5.514370      0.840891
  H      -7.449374     -6.154051      1.254758
  H      -7.760906     -3.891145     -0.281210
  H      -6.342856     -4.163116      0.741267
  H      -8.842079     -2.658508      1.664485
  H      -7.348533     -1.887208      1.135407
  H      -6.064969     -2.753949      2.943427
  H      -7.552720     -2.175873      3.675327
  H      -4.779116     -1.707783      9.845720
  H      -4.661794     -0.084529      9.130665
  H      -3.308350     -0.728005     10.112907
  H      -3.014795     -0.889589      7.640464
  H      -3.271963     -3.403484      9.083994
  H      -1.797936     -2.447041      8.977761
  H      -2.602897     -2.873311      6.260432
  H      -1.212875     -3.591059      7.067235
  H      -1.008084     -5.823251      7.400222
  H      -2.355084     -6.962399      7.321308
  H      -1.663964     -6.703615      9.609538
  H      -1.814412     -4.958325      9.560478
  H      -3.880748     -6.874519     10.255653
  H      -4.044554     -5.125168     10.169577
  H      -5.710232     -6.110415      8.677246
  H      -4.497806     -7.111806      7.881833
  H      -4.720571     -4.054201      7.795593
  H      -5.033782     -5.153449      6.477922
  N      -4.636135     -2.918621      4.972470
  N      -4.901563     -1.715407      5.477787
  H      -4.765790     -1.683356      6.506533
  H      -4.390505     -0.942702      5.022108
111
Coordinates from ORCA-job /scratch/magstr/orcajob__5661762-f1oJ/orca E -5878.652744582966
  N      -3.322463     -3.911948      2.246453
  C      -3.356556     -4.968900      1.238856
  C      -2.909550     -6.278850      1.867524
  N      -3.708160     -6.499080      3.092042
  C      -5.014907     -7.125118      2.781687
  C      -6.077341     -6.549216      3.702101
  N      -6.045229     -5.094591      3.595767
  Mo     -4.172914     -4.359838      4.017887
  N      -2.861462     -5.143905      5.383474
  C      -2.056325     -6.238719      4.849527
  C      -2.947919     -7.233861      4.120481
  H      -1.484437     -6.776332      5.615653
  H      -1.298289     -5.847372      4.141301
  H      -3.665052     -7.663998      4.835558
  H      -2.371669     -8.061501      3.662158
  H      -7.054403     -6.967552      3.417233
  H      -5.888939     -6.910181      4.736218
  H      -5.276256     -6.866728      1.746186
  H      -4.940972     -8.225867      2.855720
  H      -2.715799     -4.765341      0.371247
  H      -4.386800     -5.083938      0.847644
  H      -1.853438     -6.188249      2.157773
  H      -3.006398     -7.138735      1.177458
  C       1.447289     -1.608245      2.120628
  N       0.233595     -0.899968      2.511830
  C      -0.525080     -1.589731      3.560526
  C      -1.283256     -2.841603      3.109456
  C      -2.422539     -2.725011      2.055765
  C      -1.793281     -2.627079      0.647031
  C      -2.766876     -2.304075     -0.493385
  C      -3.596916     -1.056817     -0.182865
  C      -4.280433     -1.209737      1.174974
  C      -3.246045     -1.437189      2.274348
  C     -10.344573     -5.747862      5.915535
  N      -8.996907     -6.274633      5.730655
  C      -7.942768     -5.312311      6.072544
  C      -7.799207     -4.121979      5.122933
  C      -7.336318     -4.360767      3.656426
  C      -8.445423     -5.081377      2.854600
  C      -8.105408     -5.276645      1.371009
  C      -7.442833     -4.025893      0.754861
  C      -7.756305     -2.796144      1.604346
  C      -7.150311     -2.949333      3.003528
  C      -4.091578     -0.981860      9.369426
  N      -3.571226     -1.578066      8.141867
  C      -2.698332     -2.733226      8.403907
  C      -2.309323     -3.477785      7.113559
  C      -2.912449     -4.899011      6.860665
  C      -2.072777     -5.933846      7.646289
  C      -2.249414     -5.872762      9.168475
  C      -3.735065     -6.000044      9.591549
  C      -4.649931     -6.122349      8.370246
  C      -4.395791     -4.998198      7.365246
  H       2.101770     -1.875447      2.978263
  H       2.025815     -0.990386      1.420021
  H       1.186154     -2.542179      1.601525
  H       0.486702      0.028870      2.851374
  H       0.139848     -1.903169      4.398333
  H      -1.237283     -0.866854      3.986277
  H      -0.570659     -3.607282      2.755458
  H      -1.737836     -3.260266      4.024414
  H      -1.208984     -3.535780      0.427692
  H      -1.059381     -1.808499      0.720006
  H      -2.196901     -2.165453     -1.426608
  H      -3.457312     -3.144166     -0.673032
  H      -4.338623     -0.882528     -0.978593
  H      -2.936512     -0.171384     -0.160300
  H      -4.894304     -0.325283      1.408645
  H      -4.963889     -2.073755      1.146806
  H      -3.734708     -1.511605      3.254367
  H      -2.558623     -0.576321      2.298546
  H     -10.510787     -5.287891      6.914337
  H     -10.556323     -4.979019      5.158466
  H     -11.077043     -6.555857      5.780063
  H      -8.885196     -7.097630      6.324395
  H      -8.102173     -4.892118      7.092959
  H      -6.992261     -5.861260      6.109818
  H      -7.055606     -3.450356      5.582335
  H      -8.746363     -3.555093      5.097128
  H      -8.717945     -6.031045      3.331116
  H      -9.345566     -4.450752      2.942242
  H      -9.035540     -5.517777      0.830857
  H      -7.446028     -6.149551      1.246660
  H      -7.769754     -3.883961     -0.286757
  H      -6.348741     -4.155596      0.731623
  H      -8.849893     -2.658885      1.662654
  H      -7.358514     -1.882942      1.134391
  H      -6.071844     -2.754276      2.939673
  H      -7.559056     -2.177711      3.673482
  H      -4.774323     -1.700020      9.848081
  H      -4.668360     -0.078124      9.128789
  H      -3.307069     -0.712769     10.105851
  H      -3.025113     -0.878087      7.631795
  H      -3.257140     -3.388301      9.085976
  H      -1.790292     -2.423810      8.962963
  H      -2.605481     -2.862376      6.254180
  H      -1.213402     -3.579108      7.058592
  H      -1.006687     -5.808526      7.399912
  H      -2.352631     -6.948905      7.324376
  H      -1.657719     -6.688750      9.610647
  H      -1.810781     -4.943843      9.561246
  H      -3.873531     -6.863999     10.259153
  H      -4.040436     -5.114579     10.173783
  H      -5.706224     -6.103201      8.682532
  H      -4.491724     -7.100450      7.884788
  H      -4.715684     -4.042772      7.808400
  H      -5.037387     -5.135033      6.487438
  N      -4.649360     -2.917828      4.976057
  N      -4.917571     -1.714380      5.478438
  H      -4.780143     -1.678825      6.506603
  H      -4.411755     -0.940149      5.019726
111
Coordinates from ORCA-job /scratch/magstr/orcajob__5661762-f1oJ/orca E -5878.652767400435
  N      -3.340275     -3.902415      2.248360
  C      -3.377096     -4.961077      1.242403
  C      -2.914314     -6.266917      1.868326
  N      -3.709989     -6.493548      3.093584
  C      -5.013843     -7.125726      2.782266
  C      -6.081443     -6.549625      3.696954
  N      -6.053951     -5.095237      3.585135
  Mo     -4.184919     -4.354824      4.020655
  N      -2.872050     -5.136749      5.386003
  C      -2.060549     -6.227527      4.853110
  C      -2.946667     -7.225401      4.121325
  H      -1.490212     -6.764534      5.620838
  H      -1.300671     -5.833263      4.148353
  H      -3.662060     -7.660244      4.835262
  H      -2.365289     -8.049592      3.663172
  H      -7.056540     -6.972048      3.411496
  H      -5.894533     -6.906245      4.732833
  H      -5.274842     -6.872949      1.745322
  H      -4.936234     -8.225746      2.860929
  H      -2.749546     -4.752545      0.366304
  H      -4.411596     -5.083833      0.866147
  H      -1.858377     -6.166805      2.156272
  H      -3.004951     -7.127766      1.178474
  C       1.458196     -1.668692      2.098222
  N       0.261267     -0.946271      2.514714
  C      -0.495208     -1.638201      3.563728
  C      -1.275405     -2.873856      3.106089
  C      -2.422128     -2.729288      2.064084
  C      -1.805541     -2.625559      0.650284
  C      -2.787254     -2.278892     -0.475948
  C      -3.596020     -1.022912     -0.144511
  C      -4.267398     -1.179681      1.218943
  C      -3.223746     -1.431406      2.304432
  C     -10.332291     -5.810873      5.890664
  N      -8.972770     -6.309534      5.713618
  C      -7.940950     -5.325900      6.063026
  C      -7.814421     -4.133113      5.114320
  C      -7.346493     -4.365277      3.647856
  C      -8.452474     -5.085327      2.840907
  C      -8.108209     -5.274729      1.357581
  C      -7.447944     -4.019764      0.746789
  C      -7.764505     -2.793735      1.600554
  C      -7.162273     -2.950938      3.000903
  C      -4.091912     -0.965157      9.361358
  N      -3.574899     -1.562064      8.132822
  C      -2.691290     -2.709372      8.393681
  C      -2.309664     -3.459573      7.104225
  C      -2.914788     -4.881893      6.862017
  C      -2.071648     -5.913361      7.649109
  C      -2.244049     -5.850771      9.171654
  C      -3.728663     -5.978924      9.598483
  C      -4.645795     -6.103595      8.378936
  C      -4.395231     -4.977549      7.375749
  H       2.118797     -1.959009      2.943575
  H       2.038068     -1.050548      1.398971
  H       1.174870     -2.590680      1.569461
  H       0.533538     -0.026473      2.863942
  H       0.174447     -1.970541      4.390399
  H      -1.192498     -0.910633      4.005938
  H      -0.576216     -3.645402      2.737903
  H      -1.728769     -3.296133      4.020221
  H      -1.235707     -3.539542      0.415402
  H      -1.060278     -1.817378      0.723459
  H      -2.226009     -2.139802     -1.414391
  H      -3.491580     -3.107748     -0.655279
  H      -4.342995     -0.829720     -0.930903
  H      -2.922476     -0.147493     -0.119459
  H      -4.867893     -0.290074      1.467485
  H      -4.961249     -2.035237      1.190087
  H      -3.700727     -1.508378      3.289953
  H      -2.523490     -0.581074      2.328363
  H     -10.516541     -5.361800      6.891242
  H     -10.551914     -5.040777      5.137190
  H     -11.047387     -6.632104      5.742448
  H      -8.847668     -7.130455      6.307599
  H      -8.114826     -4.909620      7.082664
  H      -6.979552     -5.855160      6.105545
  H      -7.081280     -3.451132      5.575220
  H      -8.769493     -3.579702      5.087299
  H      -8.722520     -6.037897      3.313224
  H      -9.354530     -4.457571      2.928839
  H      -9.036444     -5.517031      0.814648
  H      -7.445732     -6.145119      1.232174
  H      -7.774626     -3.874457     -0.294464
  H      -6.353663     -4.147413      0.723354
  H      -8.858514     -2.658636      1.657012
  H      -7.367627     -1.877971      1.134615
  H      -6.084158     -2.752667      2.941892
  H      -7.575455     -2.183247      3.672687
  H      -4.768024     -1.685112      9.846693
  H      -4.674985     -0.065219      9.121460
  H      -3.304858     -0.689281     10.092733
  H      -3.036983     -0.860221      7.616767
  H      -3.237158     -3.363970      9.086530
  H      -1.779187     -2.390169      8.940651
  H      -2.609785     -2.847497      6.243873
  H      -1.214048     -3.562069      7.044531
  H      -1.006394     -5.788696      7.398979
  H      -2.352549     -6.929196      7.330337
  H      -1.650674     -6.665872      9.613211
  H      -1.804227     -4.921340      9.561992
  H      -3.864541     -6.842347     10.267294
  H      -4.033705     -5.092707     10.179808
  H      -5.701666     -6.087274      8.692799
  H      -4.485656     -7.081028      7.892735
  H      -4.708515     -4.023287      7.826084
  H      -5.043606     -5.107231      6.501960
  N      -4.669648     -2.916255      4.979863
  N      -4.942522     -1.713116      5.478725
  H      -4.801047     -1.672873      6.505711
  H      -4.445608     -0.936201      5.015018
111
Coordinates from ORCA-job /scratch/magstr/orcajob__5661762-f1oJ/orca E -5878.652794321662
  N      -3.354167     -3.892682      2.249850
  C      -3.391419     -4.953354      1.245850
  C      -2.915213     -6.255213      1.870282
  N      -3.709130     -6.487276      3.095815
  C      -5.010256     -7.125062      2.783745
  C      -6.081649     -6.549669      3.694915
  N      -6.058598     -5.095351      3.579122
  Mo     -4.192864     -4.348592      4.023391
  N      -2.879360     -5.128744      5.389046
  C      -2.062172     -6.216125      4.857465
  C      -2.943364     -7.216707      4.123339
  H      -1.492141     -6.751519      5.626576
  H      -1.301258     -5.819468      4.155070
  H      -3.657773     -7.655468      4.835822
  H      -2.357631     -8.038102      3.665718
  H      -7.055596     -6.975090      3.410345
  H      -5.894201     -6.903415      4.731640
  H      -5.271637     -6.877021      1.745797
  H      -4.928594     -8.224432      2.865764
  H      -2.774444     -4.740309      0.363265
  H      -4.428427     -5.084557      0.880725
  H      -1.859593     -6.146593      2.156622
  H      -3.000131     -7.116928      1.180670
  C       1.466365     -1.726582      2.064768
  N       0.288537     -0.989645      2.509616
  C      -0.463833     -1.682990      3.560614
  C      -1.266333     -2.902573      3.099124
  C      -2.421723     -2.731121      2.070574
  C      -1.820181     -2.618833      0.651013
  C      -2.813052     -2.251241     -0.458399
  C      -3.602387     -0.988806     -0.104755
  C      -4.258365     -1.150709      1.265592
  C      -3.203130     -1.425437      2.334558
  C     -10.324056     -5.855201      5.870531
  N      -8.956699     -6.334258      5.699441
  C      -7.940539     -5.336525      6.055147
  C      -7.826480     -4.142149      5.107299
  C      -7.353306     -4.369838      3.641381
  C      -8.454889     -5.091722      2.829785
  C      -8.104445     -5.278968      1.347509
  C      -7.441522     -4.023050      0.741427
  C      -7.765666     -2.797697      1.593131
  C      -7.173029     -2.953502      2.997872
  C      -4.095431     -0.950350      9.357277
  N      -3.580663     -1.548227      8.128161
  C      -2.689700     -2.690164      8.388872
  C      -2.313031     -3.443164      7.099375
  C      -2.917505     -4.867156      6.864274
  C      -2.071045     -5.895227      7.652832
  C      -2.243449     -5.832548      9.175302
  C      -3.727965     -5.964176      9.602045
  C      -4.644365     -6.091690      8.382197
  C      -4.396463     -4.962659      7.382062
  H       2.134026     -2.041497      2.895664
  H       2.046791     -1.108279      1.366124
  H       1.158555     -2.635217      1.526665
  H       0.581303     -0.079335      2.866999
  H       0.211511     -2.033776      4.374965
  H      -1.145715     -0.951221      4.019580
  H      -0.581882     -3.680704      2.717106
  H      -1.718438     -3.326995      4.013143
  H      -1.262750     -3.535847      0.398935
  H      -1.066048     -1.818885      0.723464
  H      -2.263244     -2.110472     -1.403351
  H      -3.529431     -3.070597     -0.634956
  H      -4.356508     -0.778754     -0.879921
  H      -2.917690     -0.122089     -0.079302
  H      -4.845675     -0.256975      1.530445
  H      -4.961819     -1.998419      1.237234
  H      -3.666308     -1.506065      3.326378
  H      -2.491684     -0.584583      2.356775
  H     -10.520763     -5.412838      6.871706
  H     -10.549470     -5.085195      5.118684
  H     -11.026766     -6.685649      5.714480
  H      -8.822560     -7.153968      6.293165
  H      -8.124749     -4.923905      7.074423
  H      -6.972042     -5.852378      6.101286
  H      -7.102163     -3.451476      5.569294
  H      -8.787957     -3.600076      5.078370
  H      -8.723625     -6.045835      3.300004
  H      -9.358909     -4.466465      2.915026
  H      -9.030978     -5.519121      0.800624
  H      -7.442187     -6.149588      1.222853
  H      -7.761012     -3.878457     -0.302191
  H      -6.346949     -4.149147      0.725506
  H      -8.860368     -2.665010      1.642574
  H      -7.368075     -1.880919      1.129629
  H      -6.095999     -2.747586      2.948578
  H      -7.597551     -2.190009      3.667431
  H      -4.767353     -1.671305      9.846975
  H      -4.682217     -0.052715      9.117647
  H      -3.306777     -0.670085     10.085379
  H      -3.048136     -0.845282      7.608107
  H      -3.228224     -3.344672      9.087531
  H      -1.775600     -2.365242      8.929003
  H      -2.619197     -2.833827      6.239266
  H      -1.217507     -3.543573      7.034568
  H      -1.006404     -5.768705      7.401395
  H      -2.350589     -6.911759      7.334811
  H      -1.648417     -6.646438      9.616922
  H      -1.804950     -4.902426      9.565553
  H      -3.861505     -6.827803     10.271073
  H      -4.035434     -5.078179     10.182419
  H      -5.700572     -6.079875      8.695110
  H      -4.480001     -7.067831      7.894792
  H      -4.706778     -4.010502      7.838927
  H      -5.048252     -5.086520      6.510044
  N      -4.685839     -2.912334      4.982211
  N      -4.963114     -1.709714      5.478630
  H      -4.820157     -1.665891      6.504831
  H      -4.472817     -0.930512      5.011837
111
Coordinates from ORCA-job /scratch/magstr/orcajob__5661762-f1oJ/orca E -5878.652850491947
  N      -3.361581     -3.883547      2.249013
  C      -3.393608     -4.946729      1.247321
  C      -2.908629     -6.245312      1.872605
  N      -3.704339     -6.480966      3.096684
  C      -5.003148     -7.122528      2.782037
  C      -6.077199     -6.550241      3.693250
  N      -6.058623     -5.095087      3.578516
  Mo     -4.195035     -4.343372      4.024078
  N      -2.883377     -5.122468      5.391903
  C      -2.061542     -6.207390      4.862131
  C      -2.938692     -7.209771      4.125345
  H      -1.490589     -6.740117      5.632369
  H      -1.300293     -5.809080      4.160962
  H      -3.654315     -7.650847      4.835146
  H      -2.350028     -8.029642      3.668907
  H      -7.050991     -6.976629      3.410378
  H      -5.886764     -6.905169      4.728986
  H      -5.265277     -6.875967      1.743981
  H      -4.917013     -8.221550      2.863709
  H      -2.781273     -4.729452      0.362455
  H      -4.429857     -5.087659      0.884894
  H      -1.853776     -6.130699      2.159750
  H      -2.988403     -7.107611      1.183046
  C       1.471461     -1.776713      2.023142
  N       0.314072     -1.024448      2.495421
  C      -0.434155     -1.716637      3.549803
  C      -1.257170     -2.922223      3.088252
  C      -2.420870     -2.728280      2.073350
  C      -1.835223     -2.604531      0.648049
  C      -2.842476     -2.223343     -0.443154
  C      -3.616298     -0.956875     -0.069111
  C      -4.253728     -1.122694      1.309520
  C      -3.185185     -1.417309      2.360298
  C     -10.322941     -5.875562      5.865591
  N      -8.954042     -6.348875      5.691918
  C      -7.940674     -5.348848      6.050228
  C      -7.833873     -4.152171      5.104966
  C      -7.356898     -4.375323      3.639114
  C      -8.453412     -5.099784      2.822522
  C      -8.096140     -5.287497      1.341504
  C      -7.417047     -4.037461      0.742899
  C      -7.754550     -2.808322      1.583577
  C      -7.184416     -2.956828      2.999116
  C      -4.101435     -0.937791      9.354772
  N      -3.586828     -1.537702      8.126082
  C      -2.694933     -2.679053      8.389293
  C      -2.319788     -3.432440      7.099238
  C      -2.921695     -4.858018      6.867186
  C      -2.073604     -5.883287      7.658143
  C      -2.250022     -5.819681      9.180001
  C      -3.735494     -5.954106      9.603251
  C      -4.648566     -6.085680      8.381539
  C      -4.401008     -4.955037      7.383100
  H       2.144946     -2.116543      2.839424
  H       2.053331     -1.159255      1.324980
  H       1.138255     -2.671182      1.476594
  H       0.627595     -0.123219      2.858080
  H       0.246230     -2.083031      4.353081
  H      -1.102214     -0.980737      4.022279
  H      -0.587819     -3.707994      2.695592
  H      -1.709531     -3.345706      4.002349
  H      -1.285060     -3.520928      0.378755
  H      -1.077211     -1.808105      0.718824
  H      -2.306883     -2.080852     -1.395998
  H      -3.567332     -3.036991     -0.612692
  H      -4.379602     -0.734945     -0.831874
  H      -2.923602     -0.096413     -0.047266
  H      -4.827789     -0.225221      1.590412
  H      -4.966065     -1.962629      1.283817
  H      -3.633025     -1.500925      3.358822
  H      -2.464589     -0.584353      2.378394
  H     -10.519874     -5.433751      6.866942
  H     -10.553200     -5.106718      5.113925
  H     -11.022401     -6.709042      5.710949
  H      -8.815855     -7.170183      6.282516
  H      -8.125289     -4.940726      7.071191
  H      -6.970721     -5.862148      6.093587
  H      -7.115349     -3.455664      5.567463
  H      -8.799818     -3.618259      5.075599
  H      -8.723460     -6.054063      3.291860
  H      -9.358531     -4.475435      2.903076
  H      -9.023092     -5.513360      0.789034
  H      -7.444152     -6.165675      1.216173
  H      -7.714849     -3.897634     -0.307833
  H      -6.322922     -4.166696      0.749852
  H      -8.850095     -2.676589      1.615661
  H      -7.350930     -1.893097      1.122125
  H      -6.110289     -2.734218      2.971756
  H      -7.634624     -2.200664      3.660295
  H      -4.774461     -1.657499      9.844928
  H      -4.686450     -0.039247      9.114062
  H      -3.312771     -0.657905     10.083050
  H      -3.054226     -0.835160      7.605483
  H      -3.235355     -3.332908      9.087241
  H      -1.781298     -2.354843      8.930145
  H      -2.633404     -2.825214      6.240461
  H      -1.224151     -3.527806      7.029631
  H      -1.009211     -5.754043      7.407601
  H      -2.351096     -6.900224      7.339452
  H      -1.654839     -6.632588      9.623396
  H      -1.813647     -4.889005      9.571311
  H      -3.868269     -6.817251     10.273105
  H      -4.046528     -5.067775     10.181133
  H      -5.705772     -6.077644      8.691132
  H      -4.479633     -7.061165      7.894276
  H      -4.712019     -4.004549      7.843264
  H      -5.052289     -5.076648      6.510464
  N      -4.695641     -2.906729      4.979654
  N      -4.977633     -1.705568      5.476734
  H      -4.834447     -1.661262      6.502589
  H      -4.490695     -0.924076      5.009956
111
Coordinates from ORCA-job /scratch/magstr/orcajob__5661762-f1oJ/orca E -5878.653207695140
  N      -3.340027     -3.890141      2.248174
  C      -3.360914     -4.951308      1.244151
  C      -2.887172     -6.252248      1.873832
  N      -3.695780     -6.488379      3.089618
  C      -4.992099     -7.129128      2.764632
  C      -6.070810     -6.558350      3.670576
  N      -6.053466     -5.103334      3.555729
  Mo     -4.194223     -4.350537      4.013566
  N      -2.895812     -5.129501      5.393996
  C      -2.070038     -6.214720      4.870982
  C      -2.940785     -7.216834      4.126686
  H      -1.504601     -6.747328      5.645324
  H      -1.304145     -5.816208      4.174976
  H      -3.663570     -7.656303      4.830274
  H      -2.348542     -8.037655      3.676578
  H      -7.042851     -6.986410      3.383665
  H      -5.884147     -6.912332      4.707373
  H      -5.246481     -6.881313      1.724899
  H      -4.907214     -8.228349      2.846077
  H      -2.736716     -4.734663      0.367562
  H      -4.392522     -5.090222      0.867531
  H      -1.835324     -6.140797      2.172680
  H      -2.961370     -7.113037      1.181780
  C       1.472892     -1.755792      2.007707
  N       0.317259     -1.003432      2.484093
  C      -0.425805     -1.694421      3.542795
  C      -1.246048     -2.904884      3.087999
  C      -2.415335     -2.720157      2.076434
  C      -1.835027     -2.578788      0.650626
  C      -2.852113     -2.208882     -0.435325
  C      -3.644770     -0.956522     -0.053274
  C      -4.273223     -1.136212      1.327924
  C      -3.196588     -1.421717      2.372832
  C     -10.318788     -5.877150      5.868866
  N      -8.954751     -6.359933      5.683551
  C      -7.931016     -5.367537      6.033664
  C      -7.824954     -4.169209      5.090114
  C      -7.356096     -4.390727      3.621505
  C      -8.452029     -5.124072      2.812427
  C      -8.101969     -5.311039      1.329403
  C      -7.433941     -4.057652      0.726084
  C      -7.778419     -2.829758      1.565584
  C      -7.201972     -2.970786      2.979568
  C      -3.984959     -0.938099      9.416826
  N      -3.502847     -1.531809      8.171908
  C      -2.633780     -2.696938      8.404481
  C      -2.302645     -3.445140      7.099579
  C      -2.938935     -4.855910      6.867805
  C      -2.123014     -5.896228      7.672097
  C      -2.307185     -5.812621      9.192162
  C      -3.797935     -5.906400      9.607414
  C      -4.706052     -6.027885      8.381147
  C      -4.424492     -4.914104      7.372559
  H       2.148820     -2.096047      2.821811
  H       2.052785     -1.137795      1.308352
  H       1.138066     -2.649897      1.461575
  H       0.632593     -0.101620      2.843797
  H       0.258127     -2.055190      4.345655
  H      -1.095437     -0.959209      4.014193
  H      -0.574868     -3.688376      2.694098
  H      -1.691912     -3.330246      4.004336
  H      -1.270649     -3.484481      0.374690
  H      -1.089856     -1.770521      0.723790
  H      -2.322522     -2.053503     -1.389544
  H      -3.564041     -3.033638     -0.605809
  H      -4.415153     -0.744561     -0.811794
  H      -2.965930     -0.085026     -0.032316
  H      -4.855614     -0.246187      1.615272
  H      -4.976484     -1.983886      1.302282
  H      -3.639597     -1.515601      3.372540
  H      -2.487281     -0.579032      2.392149
  H     -10.502788     -5.430478      6.870575
  H     -10.551920     -5.109601      5.116721
  H     -11.024997     -6.706771      5.724455
  H      -8.817426     -7.182950      6.272012
  H      -8.103358     -4.960241      7.057146
  H      -6.964352     -5.887770      6.066717
  H      -7.102160     -3.475367      5.550320
  H      -8.789490     -3.632505      5.066532
  H      -8.713068     -6.079321      3.284891
  H      -9.360642     -4.505244      2.897001
  H      -9.030636     -5.542819      0.782229
  H      -7.445412     -6.185439      1.200840
  H      -7.735867     -3.922267     -0.324076
  H      -6.338849     -4.178318      0.730497
  H      -8.874903     -2.706795      1.601355
  H      -7.383753     -1.912204      1.101024
  H      -6.131252     -2.733980      2.949924
  H      -7.660350     -2.219856      3.641125
  H      -4.672466     -1.646821      9.903137
  H      -4.546682     -0.019263      9.198199
  H      -3.179513     -0.693407     10.139290
  H      -2.963323     -0.833831      7.652125
  H      -3.176037     -3.345325      9.106203
  H      -1.702224     -2.400049      8.930345
  H      -2.618968     -2.823134      6.252461
  H      -1.210983     -3.563961      7.007461
  H      -1.053969     -5.796348      7.427581
  H      -2.424698     -6.908501      7.360721
  H      -1.734395     -6.634749      9.647876
  H      -1.851683     -4.888096      9.576482
  H      -3.956328     -6.758946     10.285257
  H      -4.090539     -5.006815     10.174311
  H      -5.764774     -5.991461      8.683570
  H      -4.557515     -7.011978      7.904641
  H      -4.717915     -3.951562      7.818825
  H      -5.071308     -5.031587      6.495960
  N      -4.705291     -2.915373      4.966037
  N      -5.000556     -1.715369      5.463728
  H      -4.867386     -1.673910      6.491925
  H      -4.511061     -0.930284      5.004174
111
Coordinates from ORCA-job /scratch/magstr/orcajob__5661762-f1oJ/orca E -5878.653680490721
  N      -3.318641     -3.891374      2.266429
  C      -3.335869     -4.940931      1.250640
  C      -2.879706     -6.252258      1.872601
  N      -3.702856     -6.495760      3.077444
  C      -4.998902     -7.127341      2.736562
  C      -6.079501     -6.559489      3.641129
  N      -6.056410     -5.103385      3.535922
  Mo     -4.199265     -4.361941      4.016613
  N      -2.923347     -5.160925      5.403632
  C      -2.094315     -6.243295      4.880514
  C      -2.961724     -7.235427      4.118334
  H      -1.536748     -6.783132      5.655840
  H      -1.322069     -5.841264      4.193412
  H      -3.694652     -7.676036      4.810599
  H      -2.368613     -8.056071      3.669170
  H      -7.051984     -6.982115      3.348064
  H      -5.897148     -6.921234      4.675874
  H      -5.244232     -6.870208      1.696849
  H      -4.920164     -8.227659      2.809901
  H      -2.700088     -4.719971      0.383293
  H      -4.363742     -5.070027      0.860088
  H      -1.830245     -6.152425      2.183645
  H      -2.953095     -7.104405      1.169881
  C       1.485929     -1.790557      1.969333
  N       0.354821     -1.022187      2.478262
  C      -0.379292     -1.710537      3.544294
  C      -1.219073     -2.910824      3.097368
  C      -2.403476     -2.711787      2.104375
  C      -1.843973     -2.541283      0.673573
  C      -2.882969     -2.168176     -0.389716
  C      -3.678474     -0.926428      0.020292
  C      -4.280694     -1.124243      1.410821
  C      -3.185251     -1.422051      2.433163
  C     -10.299413     -5.916517      5.876983
  N      -8.931067     -6.382888      5.682461
  C      -7.916018     -5.377591      6.020202
  C      -7.830879     -4.179868      5.073571
  C      -7.362593     -4.395971      3.604285
  C      -8.453402     -5.131875      2.790985
  C      -8.094327     -5.317707      1.309436
  C      -7.416645     -4.066381      0.713521
  C      -7.776355     -2.837099      1.544312
  C      -7.220903     -2.972769      2.967714
  C      -3.953534     -0.891068      9.359055
  N      -3.518645     -1.528980      8.117742
  C      -2.625058     -2.673829      8.360050
  C      -2.322332     -3.449891      7.065567
  C      -2.956973     -4.866566      6.872564
  C      -2.141069     -5.899733      7.687126
  C      -2.317917     -5.800879      9.207151
  C      -3.807132     -5.878320      9.631613
  C      -4.724823     -6.005501      8.413052
  C      -4.440232     -4.908359      7.386522
  H       2.168753     -2.157961      2.765753
  H       2.066350     -1.172913      1.270099
  H       1.123023     -2.668341      1.414813
  H       0.694756     -0.130442      2.840632
  H       0.313052     -2.082156      4.334984
  H      -1.034700     -0.970938      4.028741
  H      -0.562103     -3.698716      2.688662
  H      -1.653579     -3.339827      4.016704
  H      -1.274429     -3.436241      0.374371
  H      -1.106211     -1.726376      0.748413
  H      -2.372137     -1.997459     -1.351556
  H      -3.590196     -2.997910     -0.556350
  H      -4.464212     -0.712734     -0.721870
  H      -3.005920     -0.049913      0.037572
  H      -4.856403     -0.237160      1.720056
  H      -4.985805     -1.970470      1.386738
  H      -3.610577     -1.531442      3.438602
  H      -2.478612     -0.577027      2.453027
  H     -10.478665     -5.460536      6.875400
  H     -10.551767     -5.161319      5.118449
  H     -10.995497     -6.757548      5.750366
  H      -8.777629     -7.202081      6.272507
  H      -8.083496     -4.970401      7.044547
  H      -6.943848     -5.887823      6.045666
  H      -7.115781     -3.475684      5.528414
  H      -8.802209     -3.655605      5.052656
  H      -8.716310     -6.087110      3.262441
  H      -9.362681     -4.513237      2.870070
  H      -9.020769     -5.542655      0.755491
  H      -7.441511     -6.195189      1.182175
  H      -7.700902     -3.934748     -0.342091
  H      -6.321498     -4.185500      0.737192
  H      -8.873612     -2.716810      1.563669
  H      -7.377061     -1.919582      1.083430
  H      -6.154757     -2.716572      2.959239
  H      -7.704771     -2.231766      3.622341
  H      -4.613750     -1.584283      9.902442
  H      -4.530110      0.015775      9.129173
  H      -3.119938     -0.613708     10.036680
  H      -3.012821     -0.844698      7.548180
  H      -3.140371     -3.308215      9.093548
  H      -1.682919     -2.350546      8.850423
  H      -2.668284     -2.845695      6.216738
  H      -1.232899     -3.561432      6.942569
  H      -1.072799     -5.806468      7.436886
  H      -2.448057     -6.913897      7.386393
  H      -1.749095     -6.623180      9.667662
  H      -1.853665     -4.876809      9.580921
  H      -3.968678     -6.721730     10.320142
  H      -4.088428     -4.970124     10.190441
  H      -5.781035     -5.955455      8.722166
  H      -4.590389     -6.996895      7.947581
  H      -4.724280     -3.936841      7.819898
  H      -5.093273     -5.035382      6.516184
  N      -4.712875     -2.934865      4.981163
  N      -5.016067     -1.740124      5.495878
  H      -4.872781     -1.709965      6.522124
  H      -4.531628     -0.947144      5.043225
111
Coordinates from ORCA-job /scratch/magstr/orcajob__5661762-f1oJ/orca E -5878.654071807050
  N      -3.318117     -3.886819      2.281640
  C      -3.331206     -4.933518      1.263413
  C      -2.880842     -6.246162      1.885896
  N      -3.711018     -6.491049      3.084421
  C      -5.002785     -7.124470      2.734732
  C      -6.088010     -6.560869      3.634536
  N      -6.069367     -5.103632      3.531508
  Mo     -4.217094     -4.357356      4.023683
  N      -2.949889     -5.156636      5.416853
  C      -2.114215     -6.235577      4.898265
  C      -2.975495     -7.228414      4.130449
  H      -1.562737     -6.775939      5.678235
  H      -1.337394     -5.832408      4.216585
  H      -3.712660     -7.668828      4.818031
  H      -2.378538     -8.048585      3.685873
  H      -7.057105     -6.987297      3.337673
  H      -5.908153     -6.923092      4.669242
  H      -5.241557     -6.866513      1.693645
  H      -4.923004     -8.224829      2.807364
  H      -2.688306     -4.712823      0.400782
  H      -4.356855     -5.059953      0.865053
  H      -1.833152     -6.148404      2.203634
  H      -2.951027     -7.096509      1.180796
  C       1.487335     -1.816702      1.942743
  N       0.368597     -1.032010      2.454290
  C      -0.365882     -1.704244      3.529820
  C      -1.216096     -2.903513      3.099750
  C      -2.405381     -2.706181      2.112677
  C      -1.853962     -2.543451      0.678076
  C      -2.901603     -2.180070     -0.379200
  C      -3.688256     -0.930874      0.024584
  C      -4.279353     -1.110848      1.422146
  C      -3.179447     -1.411995      2.439518
  C     -10.305847     -5.997631      5.835272
  N      -8.927633     -6.437157      5.648967
  C      -7.934279     -5.417281      6.004471
  C      -7.861067     -4.209404      5.070568
  C      -7.379770     -4.403953      3.603066
  C      -8.462028     -5.126516      2.766949
  C      -8.078929     -5.296721      1.289399
  C      -7.378127     -4.044839      0.721691
  C      -7.748104     -2.819849      1.554928
  C      -7.230994     -2.972535      2.991090
  C      -3.883774     -0.844224      9.361047
  N      -3.493037     -1.510799      8.119747
  C      -2.602914     -2.658675      8.359257
  C      -2.319946     -3.442996      7.065638
  C      -2.967923     -4.853474      6.883607
  C      -2.157181     -5.903355      7.682134
  C      -2.316671     -5.826509      9.205210
  C      -3.801983     -5.881762      9.645671
  C      -4.737703     -5.974340      8.437643
  C      -4.444199     -4.873480      7.417251
  H       2.168575     -2.190684      2.737470
  H       2.072954     -1.208298      1.239826
  H       1.111080     -2.691128      1.392017
  H       0.721818     -0.142252      2.808636
  H       0.327185     -2.072155      4.321631
  H      -1.014054     -0.954803      4.008864
  H      -0.566559     -3.698705      2.692941
  H      -1.643834     -3.324114      4.025179
  H      -1.285936     -3.439826      0.380420
  H      -1.115851     -1.728029      0.742446
  H      -2.399827     -2.021372     -1.347816
  H      -3.611929     -3.010399     -0.528979
  H      -4.480137     -0.722245     -0.712439
  H      -3.012106     -0.056944      0.025510
  H      -4.842462     -0.214680      1.728535
  H      -4.994370     -1.948225      1.409616
  H      -3.598232     -1.513168      3.448114
  H      -2.467462     -0.571077      2.450639
  H     -10.501012     -5.549682      6.834360
  H     -10.567075     -5.243925      5.078180
  H     -10.984878     -6.851142      5.700039
  H      -8.763074     -7.258452      6.233172
  H      -8.116483     -5.023060      7.031346
  H      -6.953685     -5.910767      6.032381
  H      -7.158398     -3.501171      5.536677
  H      -8.838862     -3.697367      5.048277
  H      -8.737714     -6.085395      3.223537
  H      -9.368744     -4.503237      2.838313
  H      -8.996902     -5.506511      0.715810
  H      -7.431451     -6.178222      1.162864
  H      -7.636846     -3.901159     -0.338850
  H      -6.284734     -4.173215      0.769577
  H      -8.844361     -2.690612      1.547740
  H      -7.329908     -1.901262      1.112929
  H      -6.165943     -2.711412      3.017738
  H      -7.736422     -2.243433      3.642820
  H      -4.534529     -1.517860      9.939034
  H      -4.455654      0.065339      9.130474
  H      -3.026771     -0.563996     10.007713
  H      -2.999279     -0.841316      7.522737
  H      -3.114349     -3.283867      9.102896
  H      -1.652678     -2.337474      8.835186
  H      -2.674300     -2.838193      6.220663
  H      -1.233194     -3.562337      6.925775
  H      -1.090109     -5.820367      7.423222
  H      -2.478871     -6.909486      7.369048
  H      -1.758591     -6.666966      9.645686
  H      -1.830793     -4.918441      9.589161
  H      -3.971959     -6.730619     10.325401
  H      -4.058346     -4.975788     10.220078
  H      -5.788070     -5.903938      8.762077
  H      -4.634071     -6.963440      7.959432
  H      -4.702217     -3.899898      7.862872
  H      -5.111227     -4.980629      6.555799
  N      -4.740632     -2.933325      4.987558
  N      -5.060557     -1.742029      5.504111
  H      -4.904020     -1.708391      6.527036
  H      -4.588401     -0.944194      5.048092
111
Coordinates from ORCA-job /scratch/magstr/orcajob__5661762-f1oJ/orca E -5878.654441750725
  N      -3.318057     -3.881673      2.291247
  C      -3.328381     -4.923613      1.267457
  C      -2.882567     -6.239285      1.885502
  N      -3.719653     -6.488997      3.077096
  C      -5.008716     -7.120686      2.716236
  C      -6.098691     -6.562336      3.612831
  N      -6.081864     -5.103629      3.517660
  Mo     -4.232002     -4.358497      4.023924
  N      -2.974526     -5.164755      5.419864
  C      -2.133071     -6.239534      4.900187
  C      -2.989983     -7.229148      4.124219
  H      -1.587636     -6.784793      5.679961
  H      -1.351858     -5.833654      4.224798
  H      -3.730929     -7.671626      4.806173
  H      -2.390369     -8.047543      3.680159
  H      -7.065892     -6.988626      3.310352
  H      -5.922703     -6.929754      4.645959
  H      -5.240552     -6.857655      1.674849
  H      -4.929731     -8.221461      2.783755
  H      -2.681398     -4.701066      0.408699
  H      -4.352245     -5.046928      0.863717
  H      -1.836384     -6.144691      2.209392
  H      -2.950138     -7.085809      1.175593
  C       1.501980     -1.874181      1.920165
  N       0.403344     -1.070977      2.446521
  C      -0.333918     -1.734822      3.524954
  C      -1.205663     -2.919922      3.098483
  C      -2.403516     -2.702445      2.127041
  C      -1.871686     -2.518528      0.687535
  C      -2.939245     -2.147716     -0.346501
  C      -3.717753     -0.901876      0.082748
  C      -4.282649     -1.092353      1.489747
  C      -3.166072     -1.410314      2.483781
  C     -10.289064     -6.066304      5.793907
  N      -8.898220     -6.471845      5.625888
  C      -7.935544     -5.427261      5.992594
  C      -7.883226     -4.220371      5.057387
  C      -7.395282     -4.409153      3.591247
  C      -8.471124     -5.132674      2.747861
  C      -8.072513     -5.304276      1.274316
  C      -7.355237     -4.057459      0.716315
  C      -7.737093     -2.827902      1.537063
  C      -7.250669     -2.975845      2.984624
  C      -3.829197     -0.816296      9.355866
  N      -3.480339     -1.505805      8.114689
  C      -2.583476     -2.649664      8.345583
  C      -2.320698     -3.437664      7.050394
  C      -2.976342     -4.844349      6.884949
  C      -2.168141     -5.889512      7.691343
  C      -2.317800     -5.797100      9.214418
  C      -3.800160     -5.837117      9.664430
  C      -4.742999     -5.935607      8.462932
  C      -4.447356     -4.846337      7.431451
  H       2.179917     -2.270282      2.706969
  H       2.096154     -1.271102      1.219922
  H       1.104216     -2.734885      1.363169
  H       0.777575     -0.190966      2.803566
  H       0.358982     -2.115392      4.310943
  H      -0.966867     -0.976446      4.010221
  H      -0.571901     -3.722055      2.680244
  H      -1.627701     -3.339029      4.027145
  H      -1.304094     -3.407667      0.368830
  H      -1.136000     -1.701013      0.751296
  H      -2.456973     -1.980876     -1.323614
  H      -3.651090     -2.978052     -0.488066
  H      -4.524041     -0.687584     -0.636781
  H      -3.041569     -0.027997      0.076707
  H      -4.834095     -0.195691      1.815453
  H      -5.003064     -1.924975      1.481197
  H      -3.565839     -1.520787      3.499568
  H      -2.449827     -0.573003      2.491532
  H     -10.507381     -5.619651      6.788764
  H     -10.559805     -5.322145      5.030675
  H     -10.944952     -6.936971      5.654125
  H      -8.720027     -7.288073      6.213035
  H      -8.138921     -5.036664      7.016882
  H      -6.942549     -5.894718      6.031321
  H      -7.195535     -3.497993      5.524443
  H      -8.870532     -3.727133      5.030744
  H      -8.751205     -6.091393      3.202789
  H      -9.377786     -4.508157      2.809983
  H      -8.984908     -5.506696      0.689351
  H      -7.429841     -6.190153      1.154510
  H      -7.592653     -3.916696     -0.349591
  H      -6.263678     -4.190303      0.786579
  H      -8.832588     -2.695795      1.507424
  H      -7.308045     -1.912259      1.099396
  H      -6.189898     -2.701310      3.039662
  H      -7.781054     -2.254587      3.625283
  H      -4.461748     -1.476784      9.968038
  H      -4.405635      0.090924      9.127679
  H      -2.950603     -0.527171      9.968835
  H      -3.006103     -0.847143      7.490313
  H      -3.080857     -3.273042      9.101157
  H      -1.625795     -2.323748      8.803113
  H      -2.687351     -2.834744      6.209200
  H      -1.236601     -3.560859      6.893319
  H      -1.101723     -5.815320      7.427183
  H      -2.497998     -6.896109      7.388984
  H      -1.763373     -6.637861      9.658880
  H      -1.822522     -4.889050      9.587267
  H      -3.972304     -6.677055     10.354566
  H      -4.046335     -4.922609     10.229793
  H      -5.790646     -5.852778      8.793140
  H      -4.651483     -6.930300      7.993482
  H      -4.690204     -3.867093      7.873018
  H      -5.123316     -4.952726      6.577279
  N      -4.763339     -2.939643      4.990767
  N      -5.098538     -1.754023      5.511013
  H      -4.938459     -1.721769      6.532733
  H      -4.631426     -0.951570      5.059088
111
Coordinates from ORCA-job /scratch/magstr/orcajob__5661762-f1oJ/orca E -5878.654788901598
  N      -3.306379     -3.881071      2.302320
  C      -3.306373     -4.918573      1.272168
  C      -2.874017     -6.238927      1.888520
  N      -3.726524     -6.491367      3.067667
  C      -5.012705     -7.117445      2.687994
  C      -6.110583     -6.565259      3.578697
  N      -6.095666     -5.104671      3.495394
  Mo     -4.246754     -4.365103      4.019010
  N      -3.005183     -5.177615      5.422005
  C      -2.158863     -6.252335      4.907852
  C      -3.011045     -7.235921      4.120362
  H      -1.627680     -6.804811      5.691556
  H      -1.366913     -5.848662      4.243604
  H      -3.760758     -7.676950      4.793453
  H      -2.409431     -8.055173      3.680683
  H      -7.075415     -6.990112      3.267389
  H      -5.942463     -6.940012      4.610205
  H      -5.231770     -6.845967      1.646044
  H      -4.936726     -8.218968      2.747652
  H      -2.645703     -4.696371      0.424266
  H      -4.323801     -5.036114      0.851805
  H      -1.831201     -6.151023      2.225098
  H      -2.936872     -7.081218      1.173167
  C       1.530888     -1.953299      1.902370
  N       0.456008     -1.125844      2.439942
  C      -0.287900     -1.775238      3.522652
  C      -1.185706     -2.942670      3.100925
  C      -2.390983     -2.701233      2.146987
  C      -1.882389     -2.486241      0.703288
  C      -2.975033     -2.107157     -0.300986
  C      -3.747648     -0.869753      0.162591
  C      -4.278843     -1.078187      1.580272
  C      -3.141154     -1.414331      2.543221
  C     -10.261532     -6.168374      5.751587
  N      -8.862359     -6.541619      5.578487
  C      -7.923649     -5.484528      5.969633
  C      -7.896653     -4.260841      5.056767
  C      -7.412869     -4.418545      3.585614
  C      -8.486141     -5.135245      2.732458
  C      -8.085579     -5.283007      1.256360
  C      -7.360079     -4.031436      0.721903
  C      -7.750650     -2.811217      1.551507
  C      -7.284820     -2.973644      3.004706
  C      -3.769904     -0.752051      9.300809
  N      -3.462739     -1.481957      8.072314
  C      -2.566224     -2.623607      8.310401
  C      -2.321127     -3.428283      7.022259
  C      -2.989149     -4.830485      6.882467
  C      -2.185716     -5.866669      7.703709
  C      -2.329874     -5.750127      9.225529
  C      -3.810745     -5.773185      9.680615
  C      -4.756686     -5.884998      8.483065
  C      -4.456561     -4.811921      7.436794
  H       2.201828     -2.372269      2.683339
  H       2.137422     -1.360384      1.204116
  H       1.108925     -2.799412      1.340892
  H       0.854937     -0.256799      2.797296
  H       0.401962     -2.170516      4.304147
  H      -0.901842     -1.004007      4.011882
  H      -0.571204     -3.753624      2.671076
  H      -1.604357     -3.356818      4.033607
  H      -1.312493     -3.363241      0.357054
  H      -1.151859     -1.664370      0.769085
  H      -2.517852     -1.926079     -1.287556
  H      -3.685364     -2.939785     -0.434165
  H      -4.572855     -0.650865     -0.533708
  H      -3.075356      0.007017      0.148712
  H      -4.818949     -0.184111      1.931240
  H      -5.001761     -1.908144      1.575549
  H      -3.515823     -1.538330      3.568060
  H      -2.421785     -0.579788      2.546916
  H     -10.489932     -5.743671      6.753702
  H     -10.546984     -5.416766      5.001157
  H     -10.899153     -7.049861      5.596102
  H      -8.667972     -7.366021      6.148730
  H      -8.138634     -5.118150      7.000501
  H      -6.919327     -5.928829      6.001524
  H      -7.219755     -3.534415      5.534696
  H      -8.892725     -3.785042      5.041073
  H      -8.760514     -6.102847      3.172665
  H      -9.395467     -4.515178      2.803634
  H      -8.996979     -5.470567      0.665026
  H      -7.446750     -6.169474      1.122548
  H      -7.585482     -3.877664     -0.344896
  H      -6.270253     -4.167506      0.803979
  H      -8.845806     -2.679636      1.509393
  H      -7.317564     -1.890868      1.128337
  H      -6.231052     -2.679976      3.088789
  H      -7.841897     -2.274442      3.647367
  H      -4.387439     -1.387992      9.952999
  H      -4.347012      0.151887      9.061805
  H      -2.870912     -0.450923      9.877343
  H      -3.003477     -0.846061      7.414028
  H      -3.055506     -3.236132      9.080715
  H      -1.602389     -2.292713      8.751623
  H      -2.692833     -2.833543      6.176856
  H      -1.239629     -3.560768      6.854913
  H      -1.119025     -5.802979      7.437427
  H      -2.523413     -6.874999      7.416944
  H      -1.780306     -6.588959      9.679491
  H      -1.826249     -4.840350      9.584174
  H      -3.986455     -6.600163     10.385305
  H      -4.049487     -4.847438     10.230692
  H      -5.802705     -5.788138      8.815016
  H      -4.675331     -6.887440      8.028068
  H      -4.686446     -3.825724      7.868755
  H      -5.138235     -4.921692      6.587771
  N      -4.788485     -2.950956      4.985349
  N      -5.146788     -1.772967      5.506708
  H      -5.002636     -1.745524      6.530900
  H      -4.674867     -0.965040      5.069975
