124
Coordinates from ORCA-job /scratch/magstr/orcajob__5679474-ZHfV/orca E -6457.428477310614
  N      -2.142530     -3.568164      2.462895
  C      -2.067148     -4.568804      1.396053
  C      -2.088998     -5.955884      2.002773
  N      -3.137373     -6.004926      3.049137
  C      -4.500118     -6.102499      2.476134
  C      -5.490826     -5.530257      3.470935
  N      -4.970299     -4.268770      4.005546
  Mo     -3.038790     -3.963014      4.169163
  N      -2.069792     -5.175364      5.372675
  C      -1.780245     -6.560725      4.989624
  C      -2.869363     -7.054248      4.059724
  H      -1.740567     -7.214299      5.871922
  H      -0.785807     -6.625240      4.512502
  H      -3.792712     -7.205133      4.635805
  H      -2.600413     -8.008246      3.575127
  H      -6.453545     -5.367484      2.963037
  H      -5.686185     -6.243976      4.292118
  H      -4.520441     -5.497234      1.559961
  H      -4.738127     -7.146081      2.208916
  H      -1.137766     -4.447461      0.819379
  H      -2.900388     -4.435682      0.681787
  H      -1.124143     -6.157450      2.486731
  H      -2.259275     -6.733895      1.239498
  C      -0.473160     -2.059914      1.346105
  C      -1.840252     -2.178041      2.023084
  C      -2.987894     -1.634363      1.157793
  C      -2.932359     -0.114878      0.934564
  C      -4.198467      0.380114      0.284681
  C      -5.328327      0.682103      1.058343
  C      -6.524598      1.076367      0.463962
  C      -6.638055      1.183624     -0.933629
  C      -7.908052      1.601109     -1.567329
  C      -7.910010      2.391791     -2.730089
  C      -9.107521      2.784726     -3.326802
  C     -10.330257      2.394438     -2.775131
  C     -10.344057      1.608502     -1.620130
  C      -9.146348      1.216909     -1.022974
  C      -5.502594      0.885430     -1.706482
  C      -4.307529      0.490951     -1.107431
  C      -6.704889     -2.673272      3.202563
  C      -6.021828     -3.300363      4.420886
  C      -7.041304     -3.924226      5.382283
  C      -6.423080     -4.501302      6.661148
  C      -7.451033     -5.090115      7.592307
  C      -8.178270     -6.232501      7.227879
  C      -9.126183     -6.786456      8.083092
  C      -9.381929     -6.224248      9.347435
  C     -10.359986     -6.836195     10.272547
  C     -10.576523     -8.225866     10.277846
  C     -11.491534     -8.806967     11.153914
  C     -12.210937     -8.011724     12.049225
  C     -12.005074     -6.630329     12.057802
  C     -11.091726     -6.049955     11.179222
  C      -8.656996     -5.076094      9.706458
  C      -7.714598     -4.520284      8.842914
  C      -0.167926     -5.308800      7.016356
  C      -1.554072     -4.741810      6.704113
  C      -2.588104     -4.983328      7.820096
  C      -2.922584     -6.440793      8.161042
  C      -3.940661     -6.567426      9.270269
  C      -3.755417     -5.942263     10.512344
  C      -4.716864     -6.037211     11.515526
  C      -5.901063     -6.770039     11.320938
  C      -6.951290     -6.821975     12.359993
  C      -7.730129     -7.976015     12.549245
  C      -8.738745     -8.010025     13.510549
  C      -8.993237     -6.889339     14.303257
  C      -8.227211     -5.734210     14.128218
  C      -7.217228     -5.701431     13.167335
  C      -6.069300     -7.421251     10.089002
  C      -5.110728     -7.313482      9.084360
  H       0.303082     -2.565444      1.937532
  H      -0.197735     -0.999694      1.267415
  H      -0.472177     -2.474056      0.327987
  H      -1.809010     -1.581169      2.944713
  H      -3.937404     -1.879139      1.659960
  H      -3.004870     -2.142895      0.179975
  H      -2.063883      0.145803      0.311279
  H      -2.794887      0.384601      1.908399
  H      -5.264195      0.623010      2.148395
  H      -7.378413      1.335837      1.092535
  H      -6.961311      2.724133     -3.155345
  H      -9.085852      3.406894     -4.223230
  H     -11.267150      2.701855     -3.242233
  H     -11.294007      1.291995     -1.185671
  H      -9.168727      0.582834     -0.134590
  H      -5.563803      0.944641     -2.794572
  H      -3.442026      0.260832     -1.734168
  H      -7.247795     -3.418677      2.603369
  H      -5.972990     -2.173596      2.553774
  H      -7.437151     -1.923449      3.534017
  H      -5.493483     -2.505122      4.963716
  H      -7.626933     -4.700041      4.863070
  H      -7.763053     -3.137013      5.651770
  H      -5.863875     -3.709955      7.185591
  H      -5.682512     -5.274812      6.393687
  H      -8.000881     -6.699903      6.255191
  H      -9.688660     -7.664622      7.761284
  H      -9.998636     -8.863018      9.605951
  H     -11.635972     -9.888919     11.145480
  H     -12.926274     -8.466012     12.736657
  H     -12.563983     -5.998277     12.750127
  H     -10.957166     -4.967028     11.182615
  H      -8.799830     -4.638768     10.695536
  H      -7.149140     -3.640733      9.160764
  H       0.543955     -5.069290      6.214151
  H       0.200736     -4.848915      7.943773
  H      -0.167091     -6.395959      7.166831
  H      -1.444024     -3.652090      6.631180
  H      -2.207604     -4.477138      8.721879
  H      -3.516304     -4.461266      7.538846
  H      -1.999641     -6.975150      8.445105
  H      -3.325760     -6.952009      7.273288
  H      -2.841668     -5.375145     10.705671
  H      -4.540093     -5.549045     12.475714
  H      -7.533692     -8.861833     11.942756
  H      -9.334919     -8.914798     13.636319
  H      -9.789021     -6.913534     15.049252
  H      -8.424605     -4.849331     14.736114
  H      -6.642567     -4.785185     13.018457
  H      -6.990028     -7.972211      9.894312
  H      -5.287400     -7.802434      8.122710
  N      -2.990415     -2.436061      5.000091
  H      -2.985844     -1.538434      5.493115
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5679474-ZHfV/orca E -6457.432805906285
  N      -2.079880     -3.567364      2.454011
  C      -2.000040     -4.570609      1.391820
  C      -2.032450     -5.959111      2.000833
  N      -3.080316     -6.010798      3.046599
  C      -4.446999     -6.104414      2.481749
  C      -5.442497     -5.519785      3.471425
  N      -4.917167     -4.256562      4.000500
  Mo     -2.978143     -3.971536      4.168429
  N      -2.017706     -5.196653      5.391449
  C      -1.713093     -6.568878      4.989167
  C      -2.804509     -7.058570      4.053908
  H      -1.670570     -7.239311      5.860828
  H      -0.717535     -6.629794      4.505066
  H      -3.726854     -7.213823      4.630938
  H      -2.534575     -8.012692      3.564308
  H      -6.403757     -5.361402      2.954187
  H      -5.645449     -6.234671      4.293424
  H      -4.464949     -5.502029      1.563186
  H      -4.691992     -7.149514      2.216096
  H      -1.068855     -4.458915      0.811171
  H      -2.833552     -4.443933      0.672450
  H      -1.070117     -6.163222      2.488423
  H      -2.200991     -6.737730      1.233826
  C      -0.465855     -2.028513      1.298780
  C      -1.819193     -2.178223      1.999896
  C      -2.985796     -1.644308      1.153234
  C      -2.948004     -0.123232      0.921979
  C      -4.226736      0.364992      0.294636
  C      -5.342723      0.670790      1.088846
  C      -6.553430      1.051873      0.516181
  C      -6.698068      1.145171     -0.880636
  C      -7.983070      1.548246     -1.490399
  C      -8.017158      2.311832     -2.672154
  C      -9.229987      2.690704     -3.246694
  C     -10.438833      2.315162     -2.653863
  C     -10.421336      1.557007     -1.479669
  C      -9.208427      1.178019     -0.905416
  C      -5.576520      0.844505     -1.674784
  C      -4.367460      0.461559     -1.097080
  C      -6.638842     -2.650544      3.176648
  C      -5.960751     -3.278688      4.398192
  C      -6.994599     -3.879192      5.360080
  C      -6.385325     -4.458181      6.641561
  C      -7.421325     -5.037095      7.569344
  C      -8.156483     -6.174256      7.203048
  C      -9.113927     -6.719407      8.053422
  C      -9.373931     -6.152560      9.314749
  C     -10.364832     -6.753782     10.233431
  C     -10.596184     -8.141271     10.238773
  C     -11.525150     -8.712201     11.107100
  C     -12.243887     -7.909232     11.996140
  C     -12.023208     -6.530082     12.005365
  C     -11.096800     -5.959834     11.133570
  C      -8.641770     -5.009830      9.676412
  C      -7.688578     -4.463855      8.818058
  C      -0.152488     -5.350021      7.075431
  C      -1.531590     -4.779416      6.733256
  C      -2.578902     -5.011958      7.839634
  C      -2.930143     -6.467657      8.169768
  C      -3.959315     -6.595194      9.268520
  C      -3.780408     -5.980866     10.517069
  C      -4.749930     -6.076380     11.512502
  C      -5.937880     -6.798842     11.303635
  C      -6.995620     -6.851093     12.335234
  C      -7.785579     -7.999979     12.510143
  C      -8.800616     -8.034105     13.464919
  C      -9.050252     -6.918966     14.267009
  C      -8.273152     -5.769083     14.106762
  C      -7.257694     -5.735912     13.151392
  C      -6.102822     -7.436871     10.064414
  C      -5.135117     -7.329093      9.068025
  H       0.328660     -2.519710      1.878234
  H      -0.210532     -0.962352      1.214285
  H      -0.471809     -2.444639      0.280538
  H      -1.784340     -1.580188      2.922487
  H      -3.922449     -1.896730      1.674453
  H      -3.016796     -2.155966      0.176489
  H      -2.092568      0.140917      0.281364
  H      -2.794661      0.379676      1.891873
  H      -5.255161      0.622565      2.177466
  H      -7.395458      1.311530      1.160778
  H      -7.079959      2.632915     -3.130382
  H      -9.231631      3.291292     -4.158390
  H     -11.387925      2.611790     -3.103565
  H     -11.359557      1.250983     -1.012771
  H      -9.207562      0.564701     -0.002379
  H      -5.661446      0.890531     -2.762291
  H      -3.515287      0.225578     -1.739889
  H      -7.188080     -3.395014      2.580638
  H      -5.898548     -2.166815      2.526258
  H      -7.364928     -1.887467      3.498039
  H      -5.422958     -2.485219      4.936389
  H      -7.587437     -4.652697      4.844118
  H      -7.709519     -3.082530      5.625716
  H      -5.819362     -3.671707      7.165308
  H      -5.651339     -5.237426      6.375374
  H      -7.976761     -6.643685      6.232138
  H      -9.681859     -7.593552      7.729295
  H     -10.019061     -8.784656      9.572329
  H     -11.680458     -9.792835     11.098206
  H     -12.969500     -8.355663     12.678250
  H     -12.580808     -5.891566     12.693100
  H     -10.950735     -4.878453     11.137229
  H      -8.787386     -4.569602     10.664075
  H      -7.117627     -3.588707      9.137686
  H       0.574242     -5.109852      6.286679
  H       0.202457     -4.895932      8.012746
  H      -0.156890     -6.438923      7.219763
  H      -1.415452     -3.688244      6.666670
  H      -2.209491     -4.511577      8.752028
  H      -3.498024     -4.482445      7.544837
  H      -2.014614     -7.011512      8.460759
  H      -3.326174     -6.968902      7.273611
  H      -2.865873     -5.418792     10.719263
  H      -4.577362     -5.595542     12.477496
  H      -7.593922     -8.881201     11.895553
  H      -9.406540     -8.934335     13.577306
  H      -9.851891     -6.942611     15.006990
  H      -8.467371     -4.887430     14.720669
  H      -6.675270     -4.823024     13.013165
  H      -7.028597     -7.974965      9.856618
  H      -5.309632     -7.805389      8.099943
  N      -2.879378     -2.442205      5.026130
  H      -2.845146     -1.556237      5.527753
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5679474-ZHfV/orca E -6457.435538455582
  N      -2.062144     -3.604199      2.413512
  C      -1.994938     -4.627233      1.375295
  C      -2.043140     -6.006516      2.012223
  N      -3.081441     -6.040477      3.064904
  C      -4.453033     -6.119800      2.515683
  C      -5.442379     -5.509199      3.501169
  N      -4.902444     -4.246541      4.016846
  Mo     -2.946598     -3.996727      4.161181
  N      -1.989404     -5.230647      5.428244
  C      -1.698602     -6.595077      5.014188
  C      -2.805136     -7.075856      4.082351
  H      -1.657902     -7.280898      5.876578
  H      -0.710493     -6.681390      4.511634
  H      -3.725053     -7.215591      4.668019
  H      -2.550608     -8.039950      3.598874
  H      -6.403701     -5.358250      2.978149
  H      -5.650154     -6.223839      4.325108
  H      -4.467071     -5.525289      1.591018
  H      -4.717544     -7.164423      2.260089
  H      -1.067020     -4.549769      0.779749
  H      -2.832930     -4.519464      0.653134
  H      -1.081833     -6.212535      2.501130
  H      -2.219182     -6.794661      1.254138
  C      -0.493093     -2.084049      1.186369
  C      -1.825961     -2.230573      1.931658
  C      -3.006971     -1.686231      1.111648
  C      -2.952494     -0.167653      0.863022
  C      -4.235427      0.343354      0.268596
  C      -5.320222      0.689312      1.090279
  C      -6.537441      1.092853      0.548983
  C      -6.723538      1.172200     -0.844214
  C      -8.014778      1.600943     -1.419896
  C      -8.068276      2.342394     -2.615815
  C      -9.287578      2.746132     -3.158254
  C     -10.487353      2.419922     -2.519253
  C     -10.451657      1.684655     -1.330848
  C      -9.232274      1.280145     -0.789144
  C      -5.633487      0.831936     -1.666836
  C      -4.418529      0.424925     -1.119993
  C      -6.611136     -2.602162      3.228120
  C      -5.927710     -3.267247      4.428659
  C      -6.979440     -3.868814      5.373963
  C      -6.386298     -4.515474      6.630419
  C      -7.436546     -5.126038      7.520577
  C      -8.199427     -6.218633      7.080357
  C      -9.175529     -6.792655      7.889211
  C      -9.425736     -6.305370      9.185085
  C     -10.425426     -6.950866     10.063289
  C     -10.689791     -8.329195      9.964884
  C     -11.620641     -8.945938     10.798927
  C     -12.307443     -8.200730     11.760233
  C     -12.056397     -6.831157     11.871526
  C     -11.129868     -6.214344     11.031899
  C      -8.665244     -5.209039      9.623681
  C      -7.696832     -4.630128      8.804116
  C      -0.126903     -5.394622      7.110895
  C      -1.500850     -4.812947      6.755543
  C      -2.533269     -5.005602      7.882218
  C      -2.893118     -6.452023      8.242018
  C      -3.911169     -6.548783      9.352569
  C      -3.714859     -5.906130     10.584736
  C      -4.683159     -5.949912     11.584727
  C      -5.888886     -6.648227     11.398320
  C      -6.954670     -6.623763     12.422774
  C      -7.799680     -7.728136     12.625801
  C      -8.829927     -7.681543     13.564110
  C      -9.036287     -6.530815     14.327305
  C      -8.202719     -5.425390     14.141085
  C      -7.176480     -5.470949     13.197959
  C      -6.066907     -7.326165     10.182333
  C      -5.100727     -7.267778      9.180318
  H       0.315100     -2.573507      1.748743
  H      -0.234351     -1.020439      1.080021
  H      -0.528108     -2.514904      0.173864
  H      -1.764413     -1.623194      2.849046
  H      -3.929713     -1.920908      1.663781
  H      -3.074835     -2.206022      0.140251
  H      -2.110585      0.073900      0.195703
  H      -2.760698      0.338747      1.824258
  H      -5.200813      0.651760      2.175943
  H      -7.352204      1.381363      1.215923
  H      -7.137860      2.626385     -3.110670
  H      -9.301313      3.328488     -4.081724
  H     -11.441731      2.736254     -2.943524
  H     -11.382075      1.415749     -0.826771
  H      -9.219749      0.683854      0.124879
  H      -5.749669      0.864757     -2.751984
  H      -3.592714      0.156801     -1.784273
  H      -7.171306     -3.329095      2.619367
  H      -5.867807     -2.117711      2.582761
  H      -7.327118     -1.835402      3.564434
  H      -5.373319     -2.492988      4.980845
  H      -7.586196     -4.612872      4.830172
  H      -7.680839     -3.070467      5.670367
  H      -5.807252     -3.766822      7.192967
  H      -5.665666     -5.291420      6.323891
  H      -8.025343     -6.627325      6.081521
  H      -9.761932     -7.630762      7.507394
  H     -10.134169     -8.930974      9.243621
  H     -11.799439    -10.019304     10.708659
  H     -13.032682     -8.683624     12.417543
  H     -12.589334     -6.236308     12.615838
  H     -10.957964     -5.140157     11.117737
  H      -8.800860     -4.834209     10.639580
  H      -7.104729     -3.792902      9.181589
  H       0.599623     -5.176058      6.315064
  H       0.239984     -4.935177      8.041304
  H      -0.144094     -6.482750      7.267427
  H      -1.370149     -3.722281      6.673615
  H      -2.155104     -4.492027      8.784254
  H      -3.449377     -4.473881      7.581429
  H      -1.979803     -6.997940      8.537164
  H      -3.296799     -6.964553      7.355066
  H      -2.790588     -5.351899     10.763476
  H      -4.500352     -5.438314     12.532021
  H      -7.644606     -8.635484     12.039442
  H      -9.485856     -8.544419     13.689918
  H      -9.849996     -6.490920     15.053350
  H      -8.363699     -4.514659     14.721447
  H      -6.552607     -4.590165     13.034885
  H      -7.003434     -7.851179      9.992327
  H      -5.290002     -7.764101      8.225258
  N      -2.725837     -2.455464      5.047516
  H      -2.622180     -1.581823      5.556793
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5679474-ZHfV/orca E -6457.435559478708
  N      -2.003512     -3.567140      2.399635
  C      -1.917526     -4.600075      1.376612
  C      -1.962607     -5.972956      2.028598
  N      -3.012400     -6.009657      3.068595
  C      -4.376010     -6.102197      2.505914
  C      -5.381677     -5.494322      3.476318
  N      -4.860874     -4.222999      3.986913
  Mo     -2.903826     -3.963606      4.150336
  N      -1.965677     -5.190985      5.462568
  C      -1.656194     -6.547027      5.046018
  C      -2.742752     -7.037348      4.094924
  H      -1.626787     -7.241982      5.902141
  H      -0.661244     -6.631620      4.557256
  H      -3.670701     -7.181746      4.666783
  H      -2.473970     -8.001185      3.619751
  H      -6.336355     -5.361512      2.937213
  H      -5.592253     -6.208460      4.299237
  H      -4.384033     -5.513088      1.577598
  H      -4.631342     -7.149232      2.253826
  H      -0.984724     -4.529170      0.788540
  H      -2.747200     -4.513245      0.641535
  H      -1.006011     -6.166120      2.532337
  H      -2.120664     -6.768154      1.274920
  C      -0.467235     -2.027357      1.159944
  C      -1.796389     -2.197213      1.909473
  C      -2.989632     -1.680816      1.088507
  C      -2.968418     -0.163154      0.838648
  C      -4.263091      0.319967      0.248216
  C      -5.354243      0.639051      1.071631
  C      -6.579592      1.020965      0.533238
  C      -6.768578      1.103991     -0.858679
  C      -8.068189      1.511732     -1.431130
  C      -8.136835      2.258757     -2.622157
  C      -9.363473      2.643554     -3.161363
  C     -10.556367      2.292397     -2.523681
  C     -10.505902      1.551086     -1.340075
  C      -9.278985      1.165703     -0.801871
  C      -5.673213      0.788785     -1.683198
  C      -4.450196      0.403191     -1.139274
  C      -6.612177     -2.657110      3.148303
  C      -5.893033     -3.244428      4.369257
  C      -6.918060     -3.807822      5.367597
  C      -6.301054     -4.327807      6.673559
  C      -7.331105     -4.904450      7.607595
  C      -8.019960     -6.080277      7.271214
  C      -8.980880     -6.623900      8.117511
  C      -9.299051     -6.013257      9.344498
  C     -10.307244     -6.604590     10.250807
  C     -10.498256     -7.997504     10.309807
  C     -11.449791     -8.559652     11.159370
  C     -12.234785     -7.742634     11.976731
  C     -12.053959     -6.358011     11.934204
  C     -11.104422     -5.797250     11.081460
  C      -8.614000     -4.833408      9.678671
  C      -7.650885     -4.294223      8.826779
  C      -0.170610     -5.352487      7.208890
  C      -1.537152     -4.782335      6.804698
  C      -2.611148     -5.014892      7.884406
  C      -2.960969     -6.479445      8.178577
  C      -4.015967     -6.640965      9.245601
  C      -3.865853     -6.055383     10.511861
  C      -4.850757     -6.179128     11.487509
  C      -6.030352     -6.903122     11.241701
  C      -7.099015     -6.988146     12.259523
  C      -7.879641     -8.147845     12.406106
  C      -8.896821     -8.213861     13.356938
  C      -9.161524     -7.119931     14.183463
  C      -8.395989     -5.958930     14.050228
  C      -7.377047     -5.894777     13.100281
  C      -6.172085     -7.509515      9.983296
  C      -5.186475     -7.373669      9.007094
  H       0.350481     -2.497901      1.724970
  H      -0.227985     -0.961057      1.043906
  H      -0.494946     -2.468417      0.151636
  H      -1.746984     -1.582097      2.822811
  H      -3.905885     -1.933634      1.643973
  H      -3.049424     -2.204494      0.118726
  H      -2.133397      0.096485      0.169838
  H      -2.785331      0.345891      1.800099
  H      -5.233751      0.594915      2.157084
  H      -7.399112      1.289098      1.202675
  H      -7.212067      2.562789     -3.115691
  H      -9.388271      3.230773     -4.081347
  H     -11.516563      2.593987     -2.945110
  H     -11.430505      1.262467     -0.836412
  H      -9.254860      0.564298      0.108561
  H      -5.790587      0.824409     -2.767970
  H      -3.619387      0.155170     -1.805090
  H      -7.165857     -3.428352      2.590237
  H      -5.890558     -2.193354      2.463151
  H      -7.338101     -1.888758      3.454621
  H      -5.345206     -2.430363      4.868906
  H      -7.501414     -4.611375      4.886857
  H      -7.644280     -3.014090      5.607718
  H      -5.758076     -3.510350      7.173471
  H      -5.544116     -5.092924      6.435213
  H      -7.797772     -6.578922      6.323959
  H      -9.512131     -7.527587      7.812763
  H      -9.872696     -8.650135      9.698387
  H     -11.572233     -9.644115     11.190972
  H     -12.978518     -8.181558     12.643970
  H     -12.661104     -5.707634     12.566734
  H     -10.990350     -4.712732     11.042665
  H      -8.804496     -4.356455     10.641402
  H      -7.116931     -3.388386      9.124272
  H       0.584928     -5.111038      6.447097
  H       0.152318     -4.907372      8.161298
  H      -0.179576     -6.443735      7.343432
  H      -1.420434     -3.688255      6.746352
  H      -2.279428     -4.523976      8.815175
  H      -3.522998     -4.488734      7.559395
  H      -2.049514     -7.020525      8.487798
  H      -3.318097     -6.964011      7.256274
  H      -2.957988     -5.492713     10.740198
  H      -4.695770     -5.722570     12.467172
  H      -7.675178     -9.013650     11.773784
  H      -9.492500     -9.123115     13.448032
  H      -9.964503     -7.168986     14.920806
  H      -8.600218     -5.092973     14.683088
  H      -6.802614     -4.973703     12.985195
  H      -7.093105     -8.043930      9.744087
  H      -5.341224     -7.824898      8.023790
  N      -2.648277     -2.415752      5.054637
  H      -2.526127     -1.546704      5.571784
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5679474-ZHfV/orca E -6457.436387219687
  N      -2.004238     -3.599111      2.402557
  C      -1.928332     -4.626666      1.372232
  C      -1.987819     -6.002164      2.014264
  N      -3.043119     -6.030367      3.049974
  C      -4.405537     -6.099032      2.478563
  C      -5.404027     -5.487510      3.451328
  N      -4.865977     -4.230550      3.977943
  Mo     -2.908020     -3.995053      4.146874
  N      -1.986526     -5.242589      5.442984
  C      -1.696958     -6.601882      5.017345
  C      -2.792152     -7.071266      4.069083
  H      -1.668871     -7.301232      5.869041
  H      -0.705710     -6.690077      4.523818
  H      -3.721806     -7.204783      4.640493
  H      -2.537835     -8.034941      3.587856
  H      -6.354654     -5.331830      2.912369
  H      -5.628175     -6.204386      4.267283
  H      -4.401459     -5.501516      1.556035
  H      -4.673860     -7.139639      2.216022
  H      -0.993224     -4.559406      0.788679
  H      -2.754158     -4.522994      0.636505
  H      -1.034594     -6.208268      2.519429
  H      -2.152754     -6.791401      1.256623
  C      -0.464045     -2.063499      1.160662
  C      -1.788027     -2.224872      1.919767
  C      -2.987403     -1.699360      1.112718
  C      -2.954722     -0.182003      0.862614
  C      -4.252877      0.312452      0.286983
  C      -5.327695      0.650752      1.123615
  C      -6.555638      1.045049      0.599572
  C      -6.762228      1.121120     -0.789962
  C      -8.064832      1.541503     -1.347432
  C      -8.139389      2.283339     -2.540913
  C      -9.368517      2.679937     -3.065988
  C     -10.556648      2.345635     -2.410721
  C     -10.499836      1.609522     -1.224219
  C      -9.270413      1.212432     -0.700193
  C      -5.682797      0.787525     -1.627559
  C      -4.456822      0.390581     -1.098092
  C      -6.570599     -2.613264      3.146627
  C      -5.886340     -3.239082      4.368291
  C      -6.938311     -3.809355      5.333110
  C      -6.358903     -4.379615      6.634250
  C      -7.417158     -4.987684      7.515261
  C      -8.099979     -6.144883      7.110198
  C      -9.075237     -6.727639      7.912310
  C      -9.413042     -6.177931      9.162571
  C     -10.414708     -6.830859     10.032801
  C     -10.581509     -8.227927     10.014928
  C     -11.515710     -8.853551     10.838408
  C     -12.305726     -8.097504     11.707400
  C     -12.152495     -6.708975     11.737936
  C     -11.220921     -6.084231     10.910008
  C      -8.741384     -5.010106      9.560670
  C      -7.764987     -4.429965      8.751632
  C      -0.156361     -5.439705      7.149124
  C      -1.518327     -4.838720      6.777588
  C      -2.572529     -5.036041      7.885334
  C      -2.949458     -6.485785      8.219351
  C      -3.969003     -6.592561      9.327185
  C      -3.760903     -5.970711     10.567669
  C      -4.718284     -6.030630     11.576084
  C      -5.928046     -6.722016     11.389576
  C      -6.978628     -6.713004     12.429665
  C      -7.828007     -7.815695     12.625016
  C      -8.839995     -7.781331     13.583279
  C      -9.023983     -6.645673     14.374434
  C      -8.185837     -5.542451     14.196075
  C      -7.177090     -5.575804     13.234049
  C      -6.123243     -7.372676     10.160685
  C      -5.164479     -7.301629      9.151518
  H       0.355562     -2.541269      1.716638
  H      -0.219228     -0.998289      1.047012
  H      -0.504042     -2.500269      0.151253
  H      -1.725393     -1.613613      2.834117
  H      -3.900371     -1.944039      1.678094
  H      -3.062171     -2.222744      0.144129
  H      -2.125694      0.069488      0.183431
  H      -2.755150      0.326776      1.820942
  H      -5.192002      0.614737      2.207697
  H      -7.362377      1.328625      1.278220
  H      -7.217567      2.573908     -3.048083
  H      -9.398648      3.262787     -3.988580
  H     -11.518748      2.656409     -2.821113
  H     -11.421124      1.334385     -0.707126
  H      -9.241194      0.615425      0.213154
  H      -5.814813      0.818093     -2.710842
  H      -3.638208      0.128778     -1.773708
  H      -7.128774     -3.361645      2.563182
  H      -5.828593     -2.148851      2.483703
  H      -7.286959     -1.838226      3.458070
  H      -5.333736     -2.446405      4.895209
  H      -7.525829     -4.588243      4.818650
  H      -7.655002     -3.009102      5.579547
  H      -5.824301     -3.586235      7.180235
  H      -5.601245     -5.141472      6.386805
  H      -7.856681     -6.601766      6.147138
  H      -9.594955     -7.620263      7.559113
  H      -9.947748     -8.834695      9.365916
  H     -11.617884     -9.940198     10.811445
  H     -13.034777     -8.586162     12.355983
  H     -12.765738     -6.105918     12.410182
  H     -11.125088     -4.997435     10.931961
  H      -8.947500     -4.580298     10.542162
  H      -7.236719     -3.539643      9.101550
  H       0.586603     -5.218003      6.369373
  H       0.198103     -4.998676      8.092106
  H      -0.187733     -6.529621      7.287831
  H      -1.375231     -3.749097      6.710089
  H      -2.202916     -4.538689      8.798069
  H      -3.480378     -4.492586      7.579182
  H      -2.041971     -7.043685      8.509175
  H      -3.352406     -6.980285      7.322084
  H      -2.833066     -5.423046     10.746519
  H      -4.522439     -5.540063     12.531636
  H      -7.689294     -8.712380     12.018434
  H      -9.499556     -8.641635     13.703848
  H      -9.822437     -6.616568     15.117690
  H      -8.327609     -4.643881     14.799806
  H      -6.548976     -4.696528     13.079327
  H      -7.065897     -7.887358      9.967831
  H      -5.362790     -7.782122      8.190121
  N      -2.646526     -2.458109      5.054314
  H      -2.521371     -1.591744      5.575981
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5679474-ZHfV/orca E -6457.436699411570
  N      -2.010036     -3.589292      2.408061
  C      -1.944735     -4.620105      1.379317
  C      -2.011358     -5.992356      2.024640
  N      -3.065323     -6.007577      3.063254
  C      -4.430915     -6.068906      2.495354
  C      -5.417821     -5.450797      3.474182
  N      -4.867401     -4.196584      3.992494
  Mo     -2.909333     -3.971226      4.153800
  N      -1.998957     -5.221378      5.446562
  C      -1.718769     -6.585272      5.024171
  C      -2.820041     -7.050088      4.083454
  H      -1.689301     -7.281064      5.878333
  H      -0.729403     -6.675319      4.528461
  H      -3.748643     -7.175175      4.658181
  H      -2.574184     -8.016190      3.603739
  H      -6.372764     -5.288636      2.945439
  H      -5.638351     -6.161708      4.296110
  H      -4.428272     -5.473401      1.571759
  H      -4.706127     -7.108488      2.236722
  H      -1.009313     -4.558750      0.795739
  H      -2.769985     -4.508932      0.644958
  H      -1.058084     -6.202770      2.527710
  H      -2.184128     -6.783704      1.271254
  C      -0.465527     -2.067194      1.154819
  C      -1.787105     -2.215494      1.919009
  C      -2.988313     -1.693212      1.112340
  C      -2.949902     -0.178768      0.845595
  C      -4.248074      0.312348      0.265015
  C      -5.320102      0.665945      1.098492
  C      -6.548579      1.053987      0.570355
  C      -6.756946      1.107999     -0.819807
  C      -8.060752      1.519954     -1.382081
  C      -8.135739      2.244815     -2.585640
  C      -9.365693      2.632590     -3.115741
  C     -10.552892      2.305653     -2.455105
  C     -10.495269      1.586231     -1.258445
  C      -9.264999      1.198065     -0.729357
  C      -5.679798      0.760192     -1.654163
  C      -4.453248      0.369782     -1.120694
  C      -6.573108     -2.546688      3.215540
  C      -5.877749     -3.204953      4.413901
  C      -6.916262     -3.791543      5.381802
  C      -6.311042     -4.423446      6.640871
  C      -7.354124     -5.034730      7.538270
  C      -8.100457     -6.143583      7.110563
  C      -9.078370     -6.712462      7.919783
  C      -9.348078     -6.202187      9.203208
  C     -10.361159     -6.834353     10.075300
  C     -10.610680     -8.217216     10.004464
  C     -11.563715     -8.820512     10.823202
  C     -12.289506     -8.055893     11.739758
  C     -12.049634     -6.682218     11.826796
  C     -11.099251     -6.079447     11.003944
  C      -8.601368     -5.091992      9.630457
  C      -7.629294     -4.519669      8.810767
  C      -0.158673     -5.419536      7.144918
  C      -1.521800     -4.817240      6.781866
  C      -2.575714     -5.019047      7.889526
  C      -2.952007     -6.469790      8.220144
  C      -3.981711     -6.581787      9.318432
  C      -3.785941     -5.973339     10.568162
  C      -4.758860     -6.036599     11.561869
  C      -5.967139     -6.725554     11.353972
  C      -7.029217     -6.733468     12.382550
  C      -7.856434     -7.853804     12.572842
  C      -8.872702     -7.841802     13.527051
  C      -9.088972     -6.707852     14.312685
  C      -8.276120     -5.585428     14.135864
  C      -7.258823     -5.598874     13.182330
  C      -6.144299     -7.370484     10.119879
  C      -5.174876     -7.288607      9.122407
  H       0.354613     -2.542996      1.711476
  H      -0.217937     -1.003514      1.032074
  H      -0.511485     -2.511878      0.149270
  H      -1.717911     -1.598376      2.828398
  H      -3.900110     -1.927919      1.683399
  H      -3.069041     -2.226957      0.150125
  H      -2.121264      0.062174      0.162109
  H      -2.747457      0.341242      1.797250
  H      -5.182751      0.646517      2.182801
  H      -7.353999      1.349164      1.245678
  H      -7.214419      2.528969     -3.097372
  H      -9.397040      3.202276     -4.046491
  H     -11.515596      2.609347     -2.869543
  H     -11.416128      1.317171     -0.737404
  H      -9.234583      0.613844      0.192241
  H      -5.813892      0.773699     -2.737581
  H      -3.636385      0.095752     -1.793583
  H      -7.146849     -3.276375      2.624090
  H      -5.838172     -2.072785      2.552175
  H      -7.277965     -1.773406      3.556619
  H      -5.312524     -2.428566      4.950736
  H      -7.531780     -4.539728      4.854778
  H      -7.609694     -2.986423      5.675574
  H      -5.738229     -3.663498      7.194647
  H      -5.583239     -5.195363      6.338876
  H      -7.914104     -6.566134      6.119548
  H      -9.656083     -7.559726      7.545722
  H     -10.029768     -8.832208      9.314916
  H     -11.732620     -9.896860     10.753323
  H     -13.034098     -8.527151     12.383525
  H     -12.611703     -6.072921     12.537062
  H     -10.938357     -5.001888     11.067608
  H      -8.755242     -4.695766     10.635638
  H      -7.050125     -3.668705      9.177694
  H       0.582129     -5.193808      6.364473
  H       0.197418     -4.981650      8.088956
  H      -0.189381     -6.509713      7.279352
  H      -1.378562     -3.728055      6.715988
  H      -2.204807     -4.522654      8.802421
  H      -3.484191     -4.476022      7.585518
  H      -2.045748     -7.027430      8.514161
  H      -3.348896     -6.963196      7.319753
  H      -2.854978     -5.437486     10.768566
  H      -4.573126     -5.557938     12.525385
  H      -7.690633     -8.750026     11.972492
  H      -9.506144     -8.720915     13.653084
  H      -9.890306     -6.696642     15.053340
  H      -8.442309     -4.688987     14.736481
  H      -6.649388     -4.706150     13.030523
  H      -7.079452     -7.892761      9.914885
  H      -5.360862     -7.763205      8.155614
  N      -2.644555     -2.434545      5.047870
  H      -2.518470     -1.565892      5.565035
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5679474-ZHfV/orca E -6457.437073176244
  N      -1.999890     -3.563389      2.415149
  C      -1.929358     -4.601482      1.394823
  C      -2.012519     -5.967864      2.049248
  N      -3.079864     -5.969105      3.074906
  C      -4.439208     -6.026321      2.490665
  C      -5.431242     -5.398005      3.456870
  N      -4.877861     -4.144037      3.969938
  Mo     -2.920226     -3.930514      4.154663
  N      -2.047033     -5.182797      5.473251
  C      -1.763567     -6.547152      5.054220
  C      -2.854566     -7.010183      4.102106
  H      -1.744256     -7.243902      5.908011
  H      -0.768757     -6.637741      4.570109
  H      -3.791057     -7.127420      4.665583
  H      -2.608164     -7.979317      3.629116
  H      -6.381300     -5.234349      2.919696
  H      -5.661914     -6.101524      4.282410
  H      -4.423595     -5.436265      1.563764
  H      -4.717095     -7.065912      2.235440
  H      -0.985318     -4.551318      0.823619
  H      -2.743058     -4.489621      0.647808
  H      -1.067067     -6.179403      2.566166
  H      -2.180050     -6.764288      1.300207
  C      -0.452707     -2.049112      1.157312
  C      -1.776608     -2.192645      1.917749
  C      -2.976496     -1.681643      1.101749
  C      -2.942809     -0.170124      0.820598
  C      -4.240510      0.307892      0.227368
  C      -5.319913      0.661926      1.050571
  C      -6.547684      1.036515      0.510773
  C      -6.746907      1.075742     -0.880949
  C      -8.050161      1.473555     -1.455897
  C      -8.121141      2.190086     -2.664346
  C      -9.350107      2.564615     -3.206407
  C     -10.539449      2.232061     -2.552724
  C     -10.485641      1.520654     -1.351232
  C      -9.256292      1.145847     -0.810202
  C      -5.662550      0.727013     -1.705067
  C      -4.436842      0.349832     -1.159996
  C      -6.585766     -2.494382      3.189194
  C      -5.883729     -3.146185      4.387541
  C      -6.915339     -3.723344      5.367661
  C      -6.295352     -4.348972      6.622181
  C      -7.325529     -4.946402      7.543208
  C      -8.080446     -6.060408      7.144392
  C      -9.048032     -6.613041      7.977214
  C      -9.296104     -6.081271      9.256514
  C     -10.304486     -6.688050     10.151379
  C     -10.566735     -8.069704     10.112096
  C     -11.521206     -8.645627     10.948899
  C     -12.235384     -7.853848     11.851771
  C     -11.979255     -6.481776     11.910357
  C     -11.027278     -5.906590     11.069987
  C      -8.538346     -4.968513      9.655511
  C      -7.578199     -4.411701      8.811931
  C      -0.210379     -5.364718      7.176536
  C      -1.580384     -4.778886      6.812583
  C      -2.636210     -5.010505      7.912848
  C      -2.986393     -6.473261      8.219649
  C      -4.016578     -6.629335      9.312271
  C      -3.831182     -6.057414     10.581054
  C      -4.802332     -6.171305     11.572260
  C      -5.996527     -6.878257     11.342926
  C      -7.051705     -6.953953     12.375616
  C      -7.833176     -8.110862     12.538166
  C      -8.836869     -8.169244     13.503708
  C      -9.090567     -7.068196     14.324372
  C      -8.326183     -5.908519     14.172476
  C      -7.317956     -5.853398     13.210690
  C      -6.163923     -7.482921     10.087766
  C      -5.197347     -7.349853      9.093268
  H       0.366645     -2.516058      1.722478
  H      -0.207962     -0.986165      1.023355
  H      -0.493698     -2.506014      0.157002
  H      -1.712350     -1.567568      2.821889
  H      -3.889194     -1.913743      1.671844
  H      -3.052349     -2.225716      0.145073
  H      -2.111534      0.068694      0.139585
  H      -2.748888      0.360236      1.768236
  H      -5.190200      0.651191      2.135914
  H      -7.359629      1.331903      1.178100
  H      -7.198167      2.478396     -3.170658
  H      -9.378876      3.128102     -4.140971
  H     -11.501346      2.525344     -2.976464
  H     -11.408301      1.247467     -0.835615
  H      -9.228242      0.567798      0.115315
  H      -5.789725      0.729022     -2.789379
  H      -3.613851      0.074570     -1.824821
  H      -7.165268     -3.226820      2.606905
  H      -5.856013     -2.025229      2.517222
  H      -7.286731     -1.718063      3.531218
  H      -5.313865     -2.367221      4.915455
  H      -7.539640     -4.472122      4.851778
  H      -7.601057     -2.912629      5.664264
  H      -5.712837     -3.585074      7.159713
  H      -5.573925     -5.125386      6.315610
  H      -7.910058     -6.498756      6.157371
  H      -9.635467     -7.463039      7.625129
  H      -9.996230     -8.704915      9.432145
  H     -11.701503     -9.721407     10.902820
  H     -12.981833     -8.303409     12.508760
  H     -12.531058     -5.851857     12.610593
  H     -10.855000     -4.829584     11.109756
  H      -8.676779     -4.555268     10.656098
  H      -6.991037     -3.556745      9.156230
  H       0.531463     -5.118571      6.403313
  H       0.133174     -4.932574      8.127863
  H      -0.225483     -6.456671      7.297817
  H      -1.452822     -3.687373      6.756135
  H      -2.277402     -4.519469      8.833450
  H      -3.552802     -4.480411      7.611401
  H      -2.070053     -7.018792      8.505121
  H      -3.370947     -6.957943      7.309079
  H      -2.907043     -5.517088     10.801417
  H      -4.623237     -5.724407     12.552183
  H      -7.636387     -8.982249     11.911219
  H      -9.427202     -9.079954     13.615096
  H      -9.881977     -7.112180     15.074400
  H      -8.521690     -5.037613     14.801167
  H      -6.744838     -4.933436     13.081381
  H      -7.089915     -8.014285      9.865736
  H      -5.375750     -7.795558      8.111449
  N      -2.641281     -2.392108      5.045148
  H      -2.509623     -1.524107      5.562262
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5679474-ZHfV/orca E -6457.437166505336
  N      -1.961188     -3.562698      2.408076
  C      -1.875080     -4.594783      1.384067
  C      -1.965384     -5.964787      2.030894
  N      -3.046859     -5.974349      3.041049
  C      -4.396109     -6.025973      2.434470
  C      -5.404285     -5.404674      3.388722
  N      -4.857285     -4.157656      3.925366
  Mo     -2.900671     -3.946234      4.137933
  N      -2.058690     -5.212181      5.470563
  C      -1.761090     -6.568499      5.037234
  C      -2.836114     -7.024488      4.062453
  H      -1.748682     -7.278306      5.880484
  H      -0.759695     -6.648711      4.564271
  H      -3.781084     -7.148728      4.610416
  H      -2.580791     -7.988777      3.583754
  H      -6.344540     -5.234712      2.835451
  H      -5.651300     -6.118070      4.201123
  H      -4.363828     -5.427792      1.513171
  H      -4.670429     -7.063074      2.165284
  H      -0.923346     -4.542565      0.825279
  H      -2.678392     -4.481841      0.625324
  H      -1.027409     -6.177047      2.560976
  H      -2.120166     -6.757752      1.275279
  C      -0.433033     -2.024620      1.156114
  C      -1.753554     -2.188345      1.919172
  C      -2.960679     -1.681703      1.110857
  C      -2.944062     -0.167698      0.843370
  C      -4.248794      0.302312      0.259992
  C      -5.329155      0.634633      1.090868
  C      -6.561945      1.005045      0.559802
  C      -6.765653      1.061468     -0.830541
  C      -8.073571      1.457839     -1.396014
  C      -8.153445      2.193364     -2.592418
  C      -9.386690      2.568061     -3.124618
  C     -10.571594      2.216882     -2.472767
  C     -10.509022      1.486588     -1.283167
  C      -9.275399      1.111542     -0.752048
  C      -5.681087      0.732597     -1.662533
  C      -4.450357      0.359285     -1.126173
  C      -6.572642     -2.525986      3.136656
  C      -5.867546     -3.164534      4.339752
  C      -6.900755     -3.739656      5.321739
  C      -6.288059     -4.334650      6.595871
  C      -7.322374     -4.930907      7.512497
  C      -8.047187     -6.069756      7.128101
  C      -9.010279     -6.628835      7.961760
  C      -9.288521     -6.074778      9.224973
  C     -10.289564     -6.689982     10.122523
  C     -10.512369     -8.079010     10.112350
  C     -11.456263     -8.663229     10.955234
  C     -12.198821     -7.872761     11.835768
  C     -11.985571     -6.492550     11.862184
  C     -11.044918     -5.909003     11.014947
  C      -8.567111     -4.931857      9.606098
  C      -7.606908     -4.372837      8.764256
  C      -0.237692     -5.417885      7.184504
  C      -1.599963     -4.818089      6.812947
  C      -2.662699     -5.035218      7.910554
  C      -3.037792     -6.491347      8.216680
  C      -4.064945     -6.628294      9.313835
  C      -3.863501     -6.051782     10.577546
  C      -4.824767     -6.154460     11.579437
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  C      -7.074607     -6.905466     12.405502
  C      -7.883869     -8.043230     12.563905
  C      -8.882021     -8.084260     13.535953
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  C      -8.299346     -5.848614     14.229534
  C      -7.301673     -5.808323     13.256017
  C      -6.220932     -7.443251     10.106959
  C      -5.259957     -7.328189      9.104402
  H       0.392650     -2.485382      1.717274
  H      -0.200197     -0.958515      1.026526
  H      -0.470781     -2.477599      0.153776
  H      -1.693709     -1.569891      2.828430
  H      -3.868919     -1.928172      1.682495
  H      -3.034623     -2.218282      0.149752
  H      -2.117786      0.087072      0.162060
  H      -2.752664      0.355267      1.795600
  H      -5.196217      0.609387      2.175523
  H      -7.374349      1.283933      1.233573
  H      -7.234066      2.496624     -3.096470
  H      -9.422297      3.146578     -4.049683
  H     -11.536807      2.510536     -2.888578
  H     -11.428085      1.199008     -0.768994
  H      -9.240405      0.519441      0.164250
  H      -5.811510      0.748255     -2.746313
  H      -3.626757      0.100822     -1.796899
  H      -7.144031     -3.267787      2.557624
  H      -5.845684     -2.053754      2.463112
  H      -7.281400     -1.754096      3.472525
  H      -5.303465     -2.377884      4.863000
  H      -7.511754     -4.503414      4.811719
  H      -7.598950     -2.933150      5.599054
  H      -5.724872     -3.552429      7.128830
  H      -5.549702     -5.104061      6.315102
  H      -7.850529     -6.527515      6.154867
  H      -9.568528     -7.503974      7.623717
  H      -9.917181     -8.712672      9.452437
  H     -11.603726     -9.744790     10.933785
  H     -12.935835     -8.329131     12.498721
  H     -12.560145     -5.863362     12.544538
  H     -10.904102     -4.827010     11.031301
  H      -8.726839     -4.501634     10.595998
  H      -7.043216     -3.498071      9.097829
  H       0.511250     -5.174845      6.416984
  H       0.103932     -4.994046      8.140205
  H      -0.263578     -6.510506      7.299570
  H      -1.460746     -3.727990      6.757444
  H      -2.299102     -4.551379      8.833290
  H      -3.570121     -4.490484      7.608246
  H      -2.130050     -7.052045      8.500144
  H      -3.433196     -6.969028      7.307176
  H      -2.935061     -5.514407     10.783889
  H      -4.633518     -5.703471     12.555363
  H      -7.720176     -8.909962     11.921040
  H      -9.501293     -8.976935     13.637140
  H      -9.882293     -7.017639     15.129181
  H      -8.465041     -4.980079     14.869955
  H      -6.703483     -4.903491     13.131721
  H      -7.160725     -7.954000      9.892144
  H      -5.454573     -7.769575      8.123738
  N      -2.611812     -2.415335      5.048456
  H      -2.477843     -1.554861      5.577957
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5679474-ZHfV/orca E -6457.437253800853
  N      -1.951717     -3.557489      2.410789
  C      -1.860802     -4.591210      1.388756
  C      -1.957650     -5.959804      2.037541
  N      -3.045102     -5.965590      3.041464
  C      -4.390649     -6.014990      2.425802
  C      -5.403368     -5.389946      3.372877
  N      -4.854707     -4.145220      3.912989
  Mo     -2.898897     -3.937327      4.137427
  N      -2.078224     -5.205276      5.479935
  C      -1.774223     -6.560802      5.047044
  C      -2.842092     -7.016635      4.064033
  H      -1.765031     -7.271515      5.889632
  H      -0.769403     -6.637014      4.580619
  H      -3.790966     -7.141160      4.605172
  H      -2.583540     -7.980644      3.586414
  H      -6.340075     -5.216634      2.814461
  H      -5.657816     -6.102351      4.184147
  H      -4.350684     -5.417924      1.504117
  H      -4.665127     -7.051896      2.155838
  H      -0.904885     -4.541591      0.836510
  H      -2.658398     -4.477111      0.624068
  H      -1.023327     -6.172026      2.574018
  H      -2.108996     -6.754646      1.283027
  C      -0.430085     -2.019491      1.150862
  C      -1.747718     -2.183335      1.918553
  C      -2.957696     -1.679039      1.112878
  C      -2.942330     -0.166017      0.839000
  C      -4.248416      0.300700      0.255714
  C      -5.327508      0.635784      1.087124
  C      -6.561841      1.002027      0.556673
  C      -6.768028      1.051664     -0.833573
  C      -8.077662      1.443472     -1.398424
  C      -8.160633      2.175523     -2.596794
  C      -9.395528      2.545920     -3.128341
  C     -10.578715      2.193627     -2.473889
  C     -10.512992      1.466673     -1.282374
  C      -9.277752      1.095948     -0.751822
  C      -5.684593      0.720544     -1.666245
  C      -4.452357      0.351213     -1.130454
  C      -6.571078     -2.506793      3.136786
  C      -5.863668     -3.153226      4.334106
  C      -6.896366     -3.731405      5.315446
  C      -6.280529     -4.349386      6.576586
  C      -7.314129     -4.933078      7.502322
  C      -8.080556     -6.042597      7.112907
  C      -9.043051     -6.587990      7.956578
  C      -9.275886     -6.051703      9.236458
  C     -10.269305     -6.658322     10.148301
  C     -10.535099     -8.039280     10.112778
  C     -11.468084     -8.615302     10.973164
  C     -12.155266     -7.825122     11.897634
  C     -11.899954     -6.452903     11.948565
  C     -10.971196     -5.877012     11.083146
  C      -8.512176     -4.938498      9.622987
  C      -7.555946     -4.390217      8.769720
  C      -0.247082     -5.387649      7.188033
  C      -1.619651     -4.808242      6.822219
  C      -2.674678     -5.041570      7.923469
  C      -3.020488     -6.502776      8.237787
  C      -4.051876     -6.652001      9.329036
  C      -3.876778     -6.054622     10.586946
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  C      -6.035733     -6.881578     11.356794
  C      -7.097197     -6.942310     12.383362
  C      -7.891488     -8.090307     12.542653
  C      -8.910111     -8.132153     13.493134
  C      -9.156510     -7.027224     14.310783
  C      -8.375427     -5.878065     14.165623
  C      -7.359192     -5.835981     13.211462
  C      -6.198073     -7.502726     10.109146
  C      -5.228494     -7.380941      9.116128
  H       0.398671     -2.475292      1.711565
  H      -0.200735     -0.953238      1.015648
  H      -0.469711     -2.477292      0.150775
  H      -1.685568     -1.563359      2.826715
  H      -3.863904     -1.923632      1.688603
  H      -3.034837     -2.219308      0.154068
  H      -2.117499      0.086589      0.155109
  H      -2.749699      0.361384      1.788550
  H      -5.192603      0.615551      2.171589
  H      -7.373506      1.282625      1.230634
  H      -7.242595      2.479347     -3.102942
  H      -9.433806      3.121849     -4.054926
  H     -11.545185      2.483889     -2.889226
  H     -11.430755      1.178338     -0.766297
  H      -9.240086      0.506469      0.166053
  H      -5.817176      0.731045     -2.749846
  H      -3.629746      0.090475     -1.801494
  H      -7.144826     -3.244212      2.554533
  H      -5.846001     -2.030240      2.464403
  H      -7.278451     -1.736590      3.479860
  H      -5.296836     -2.370388      4.860039
  H      -7.518108     -4.482690      4.799846
  H      -7.584891     -2.921583      5.607253
  H      -5.694998     -3.583493      7.109377
  H      -5.561152     -5.130381      6.278996
  H      -7.918071     -6.487708      6.127591
  H      -9.633141     -7.440868      7.615607
  H      -9.981133     -8.674231      9.419046
  H     -11.648819     -9.691249     10.931943
  H     -12.882665     -8.275643     12.575076
  H     -12.431358     -5.823951     12.665259
  H     -10.796518     -4.800525     11.120336
  H      -8.635128     -4.525230     10.625334
  H      -6.959237     -3.539177      9.107141
  H       0.495891     -5.129070      6.419789
  H       0.090056     -4.962496      8.144849
  H      -0.255216     -6.481064      7.298323
  H      -1.497019     -3.716196      6.766884
  H      -2.317885     -4.547208      8.843470
  H      -3.593165     -4.515579      7.621850
  H      -2.102713     -7.041830      8.530883
  H      -3.400626     -6.995608      7.329815
  H      -2.964045     -5.491656     10.794913
  H      -4.680355     -5.690590     12.549146
  H      -7.702855     -8.962576     11.914364
  H      -9.520399     -9.031436     13.591721
  H      -9.959692     -7.057493     15.048835
  H      -8.568577     -5.002512     14.788558
  H      -6.773354     -4.923458     13.084479
  H      -7.124361     -8.035625      9.891037
  H      -5.403022     -7.838397      8.139120
  N      -2.606826     -2.406321      5.044048
  H      -2.474445     -1.545958      5.573899
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5679474-ZHfV/orca E -6457.437415862156
  N      -1.951355     -3.548978      2.415529
  C      -1.860041     -4.584755      1.395029
  C      -1.968592     -5.951783      2.044753
  N      -3.061257     -5.948794      3.043522
  C      -4.404636     -5.989142      2.422113
  C      -5.415227     -5.359187      3.367580
  N      -4.858586     -4.119439      3.910015
  Mo     -2.902759     -3.921479      4.140470
  N      -2.106258     -5.196266      5.486672
  C      -1.809408     -6.555034      5.056620
  C      -2.872705     -7.002661      4.065980
  H      -1.810864     -7.264488      5.900448
  H      -0.801634     -6.636534      4.598140
  H      -3.826275     -7.121347      4.599838
  H      -2.617351     -7.967585      3.589257
  H      -6.349853     -5.177943      2.808940
  H      -5.675966     -6.070193      4.178199
  H      -4.357973     -5.391663      1.501146
  H      -4.684034     -7.024129      2.150619
  H      -0.900171     -4.540535      0.849526
  H      -2.651460     -4.465154      0.625186
  H      -1.038139     -6.168485      2.586287
  H      -2.121061     -6.747299      1.291275
  C      -0.428957     -2.016351      1.149155
  C      -1.745014     -2.175051      1.919946
  C      -2.955660     -1.671142      1.114885
  C      -2.936615     -0.159854      0.831376
  C      -4.241787      0.305285      0.244036
  C      -5.320927      0.646936      1.072662
  C      -6.555667      1.007504      0.539122
  C      -6.761565      1.045233     -0.851536
  C      -8.072288      1.428492     -1.419742
  C      -8.156966      2.150521     -2.624031
  C      -9.393005      2.511746     -3.159330
  C     -10.575210      2.159688     -2.502868
  C     -10.507631      1.442385     -1.305575
  C      -9.271277      1.080907     -0.771174
  C      -5.677535      0.709397     -1.681510
  C      -4.444966      0.345564     -1.142586
  C      -6.576769     -2.465010      3.166328
  C      -5.863289     -3.130386      4.349895
  C      -6.890203     -3.721824      5.328770
  C      -6.267020     -4.366326      6.572452
  C      -7.296953     -4.956773      7.498584
  C      -8.082626     -6.047704      7.095598
  C      -9.052639     -6.588417      7.933760
  C      -9.273758     -6.066509      9.221656
  C     -10.283977     -6.661056     10.123467
  C     -10.583509     -8.034668     10.069887
  C     -11.536486     -8.597236     10.917385
  C     -12.211512     -7.800731     11.845408
  C     -11.921687     -6.436298     11.915224
  C     -10.972008     -5.873889     11.063882
  C      -8.484691     -4.977062      9.625150
  C      -7.521128     -4.432950      8.777385
  C      -0.257528     -5.377779      7.177282
  C      -1.633786     -4.799104      6.825375
  C      -2.679321     -5.037928      7.932888
  C      -3.024321     -6.500499      8.241779
  C      -4.048260     -6.652712      9.340094
  C      -3.858155     -6.070589     10.602905
  C      -4.823051     -6.180468     11.600939
  C      -6.017813     -6.888148     11.381040
  C      -7.069691     -6.957450     12.417634
  C      -7.867620     -8.104315     12.569288
  C      -8.871766     -8.157717     13.534260
  C      -9.102315     -7.064495     14.372069
  C      -8.319881     -5.915667     14.232895
  C      -7.316310     -5.862736     13.265878
  C      -6.193162     -7.497928     10.129194
  C      -5.230936     -7.372738      9.129561
  H       0.401159     -2.468784      1.710563
  H      -0.200155     -0.950798      1.007605
  H      -0.470929     -2.479632      0.151800
  H      -1.679493     -1.552819      2.826362
  H      -3.861343     -1.909876      1.693856
  H      -3.036514     -2.216830      0.159446
  H      -2.111188      0.086546      0.145975
  H      -2.743318      0.373870      1.777298
  H      -5.186323      0.635296      2.157322
  H      -7.368126      1.291927      1.210584
  H      -7.239683      2.453294     -3.132257
  H      -9.433032      3.079958     -4.090614
  H     -11.542561      2.442549     -2.921321
  H     -11.424700      1.154177     -0.788173
  H      -9.231764      0.498458      0.151164
  H      -5.810332      0.710559     -2.765178
  H      -3.622296      0.079321     -1.811412
  H      -7.155577     -3.191904      2.576484
  H      -5.855820     -1.978543      2.496971
  H      -7.280816     -1.699212      3.525896
  H      -5.292180     -2.356438      4.883796
  H      -7.519758     -4.460154      4.804249
  H      -7.572183     -2.913850      5.640825
  H      -5.670488     -3.614093      7.112144
  H      -5.556506     -5.148119      6.254518
  H      -7.935683     -6.476503      6.100661
  H      -9.662898     -7.421218      7.579213
  H     -10.042879     -8.674758      9.370352
  H     -11.744602     -9.667552     10.861388
  H     -12.955041     -8.240833     12.512112
  H     -12.442446     -5.802710     12.635595
  H     -10.772207     -4.802319     11.114210
  H      -8.598580     -4.575940     10.633642
  H      -6.910303     -3.596169      9.124960
  H       0.479163     -5.113468      6.405046
  H       0.085780     -4.956965      8.133823
  H      -0.263001     -6.471706      7.281931
  H      -1.513654     -3.706811      6.771175
  H      -2.313093     -4.548840      8.851721
  H      -3.600205     -4.509263      7.642879
  H      -2.105055     -7.042672      8.524468
  H      -3.412759     -6.988013      7.334310
  H      -2.937640     -5.520220     10.811044
  H      -4.641968     -5.723521     12.575874
  H      -7.689331     -8.968631     11.927411
  H      -9.483148     -9.056536     13.627926
  H      -9.893979     -7.103756     15.122141
  H      -8.500286     -5.049612     14.872725
  H      -6.728527     -4.950822     13.145315
  H      -7.122298     -8.027274      9.915576
  H      -5.414967     -7.821984      8.150517
  N      -2.603361     -2.391898      5.039686
  H      -2.471719     -1.531176      5.569193
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5679474-ZHfV/orca E -6457.437536099606
  N      -1.928434     -3.537715      2.420593
  C      -1.824571     -4.569125      1.397238
  C      -1.941186     -5.938759      2.040040
  N      -3.045637     -5.940110      3.025610
  C      -4.381581     -5.973615      2.388200
  C      -5.401292     -5.348981      3.327100
  N      -4.847005     -4.115604      3.885294
  Mo     -2.892756     -3.921036      4.137628
  N      -2.127558     -5.209412      5.489699
  C      -1.823429     -6.564129      5.050807
  C      -2.872172     -7.002924      4.041411
  H      -1.834988     -7.281605      5.887736
  H      -0.809615     -6.639909      4.605010
  H      -3.833236     -7.126459      4.560480
  H      -2.610115     -7.963517      3.559893
  H      -6.329047     -5.160730      2.759381
  H      -5.673498     -6.065867      4.128764
  H      -4.323279     -5.369504      1.472263
  H      -4.659276     -7.006079      2.105982
  H      -0.857685     -4.523398      0.864256
  H      -2.605634     -4.445827      0.617421
  H      -1.017478     -6.157394      2.592396
  H      -2.084211     -6.731426      1.281798
  C      -0.418794     -1.990696      1.156763
  C      -1.731693     -2.160666      1.930404
  C      -2.947753     -1.661848      1.130150
  C      -2.937846     -0.150583      0.847031
  C      -4.246865      0.306495      0.261828
  C      -5.326480      0.642009      1.092229
  C      -6.564626      0.994038      0.560835
  C      -6.773366      1.029136     -0.829388
  C      -8.087900      1.402751     -1.395400
  C      -8.179816      2.124950     -2.598981
  C      -9.419414      2.476969     -3.132208
  C     -10.597832      2.115216     -2.474281
  C     -10.523016      1.397582     -1.277658
  C      -9.283103      1.045376     -0.745284
  C      -5.688749      0.700124     -1.661229
  C      -4.452802      0.344687     -1.124408
  C      -6.569480     -2.465233      3.142793
  C      -5.854149     -3.129330      4.326119
  C      -6.880279     -3.723038      5.304811
  C      -6.256517     -4.358610      6.552544
  C      -7.284786     -4.946664      7.482107
  C      -8.065681     -6.043907      7.087378
  C      -9.034071     -6.581771      7.929266
  C      -9.258514     -6.050342      9.212560
  C     -10.270312     -6.638925     10.116551
  C     -10.570918     -8.012576     10.071157
  C     -11.527440     -8.568548     10.919053
  C     -12.204640     -7.765436     11.839657
  C     -11.913370     -6.400950     11.901822
  C     -10.960725     -5.844998     11.049574
  C      -8.472963     -4.955504      9.608538
  C      -7.510941     -4.414475      8.757188
  C      -0.272670     -5.405401      7.171705
  C      -1.648253     -4.819976      6.828488
  C      -2.690233     -5.059517      7.939147
  C      -3.045574     -6.521055      8.241800
  C      -4.068417     -6.669381      9.341779
  C      -3.870094     -6.094368     10.606415
  C      -4.833975     -6.198660     11.605986
  C      -6.036126     -6.893459     11.385804
  C      -7.085555     -6.957181     12.425455
  C      -7.893815     -8.097224     12.575030
  C      -8.892380     -8.146903     13.545986
  C      -9.107971     -7.056099     14.390928
  C      -8.315416     -5.914097     14.253833
  C      -7.316642     -5.865278     13.281654
  C      -6.220755     -7.495246     10.131149
  C      -5.259028     -7.376206      9.130279
  H       0.416470     -2.436387      1.715949
  H      -0.199196     -0.923307      1.014969
  H      -0.459365     -2.454197      0.159438
  H      -1.667998     -1.541620      2.839214
  H      -3.850191     -1.905812      1.712077
  H      -3.029191     -2.207486      0.174720
  H      -2.115198      0.100916      0.160181
  H      -2.746188      0.384337      1.792615
  H      -5.189646      0.632188      2.176624
  H      -7.377676      1.273550      1.233624
  H      -7.265585      2.435056     -3.108257
  H      -9.465278      3.045525     -4.062999
  H     -11.567953      2.390874     -2.891106
  H     -11.437088      1.101890     -0.759197
  H      -9.237590      0.462609      0.176566
  H      -5.823680      0.699856     -2.744620
  H      -3.629661      0.083359     -1.794577
  H      -7.146093     -3.193234      2.552307
  H      -5.850381     -1.975460      2.473808
  H      -7.275883     -1.701969      3.502997
  H      -5.285685     -2.353730      4.860361
  H      -7.505383     -4.465755      4.781182
  H      -7.566458     -2.917151      5.612885
  H      -5.664274     -3.600256      7.088226
  H      -5.541830     -5.138902      6.240838
  H      -7.916349     -6.480194      6.096069
  H      -9.640994     -7.419544      7.580695
  H     -10.029467     -8.657641      9.376824
  H     -11.736804     -9.638918     10.869050
  H     -12.950769     -8.200521     12.506732
  H     -12.435847     -5.762126     12.616305
  H     -10.760861     -4.773132     11.092912
  H      -8.588741     -4.547068     10.613866
  H      -6.903073     -3.573125      9.098891
  H       0.462582     -5.136237      6.399726
  H       0.074553     -4.994275      8.131003
  H      -0.281167     -6.500240      7.266317
  H      -1.524653     -3.728099      6.778701
  H      -2.316058     -4.578570      8.859015
  H      -3.608674     -4.522677      7.657550
  H      -2.129872     -7.071674      8.519655
  H      -3.440246     -7.001153      7.333252
  H      -2.943638     -5.554042     10.814765
  H      -4.645911     -5.748301     12.582642
  H      -7.726020     -8.960366     11.928745
  H      -9.510103     -9.041405     13.639587
  H      -9.894902     -7.092391     15.146103
  H      -8.483673     -5.050216     14.899859
  H      -6.720555     -4.958505     13.163127
  H      -7.156174     -8.013333      9.917158
  H      -5.449591     -7.819046      8.149576
  N      -2.587790     -2.397746      5.045423
  H      -2.460231     -1.541396      5.583357
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5679474-ZHfV/orca E -6457.437649382156
  N      -1.912500     -3.529467      2.427689
  C      -1.790019     -4.556237      1.402270
  C      -1.921787     -5.928879      2.036546
  N      -3.043121     -5.934020      3.002033
  C      -4.368254     -5.953070      2.342482
  C      -5.399091     -5.333822      3.272672
  N      -4.844913     -4.111579      3.853508
  Mo     -2.891913     -3.926445      4.136377
  N      -2.178344     -5.237817      5.495882
  C      -1.868409     -6.588195      5.045845
  C      -2.895045     -7.009970      4.007474
  H      -1.900686     -7.316087      5.873368
  H      -0.845341     -6.661802      4.621170
  H      -3.867938     -7.138601      4.502699
  H      -2.624456     -7.964830      3.519409
  H      -6.316574     -5.133261      2.692431
  H      -5.688990     -6.058591      4.061212
  H      -4.292133     -5.338774      1.434717
  H      -4.646149     -6.980900      2.043942
  H      -0.812090     -4.511307      0.889328
  H      -2.554147     -4.427401      0.606496
  H      -1.009122     -6.151543      2.605688
  H      -2.051535     -6.717998      1.272093
  C      -0.415708     -1.969366      1.165299
  C      -1.723748     -2.149212      1.944910
  C      -2.945170     -1.650089      1.152917
  C      -2.936005     -0.139893      0.864421
  C      -4.246324      0.314861      0.280535
  C      -5.322598      0.658592      1.111921
  C      -6.562373      1.007319      0.582222
  C      -6.776119      1.031171     -0.807472
  C      -8.092613      1.400140     -1.371797
  C      -8.189000      2.115169     -2.579314
  C      -9.430586      2.462604     -3.110860
  C     -10.606624      2.103349     -2.447333
  C     -10.527380      1.392870     -1.246747
  C      -9.285495      1.045314     -0.715966
  C      -5.694500      0.695347     -1.640507
  C      -4.457068      0.342940     -1.105240
  C      -6.572293     -2.462276      3.116800
  C      -5.854169     -3.128940      4.297300
  C      -6.880233     -3.728290      5.273098
  C      -6.256702     -4.354432      6.524992
  C      -7.282685     -4.948772      7.453200
  C      -8.048062     -6.057886      7.062098
  C      -9.009488     -6.606061      7.905282
  C      -9.243024     -6.073180      9.186050
  C     -10.245850     -6.674795     10.091552
  C     -10.528573     -8.052293     10.047072
  C     -11.474611     -8.621147     10.898171
  C     -12.158647     -7.827689     11.821806
  C     -11.886046     -6.459190     11.882539
  C     -10.944552     -5.890268     11.026430
  C      -8.474040     -4.964963      9.578133
  C      -7.518431     -4.414231      8.725813
  C      -0.297413     -5.447378      7.150451
  C      -1.676681     -4.857649      6.830190
  C      -2.702195     -5.099726      7.954696
  C      -3.060989     -6.559970      8.260701
  C      -4.078518     -6.696902      9.367235
  C      -3.870764     -6.111530     10.625244
  C      -4.833319     -6.194023     11.627943
  C      -6.044421     -6.875777     11.417496
  C      -7.095505     -6.905178     12.457112
  C      -7.928650     -8.025501     12.620526
  C      -8.929783     -8.040317     13.590162
  C      -9.122486     -6.934146     14.420530
  C      -8.304486     -5.812099     14.270375
  C      -7.303816     -5.797744     13.299113
  C      -6.238104     -7.490391     10.169960
  C      -5.276723     -7.394469      9.166269
  H       0.425675     -2.408743      1.720347
  H      -0.204575     -0.900485      1.022225
  H      -0.457652     -2.433523      0.168282
  H      -1.657939     -1.535428      2.857454
  H      -3.843641     -1.892334      1.741554
  H      -3.033836     -2.198095      0.199377
  H      -2.115475      0.108605      0.173977
  H      -2.741467      0.399158      1.807072
  H      -5.181538      0.658443      2.195779
  H      -7.372763      1.293109      1.255557
  H      -7.276535      2.423190     -3.092970
  H      -9.480009      3.025647     -4.044816
  H     -11.578297      2.375452     -2.862849
  H     -11.439599      1.099226     -0.723888
  H      -9.236258      0.468094      0.209152
  H      -5.833264      0.687431     -2.723374
  H      -3.636367      0.076050     -1.776213
  H      -7.148419     -3.188824      2.524228
  H      -5.855303     -1.968337      2.448734
  H      -7.279717     -1.701402      3.479992
  H      -5.288486     -2.352993      4.834147
  H      -7.496683     -4.477035      4.747708
  H      -7.574497     -2.927569      5.576591
  H      -5.674229     -3.588298      7.060385
  H      -5.532960     -5.128398      6.219363
  H      -7.889692     -6.498175      6.073985
  H      -9.602184     -7.455295      7.559880
  H      -9.981167     -8.690183      9.350812
  H     -11.669835     -9.694214     10.848574
  H     -12.895955     -8.273135     12.491823
  H     -12.414447     -5.827459     12.598988
  H     -10.759324     -4.815782     11.069337
  H      -8.594527     -4.555743     10.582556
  H      -6.920932     -3.564879      9.066043
  H       0.428656     -5.169639      6.372730
  H       0.062141     -5.048112      8.110218
  H      -0.306045     -6.543256      7.232058
  H      -1.552203     -3.765986      6.784848
  H      -2.312096     -4.623373      8.870375
  H      -3.622577     -4.558293      7.689826
  H      -2.146040     -7.114116      8.534038
  H      -3.464151     -7.039894      7.356022
  H      -2.939063     -5.576859     10.824383
  H      -4.638413     -5.733740     12.598637
  H      -7.778652     -8.900821     11.986270
  H      -9.567314     -8.919664     13.694183
  H      -9.910738     -6.943236     15.175143
  H      -8.454488     -4.936497     14.905015
  H      -6.688782     -4.905315     13.168874
  H      -7.181148     -7.997433      9.962759
  H      -5.474738     -7.844663      8.190444
  N      -2.569018     -2.412748      5.052140
  H      -2.449770     -1.562738      5.602247
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5679474-ZHfV/orca E -6457.437700992326
  N      -1.900304     -3.517409      2.431047
  C      -1.766560     -4.545826      1.409106
  C      -1.907996     -5.917405      2.043759
  N      -3.040238     -5.920532      2.995816
  C      -4.358512     -5.931441      2.322151
  C      -5.395137     -5.311563      3.245324
  N      -4.840128     -4.094079      3.834226
  Mo     -2.888163     -3.915711      4.136442
  N      -2.211843     -5.237673      5.505506
  C      -1.897881     -6.587112      5.054042
  C      -2.909363     -7.001147      3.998650
  H      -1.945793     -7.318190      5.878079
  H      -0.868419     -6.662078      4.645607
  H      -3.889978     -7.130629      4.478162
  H      -2.633146     -7.954355      3.510759
  H      -6.306771     -5.105625      2.657809
  H      -5.694562     -6.037165      4.029456
  H      -4.271082     -5.313977      1.417712
  H      -4.637285     -6.957054      2.016936
  H      -0.781657     -4.504074      0.909311
  H      -2.519401     -4.416789      0.602679
  H      -1.002653     -6.140230      2.624577
  H      -2.029086     -6.707489      1.278855
  C      -0.410961     -1.953641      1.163939
  C      -1.716030     -2.137197      1.947638
  C      -2.941965     -1.643339      1.159295
  C      -2.935916     -0.135386      0.859997
  C      -4.248645      0.312337      0.276145
  C      -5.322275      0.664746      1.107264
  C      -6.563989      1.007157      0.577897
  C      -6.782361      1.015478     -0.811206
  C      -8.100886      1.377469     -1.375335
  C      -8.201579      2.080150     -2.589669
  C      -9.445089      2.420957     -3.120961
  C     -10.618728      2.067372     -2.450239
  C     -10.535176      1.369241     -1.242747
  C      -9.291358      1.028271     -0.712243
  C      -5.703425      0.670938     -1.644063
  C      -4.464099      0.324959     -1.109089
  C      -6.573282     -2.443744      3.107952
  C      -5.847528     -3.112127      4.282999
  C      -6.866091     -3.712622      5.265958
  C      -6.230657     -4.338820      6.511921
  C      -7.247635     -4.932794      7.450177
  C      -8.021079     -6.038133      7.064557
  C      -8.981891     -6.579193      7.913053
  C      -9.206562     -6.043042      9.194018
  C     -10.215363     -6.631796     10.101150
  C     -10.514026     -8.006011     10.059447
  C     -11.469249     -8.561522     10.909143
  C     -12.147100     -7.757618     11.828324
  C     -11.857872     -6.392400     11.887035
  C     -10.907145     -5.836890     11.032449
  C      -8.426124     -4.941546      9.582525
  C      -7.471256     -4.397846      8.724916
  C      -0.320649     -5.445486      7.152325
  C      -1.703238     -4.859927      6.839130
  C      -2.725121     -5.110333      7.965388
  C      -3.078546     -6.572668      8.268410
  C      -4.098864     -6.714387      9.371884
  C      -3.896365     -6.130952     10.631632
  C      -4.860331     -6.220830     11.632334
  C      -6.066691     -6.910232     11.418940
  C      -7.115723     -6.954161     12.459841
  C      -7.928262     -8.088720     12.629446
  C      -8.924775     -8.118963     13.603447
  C      -9.134701     -7.013790     14.431048
  C      -8.338217     -5.877276     14.273803
  C      -7.341058     -5.848101     13.299230
  C      -6.255105     -7.522364     10.169420
  C      -5.293434     -7.417242      9.167006
  H       0.434332     -2.386784      1.717964
  H      -0.205458     -0.884312      1.016551
  H      -0.453456     -2.421584      0.168735
  H      -1.649411     -1.522929      2.859916
  H      -3.837156     -1.882592      1.754137
  H      -3.035435     -2.198108      0.210079
  H      -2.117911      0.109142      0.165186
  H      -2.739585      0.411359      1.797812
  H      -5.177479      0.676748      2.190599
  H      -7.372259      1.300220      1.250648
  H      -7.290878      2.383856     -3.109017
  H      -9.497951      2.974449     -4.060415
  H     -11.591909      2.334323     -2.865544
  H     -11.445545      1.080151     -0.714167
  H      -9.238546      0.460713      0.218655
  H      -5.845796      0.651525     -2.726310
  H      -3.645384      0.051442     -1.779828
  H      -7.156269     -3.168425      2.519924
  H      -5.860670     -1.951170      2.433972
  H      -7.275665     -1.681114      3.476879
  H      -5.279256     -2.336014      4.817046
  H      -7.485430     -4.461870      4.744700
  H      -7.558864     -2.912922      5.575336
  H      -5.643385     -3.572011      7.041401
  H      -5.509693     -5.112220      6.198899
  H      -7.872350     -6.478976      6.075164
  H      -9.583111     -7.423428      7.570169
  H      -9.972798     -8.652186      9.366007
  H     -11.677289     -9.632253     10.861248
  H     -12.891814     -8.192639     12.496989
  H     -12.380790     -5.752612     12.600322
  H     -10.709670     -4.764516     11.073269
  H      -8.538817     -4.530623     10.587162
  H      -6.867042     -3.551665      9.061222
  H       0.402860     -5.159054      6.375304
  H       0.039201     -5.051620      8.114189
  H      -0.324645     -6.541886      7.226114
  H      -1.583138     -3.768020      6.797922
  H      -2.333876     -4.635735      8.881479
  H      -3.648552     -4.571543      7.705378
  H      -2.161860     -7.123428      8.542541
  H      -3.478138     -7.052707      7.362408
  H      -2.966368     -5.594908     10.834931
  H      -4.668165     -5.764096     12.605276
  H      -7.764431     -8.963465     11.997782
  H      -9.544112     -9.010393     13.714186
  H      -9.919347     -7.035074     15.189176
  H      -8.501637     -5.002573     14.906369
  H      -6.742386     -4.945224     13.164605
  H      -7.193490     -8.037418      9.960659
  H      -5.486195     -7.868670      8.190696
  N      -2.550589     -2.405421      5.049929
  H      -2.441475     -1.557156      5.605485
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5679474-ZHfV/orca E -6457.437801559160
  N      -1.911832     -3.528913      2.427748
  C      -1.779561     -4.562455      1.411024
  C      -1.923339     -5.931151      2.051809
  N      -3.055857     -5.928959      3.002865
  C      -4.374182     -5.935734      2.329171
  C      -5.408299     -5.309022      3.250549
  N      -4.848955     -4.090973      3.834038
  Mo     -2.895722     -3.918793      4.137708
  N      -2.226074     -5.241541      5.510393
  C      -1.918036     -6.594000      5.064644
  C      -2.929621     -7.006645      4.009294
  H      -1.973532     -7.321047      5.891877
  H      -0.887854     -6.677629      4.659818
  H      -3.911459     -7.131957      4.487318
  H      -2.655320     -7.962384      3.525154
  H      -6.319275     -5.102842      2.662155
  H      -5.709228     -6.029937      4.038270
  H      -4.284358     -5.320618      1.423474
  H      -4.657297     -6.960873      2.026140
  H      -0.794248     -4.525102      0.911752
  H      -2.531888     -4.436551      0.603649
  H      -1.018624     -6.153077      2.634000
  H      -2.044905     -6.723926      1.289651
  C      -0.415506     -1.976715      1.154179
  C      -1.720216     -2.151695      1.940537
  C      -2.945719     -1.654082      1.154155
  C      -2.931200     -0.147815      0.846887
  C      -4.243483      0.305853      0.267082
  C      -5.309426      0.674844      1.100989
  C      -6.550339      1.025771      0.575374
  C      -6.776049      1.025802     -0.812634
  C      -8.093204      1.398109     -1.372889
  C      -8.192507      2.091052     -2.592968
  C      -9.434742      2.441939     -3.120502
  C     -10.608811      2.108708     -2.440170
  C     -10.526716      1.420533     -1.226855
  C      -9.284160      1.069355     -0.700191
  C      -5.705067      0.663343     -1.648222
  C      -4.466507      0.309257     -1.117015
  C      -6.573169     -2.433411      3.098388
  C      -5.851674     -3.101649      4.276188
  C      -6.872007     -3.694804      5.261297
  C      -6.234963     -4.318753      6.507535
  C      -7.249319     -4.924546      7.440765
  C      -8.008511     -6.037601      7.048838
  C      -8.965217     -6.593245      7.892403
  C      -9.200187     -6.064430      9.174624
  C     -10.199453     -6.673208     10.078605
  C     -10.469126     -8.053364     10.035771
  C     -11.412657     -8.629664     10.884639
  C     -12.107817     -7.840757     11.804000
  C     -11.847280     -6.469704     11.863771
  C     -10.907819     -5.893709     11.010357
  C      -8.436176     -4.953441      9.568384
  C      -7.484891     -4.395556      8.715810
  C      -0.327740     -5.445658      7.151986
  C      -1.710656     -4.859992      6.841468
  C      -2.729408     -5.106902      7.971876
  C      -3.080402     -6.568311      8.283717
  C      -4.099156     -6.704947      9.389531
  C      -3.895990     -6.114164     10.646008
  C      -4.858960     -6.199512     11.648115
  C      -6.065067     -6.891239     11.439719
  C      -7.114617     -6.926977     12.479990
  C      -7.928610     -8.059189     12.657920
  C      -8.929189     -8.078643     13.628080
  C      -9.141315     -6.965334     14.444166
  C      -8.343406     -5.830889     14.278326
  C      -7.342774     -5.812214     13.307054
  C      -6.252653     -7.512775     10.195063
  C      -5.292152     -7.412215      9.191096
  H       0.428340     -2.414019      1.707134
  H      -0.203923     -0.908811      1.005305
  H      -0.462378     -2.445382      0.159498
  H      -1.648670     -1.535677      2.851326
  H      -3.840111     -1.884353      1.753709
  H      -3.046689     -2.213605      0.208423
  H      -2.114841      0.087210      0.146873
  H      -2.726571      0.402601      1.780748
  H      -5.158715      0.693866      2.183472
  H      -7.351941      1.332693      1.249922
  H      -7.281158      2.379416     -3.119900
  H      -9.486207      2.987590     -4.064610
  H     -11.581024      2.383602     -2.852514
  H     -11.437488      1.147237     -0.690608
  H      -9.232882      0.509715      0.235594
  H      -5.853265      0.637144     -2.729537
  H      -3.653969      0.022835     -1.789899
  H      -7.164564     -3.155691      2.515780
  H      -5.856596     -1.952401      2.419979
  H      -7.267091     -1.661521      3.463779
  H      -5.279812     -2.326188      4.807628
  H      -7.491253     -4.446093      4.742902
  H      -7.564556     -2.893920      5.568017
  H      -5.653659     -3.549507      7.040146
  H      -5.508460     -5.086000      6.192536
  H      -7.850518     -6.474125      6.058931
  H      -9.553782     -7.444534      7.545081
  H      -9.912976     -8.687892      9.343349
  H     -11.597819     -9.704543     10.835937
  H     -12.843526     -8.291785     12.472029
  H     -12.383662     -5.841563     12.577392
  H     -10.731615     -4.817667     11.053357
  H      -8.557230     -4.547128     10.573936
  H      -6.891949     -3.543361      9.057019
  H       0.393769     -5.163482      6.371528
  H       0.035805     -5.048016      8.110882
  H      -0.332772     -6.541741      7.230810
  H      -1.589586     -3.768463      6.797796
  H      -2.335867     -4.627672      8.884558
  H      -3.654327     -4.570369      7.711874
  H      -2.162629     -7.116546      8.559027
  H      -3.481170     -7.053633      7.381095
  H      -2.966012     -5.576770     10.845860
  H      -4.666474     -5.736432     12.618020
  H      -7.764586     -8.939631     12.034220
  H      -9.550841     -8.967750     13.744430
  H      -9.929354     -6.978365     15.198955
  H      -8.508566     -4.949659     14.901321
  H      -6.743441     -4.910802     13.165537
  H      -7.189506     -8.032349      9.990574
  H      -5.484422     -7.871987      8.218596
  N      -2.546803     -2.406708      5.041302
  H      -2.448647     -1.556086      5.595813
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5679474-ZHfV/orca E -6457.438007543436
  N      -1.949439     -3.540946      2.426100
  C      -1.817251     -4.583159      1.419059
  C      -1.968557     -5.947163      2.068936
  N      -3.105473     -5.936016      3.012966
  C      -4.420910     -5.928296      2.333707
  C      -5.452086     -5.287900      3.248982
  N      -4.883822     -4.071757      3.827382
  Mo     -2.928323     -3.916613      4.142696
  N      -2.281886     -5.248065      5.521769
  C      -1.986170     -6.605361      5.084571
  C      -2.994454     -7.010645      4.023757
  H      -2.061836     -7.326525      5.915691
  H      -0.953102     -6.707251      4.691584
  H      -3.980783     -7.127758      4.494195
  H      -2.723186     -7.970478      3.545507
  H      -6.359401     -5.077909      2.656193
  H      -5.759980     -6.001125      4.040847
  H      -4.320679     -5.314812      1.428233
  H      -4.714612     -6.950358      2.029970
  H      -0.829392     -4.554227      0.924289
  H      -2.565852     -4.462178      0.607431
  H      -1.067443     -6.168540      2.656987
  H      -2.087648     -6.743503      1.309637
  C      -0.427627     -2.013413      1.152770
  C      -1.737744     -2.169773      1.933721
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  C      -2.918487     -0.162494      0.812290
  C      -4.224625      0.304102      0.229702
  C      -5.278925      0.713615      1.059556
  C      -6.513755      1.081412      0.531211
  C      -6.745832      1.057255     -0.855625
  C      -8.055349      1.450081     -1.419135
  C      -8.142814      2.113157     -2.656720
  C      -9.377685      2.484097     -3.187492
  C     -10.556816      2.201993     -2.492927
  C     -10.486681      1.544014     -1.262174
  C      -9.251476      1.172370     -0.732510
  C      -5.687110      0.651209     -1.687041
  C      -4.454494      0.281432     -1.153191
  C      -6.598418     -2.403069      3.085822
  C      -5.875622     -3.069552      4.263394
  C      -6.891683     -3.648738      5.260918
  C      -6.240330     -4.270662      6.501255
  C      -7.240391     -4.904460      7.430503
  C      -7.975308     -6.029855      7.026335
  C      -8.918888     -6.616030      7.863680
  C      -9.163912     -6.107149      9.152229
  C     -10.139153     -6.756164     10.053191
  C     -10.353454     -8.145725     10.004142
  C     -11.271608     -8.763449     10.851720
  C     -11.996393     -8.006770     11.775605
  C     -11.789762     -6.626678     11.841948
  C     -10.875051     -6.009682     10.990443
  C      -8.427129     -4.982301      9.557062
  C      -7.488929     -4.393721      8.710371
  C      -0.371740     -5.451449      7.152753
  C      -1.754051     -4.862730      6.848665
  C      -2.767013     -5.103319      7.987019
  C      -3.109244     -6.562999      8.318184
  C      -4.118728     -6.692776      9.433412
  C      -3.913309     -6.081691     10.680401
  C      -4.867857     -6.164730     11.690851
  C      -6.066887     -6.874636     11.501462
  C      -7.109989     -6.906193     12.547488
  C      -7.907152     -8.045679     12.751939
  C      -8.905493     -8.057909     13.724442
  C      -9.131979     -6.930533     14.517247
  C      -8.351119     -5.788234     14.324074
  C      -7.353154     -5.776586     13.349818
  C      -6.254403     -7.518103     10.268836
  C      -5.303521     -7.418600      9.255626
  H       0.407835     -2.461413      1.709878
  H      -0.200711     -0.948574      1.004563
  H      -0.475835     -2.481808      0.157928
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  H      -3.852317     -1.872389      1.743650
  H      -3.065889     -2.236125      0.203345
  H      -2.100197      0.049511      0.107119
  H      -2.702661      0.397606      1.737804
  H      -5.123519      0.750434      2.140947
  H      -7.305151      1.421157      1.202072
  H      -7.226853      2.362782     -3.195338
  H      -9.419218      3.005801     -4.145535
  H     -11.523344      2.492630     -2.907780
  H     -11.401617      1.310191     -0.714430
  H      -9.210539      0.636392      0.217562
  H      -5.840864      0.604009     -2.766855
  H      -3.651645     -0.037845     -1.822955
  H      -7.213725     -3.120356      2.521766
  H      -5.880656     -1.948154      2.390785
  H      -7.270012     -1.611130      3.449579
  H      -5.294202     -2.294553      4.785612
  H      -7.515152     -4.403590      4.752934
  H      -7.581326     -2.846072      5.569167
  H      -5.667251     -3.497819      7.037621
  H      -5.504428     -5.023046      6.172712
  H      -7.807786     -6.452134      6.031782
  H      -9.487200     -7.477374      7.507480
  H      -9.772258     -8.754724      9.309232
  H     -11.413449     -9.844647     10.798286
  H     -12.712457     -8.489612     12.442741
  H     -12.348694     -6.023796     12.559992
  H     -10.738744     -4.928018     11.040635
  H      -8.557931     -4.589384     10.566867
  H      -6.915310     -3.532010      9.060701
  H       0.346049     -5.178766      6.365516
  H       0.000104     -5.047271      8.105741
  H      -0.380734     -6.546935      7.241218
  H      -1.629451     -3.771999      6.802255
  H      -2.369933     -4.613309      8.892513
  H      -3.695702     -4.573601      7.726270
  H      -2.186789     -7.103757      8.592150
  H      -3.515077     -7.060239      7.424360
  H      -2.988380     -5.530748     10.866283
  H      -4.674644     -5.683842     12.651983
  H      -7.734071     -8.936072     12.145063
  H      -9.515574     -8.952276     13.860481
  H      -9.918627     -6.938675     15.273568
  H      -8.527424     -4.895923     14.927968
  H      -6.766917     -4.869891     13.188167
  H      -7.183940     -8.056451     10.079860
  H      -5.497009     -7.896675      8.292268
  N      -2.551317     -2.405648      5.030042
  H      -2.497099     -1.553000      5.588825
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5679474-ZHfV/orca E -6457.438254889296
  N      -1.983735     -3.547474      2.431939
  C      -1.858804     -4.596661      1.431900
  C      -2.024313     -5.957296      2.086457
  N      -3.166168     -5.933814      3.022443
  C      -4.477519     -5.898095      2.337023
  C      -5.500939     -5.237953      3.246945
  N      -4.914743     -4.030069      3.823645
  Mo     -2.956222     -3.907908      4.154712
  N      -2.341122     -5.258919      5.534148
  C      -2.071825     -6.622346      5.101569
  C      -3.079893     -7.008730      4.033736
  H      -2.174181     -7.338762      5.934279
  H      -1.037421     -6.751216      4.720532
  H      -4.071592     -7.110280      4.496063
  H      -2.819868     -7.973584      3.558695
  H      -6.402525     -5.015491      2.649925
  H      -5.822009     -5.942924      4.041175
  H      -4.360818     -5.284316      1.433998
  H      -4.790801     -6.913031      2.028781
  H      -0.869437     -4.579223      0.939811
  H      -2.604606     -4.474644      0.617844
  H      -1.128039     -6.184577      2.679713
  H      -2.144324     -6.753764      1.326847
  C      -0.433364     -2.045152      1.161956
  C      -1.750287     -2.182774      1.934377
  C      -2.958653     -1.671766      1.131038
  C      -2.903873     -0.175790      0.781027
  C      -4.205053      0.298487      0.194228
  C      -5.249196      0.744310      1.018097
  C      -6.479322      1.121824      0.485583
  C      -6.717586      1.070430     -0.899518
  C      -8.020931      1.475766     -1.468053
  C      -8.100152      2.104074     -2.724342
  C      -9.328850      2.487102     -3.260588
  C     -10.510674      2.252788     -2.552985
  C     -10.448937      1.629905     -1.303627
  C      -9.219915      1.245868     -0.768665
  C      -5.669694      0.624863     -1.724691
  C      -4.441650      0.246482     -1.186874
  C      -6.607033     -2.336685      3.081508
  C      -5.887065     -3.008765      4.257059
  C      -6.903011     -3.567996      5.266656
  C      -6.241862     -4.195447      6.499834
  C      -7.229216     -4.860316      7.419921
  C      -7.937789     -5.996614      6.997566
  C      -8.866518     -6.618610      7.825344
  C      -9.122289     -6.135715      9.122012
  C     -10.070673     -6.829825     10.017056
  C     -10.221076     -8.227410      9.960072
  C     -11.111642     -8.891058     10.802523
  C     -11.872014     -8.172345     11.728326
  C     -11.727235     -6.784701     11.803326
  C     -10.839371     -6.122065     10.957796
  C      -8.415738     -4.998305      9.543470
  C      -7.491618     -4.374258      8.706384
  C      -0.420061     -5.486384      7.150283
  C      -1.795958     -4.879088      6.856919
  C      -2.803553     -5.107169      8.003674
  C      -3.150394     -6.563006      8.347336
  C      -4.147248     -6.685233      9.474499
  C      -3.933966     -6.060487     10.713992
  C      -4.877591     -6.142171     11.734894
  C      -6.072561     -6.864058     11.564251
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  C      -7.891975     -8.038542     12.841144
  C      -8.882378     -8.048970     13.821551
  C      -9.113450     -6.915177     14.604164
  C      -8.345234     -5.767500     14.391544
  C      -7.354654     -5.757827     13.409527
  C      -6.266584     -7.521220     10.340670
  C      -5.327490     -7.422164      9.316447
  H       0.391589     -2.506101      1.724165
  H      -0.189594     -0.983457      1.017726
  H      -0.481077     -2.510762      0.165738
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  H      -3.859120     -1.859968      1.735939
  H      -3.076247     -2.257661      0.203255
  H      -2.083899      0.015811      0.071909
  H      -2.679829      0.394640      1.698231
  H      -5.089580      0.800342      2.098089
  H      -7.261794      1.490995      1.151332
  H      -7.181692      2.317483     -3.274206
  H      -9.363172      2.981035     -4.233529
  H     -11.472448      2.552884     -2.972086
  H     -11.366100      1.433044     -0.745152
  H      -9.186875      0.737273      0.196675
  H      -5.829099      0.553015     -2.802291
  H      -3.647644     -0.103528     -1.851839
  H      -7.258110     -3.040552      2.540940
  H      -5.886532     -1.918909      2.366027
  H      -7.243275     -1.516290      3.445346
  H      -5.290103     -2.239825      4.771008
  H      -7.536710     -4.320626      4.768153
  H      -7.583485     -2.758866      5.577890
  H      -5.676431     -3.423159      7.044933
  H      -5.497020     -4.931868      6.154791
  H      -7.759251     -6.399364      5.996739
  H      -9.413264     -7.488608      7.456627
  H      -9.610742     -8.805393      9.263548
  H     -11.203585     -9.977312     10.743497
  H     -12.566718     -8.690267     12.391706
  H     -12.313108     -6.211904     12.524461
  H     -10.748922     -5.035845     11.015914
  H      -8.558508     -4.623392     10.558687
  H      -6.939040     -3.504235      9.069862
  H       0.294681     -5.229861      6.354945
  H      -0.033213     -5.080839      8.096801
  H      -0.444272     -6.581017      7.247198
  H      -1.656665     -3.790293      6.810934
  H      -2.396992     -4.613743      8.903099
  H      -3.730691     -4.574164      7.745207
  H      -2.227622     -7.107086      8.613255
  H      -3.569429     -7.063156      7.461160
  H      -3.012357     -5.499505     10.885604
  H      -4.679938     -5.648593     12.688707
  H      -7.716965     -8.933166     12.241171
  H      -9.483603     -8.947125     13.971921
  H      -9.893893     -6.922963     15.366919
  H      -8.524935     -4.870082     14.986817
  H      -6.777212     -4.847876     13.234832
  H      -7.191575     -8.072615     10.167147
  H      -5.528290     -7.909265      8.359133
  N      -2.538679     -2.406522      5.031771
  H      -2.559893     -1.558710      5.602585
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5679474-ZHfV/orca E -6457.438597619982
  N      -2.017600     -3.555345      2.432531
  C      -1.902094     -4.606369      1.433263
  C      -2.064591     -5.967752      2.088255
  N      -3.202300     -5.944266      3.028337
  C      -4.515965     -5.896706      2.349630
  C      -5.530774     -5.225741      3.261516
  N      -4.935580     -4.019553      3.831811
  Mo     -2.974232     -3.909673      4.161828
  N      -2.348616     -5.269267      5.532043
  C      -2.099348     -6.636458      5.102103
  C      -3.117913     -7.016348      4.040865
  H      -2.206327     -7.348750      5.937795
  H      -1.068455     -6.780364      4.717023
  H      -4.107543     -7.108257      4.509597
  H      -2.868353     -7.985153      3.567455
  H      -6.433747     -5.000009      2.667654
  H      -5.852301     -5.925811      4.060405
  H      -4.397615     -5.284173      1.446116
  H      -4.841429     -6.908234      2.042473
  H      -0.917106     -4.588971      0.932700
  H      -2.654955     -4.485228      0.625689
  H      -1.165237     -6.196267      2.676352
  H      -2.186968     -6.762222      1.326423
  C      -0.441912     -2.068395      1.174740
  C      -1.767152     -2.193754      1.934326
  C      -2.964526     -1.676311      1.118662
  C      -2.897933     -0.181371      0.766013
  C      -4.194305      0.301212      0.175347
  C      -5.235810      0.759220      0.995576
  C      -6.461802      1.144985      0.459459
  C      -6.698595      1.090310     -0.925730
  C      -7.997059      1.505693     -1.498094
  C      -8.068517      2.126000     -2.758959
  C      -9.292375      2.518957     -3.299114
  C     -10.477504      2.302738     -2.591254
  C     -10.423594      1.688125     -1.337455
  C      -9.199416      1.294369     -0.798543
  C      -5.653522      0.630990     -1.747249
  C      -4.429657      0.244352     -1.205951
  C      -6.623281     -2.320063      3.095623
  C      -5.897640     -2.990389      4.268212
  C      -6.910884     -3.537998      5.288206
  C      -6.246341     -4.165591      6.520612
  C      -7.227733     -4.851358      7.430978
  C      -7.914954     -5.996299      6.994987
  C      -8.838644     -6.640011      7.811698
  C      -9.109467     -6.170657      9.110499
  C     -10.049395     -6.887604      9.996735
  C     -10.167277     -8.288146      9.934189
  C     -11.048643     -8.974632     10.768369
  C     -11.831608     -8.275416     11.690210
  C     -11.718848     -6.885145     11.770430
  C     -10.839839     -6.199649     10.933810
  C      -8.425569     -5.024881      9.545117
  C      -7.506400     -4.379050      8.718856
  C      -0.427655     -5.512372      7.143424
  C      -1.797481     -4.890705      6.852137
  C      -2.803641     -5.103292      8.003788
  C      -3.154416     -6.554460      8.361233
  C      -4.142040     -6.670637      9.496703
  C      -3.933271     -6.021549     10.724654
  C      -4.872365     -6.098943     11.750100
  C      -6.056814     -6.841612     11.596420
  C      -7.091045     -6.866194     12.651340
  C      -7.865913     -8.014043     12.889092
  C      -8.857691     -8.019105     13.867997
  C      -9.101295     -6.875858     14.633121
  C      -8.344037     -5.724036     14.404207
  C      -7.351569     -5.719761     13.423891
  C      -6.244517     -7.524283     10.386139
  C      -5.311022     -7.428140      9.356468
  H       0.371015     -2.544879      1.741507
  H      -0.182519     -1.008767      1.041899
  H      -0.485762     -2.525134      0.174232
  H      -1.696739     -1.568089      2.838719
  H      -3.870843     -1.856914      1.717184
  H      -3.078967     -2.265003      0.192448
  H      -2.073960      0.004304      0.059885
  H      -2.673426      0.388048      1.683748
  H      -5.077789      0.816552      2.075654
  H      -7.241808      1.523643      1.122768
  H      -7.147628      2.325919     -3.309871
  H      -9.320026      3.006291     -4.275605
  H     -11.435513      2.610517     -3.013400
  H     -11.343271      1.505388     -0.778306
  H      -9.173856      0.792399      0.170490
  H      -5.812397      0.553405     -2.824504
  H      -3.638205     -0.116704     -1.868050
  H      -7.300990     -3.017104      2.579296
  H      -5.907235     -1.930181      2.360385
  H      -7.233348     -1.480262      3.460178
  H      -5.292385     -2.222484      4.774039
  H      -7.551326     -4.290143      4.797634
  H      -7.585962     -2.724299      5.599049
  H      -5.690503     -3.391729      7.073074
  H      -5.491590     -4.889597      6.169373
  H      -7.723495     -6.386399      5.991427
  H      -9.370652     -7.515187      7.433713
  H      -9.539705     -8.848907      9.238819
  H     -11.115271    -10.062528     10.706049
  H     -12.519448     -8.810325     12.347217
  H     -12.322502     -6.328367     12.489444
  H     -10.772669     -5.111894     10.995424
  H      -8.585336     -4.658307     10.560971
  H      -6.971759     -3.501601      9.091203
  H       0.285333     -5.273943      6.341038
  H      -0.029963     -5.100224      8.082741
  H      -0.464384     -6.605393      7.253736
  H      -1.645830     -3.803545      6.801915
  H      -2.392918     -4.602800      8.897395
  H      -3.728474     -4.568703      7.741381
  H      -2.231602     -7.100207      8.623812
  H      -3.582475     -7.060019      7.482304
  H      -3.021363     -5.441130     10.882416
  H      -4.681115     -5.582695     12.693131
  H      -7.682215     -8.915236     12.301870
  H      -9.450687     -8.920599     14.030835
  H      -9.882313     -6.880486     15.395324
  H      -8.533427     -4.819405     14.985398
  H      -6.782476     -4.807074     13.236797
  H      -7.160842     -8.093721     10.226385
  H      -5.510247     -7.930922      8.406939
  N      -2.542766     -2.413958      5.037482
  H      -2.663804     -1.580915      5.620809
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5679474-ZHfV/orca E -6457.439271219038
  N      -2.040163     -3.556573      2.440287
  C      -1.930797     -4.599767      1.431077
  C      -2.086880     -5.969441      2.072102
  N      -3.221986     -5.959122      3.015012
  C      -4.536897     -5.904614      2.343000
  C      -5.546931     -5.229831      3.257773
  N      -4.950105     -4.025067      3.827624
  Mo     -2.988993     -3.918653      4.163765
  N      -2.334928     -5.287996      5.513731
  C      -2.105750     -6.657061      5.079511
  C      -3.135236     -7.030936      4.024474
  H      -2.208017     -7.370686      5.914543
  H      -1.079667     -6.807802      4.684343
  H      -4.121400     -7.114925      4.502440
  H      -2.896331     -8.002149      3.549846
  H      -6.451439     -5.001477      2.667211
  H      -5.868717     -5.930107      4.057055
  H      -4.419391     -5.291606      1.439678
  H      -4.871160     -6.913150      2.035190
  H      -0.950865     -4.572084      0.921810
  H      -2.690702     -4.472079      0.631436
  H      -1.184514     -6.201631      2.654217
  H      -2.206867     -6.754600      1.299982
  C      -0.438671     -2.067521      1.216114
  C      -1.776806     -2.191961      1.952355
  C      -2.958945     -1.667339      1.118748
  C      -2.891398     -0.167184      0.789833
  C      -4.182945      0.319735      0.191066
  C      -5.237177      0.753925      1.007370
  C      -6.460341      1.138987      0.464191
  C      -6.680422      1.108652     -0.924236
  C      -7.976987      1.521518     -1.503200
  C      -8.040693      2.167871     -2.751312
  C      -9.262798      2.558180     -3.297774
  C     -10.453676      2.312355     -2.609474
  C     -10.407372      1.671597     -1.368629
  C      -9.184931      1.281150     -0.823217
  C      -5.621763      0.674740     -1.742241
  C      -4.400954      0.287729     -1.193976
  C      -6.646181     -2.331180      3.103314
  C      -5.910701     -2.998466      4.271943
  C      -6.922247     -3.545914      5.295052
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  C      -7.242889     -4.873691      7.430721
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  C      -8.831089     -6.684840      7.801444
  C      -9.114051     -6.218406      9.098868
  C     -10.050994     -6.944187      9.983170
  C     -10.157365     -8.345772      9.919751
  C     -11.033404     -9.039435     10.754208
  C     -11.821376     -8.345786     11.675536
  C     -11.721756     -6.954747     11.754618
  C     -10.848201     -6.261715     10.918204
  C      -8.449014     -5.063332      9.537590
  C      -7.533919     -4.404935      8.716770
  C      -0.419995     -5.564880      7.119122
  C      -1.778567     -4.915886      6.830902
  C      -2.782857     -5.102392      7.988207
  C      -3.159970     -6.544281      8.351484
  C      -4.135347     -6.647931      9.498860
  C      -3.922900     -5.978035     10.714533
  C      -4.855588     -6.043396     11.746598
  C      -6.036226     -6.794963     11.612673
  C      -7.070205     -6.802190     12.669919
  C      -7.852188     -7.943109     12.918466
  C      -8.843848     -7.932440     13.897530
  C      -9.079456     -6.780414     14.651946
  C      -8.313730     -5.636562     14.413736
  C      -7.321288     -5.647699     13.433449
  C      -6.227277     -7.499752     10.414838
  C      -5.299916     -7.415716      9.378403
  H       0.359214     -2.562552      1.788338
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  H      -3.052684     -2.244151      0.183145
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  H      -5.092182      0.791685      2.090026
  H      -7.251114      1.497600      1.125912
  H      -7.116387      2.390665     -3.287551
  H      -9.284246      3.065992     -4.263931
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  H     -11.331212      1.465944     -0.824551
  H      -9.166367      0.758753      0.135098
  H      -5.767485      0.614716     -2.822477
  H      -3.599102     -0.054978     -1.853243
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  H      -7.592740     -2.728383      5.606068
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  H      -5.497850     -4.891526      6.177869
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  H      -9.351649     -7.566601      7.422845
  H      -9.526605     -8.899282      9.221521
  H     -11.091338    -10.127861     10.692694
  H     -12.505413     -8.885490     12.332627
  H     -12.331342     -6.403584     12.473049
  H     -10.790141     -5.173449     10.976739
  H      -8.622983     -4.698241     10.551514
  H      -7.013057     -3.520003      9.090826
  H       0.291194     -5.349325      6.308917
  H      -0.006562     -5.151351      8.051153
  H      -0.478245     -6.655618      7.240809
  H      -1.604478     -3.831856      6.774367
  H      -2.358737     -4.604293      8.876631
  H      -3.697243     -4.550371      7.725936
  H      -2.245409     -7.109232      8.603332
  H      -3.608781     -7.042659      7.478491
  H      -3.015199     -5.387336     10.857085
  H      -4.663724     -5.508443     12.678906
  H      -7.673435     -8.851175     12.340620
  H      -9.442331     -8.828607     14.069346
  H      -9.859243     -6.773532     15.415368
  H      -8.496561     -4.725619     14.987122
  H      -6.746293     -4.740670     13.237790
  H      -7.142179     -8.075099     10.270104
  H      -5.504213     -7.930271      8.436221
  N      -2.571008     -2.432568      5.062647
  H      -2.872635     -1.655472      5.663915
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5679474-ZHfV/orca E -6457.439840404697
  N      -2.045113     -3.557141      2.443457
  C      -1.940402     -4.587014      1.418196
  C      -2.076050     -5.966977      2.042547
  N      -3.199430     -5.980120      3.000024
  C      -4.523023     -5.949320      2.346871
  C      -5.532812     -5.288489      3.273162
  N      -4.951091     -4.074282      3.838945
  Mo     -2.992143     -3.937629      4.155441
  N      -2.266784     -5.288662      5.484476
  C      -2.034852     -6.656687      5.045608
  C      -3.080070     -7.047296      4.009940
  H      -2.104033     -7.373571      5.880994
  H      -1.016482     -6.790737      4.624759
  H      -4.055107     -7.137484      4.509894
  H      -2.842327     -8.018399      3.534583
  H      -6.446945     -5.072205      2.693051
  H      -5.838298     -5.995758      4.072730
  H      -4.427697     -5.338873      1.438774
  H      -4.847571     -6.963725      2.047652
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  H      -2.712632     -4.453180      0.631741
  H      -1.164266     -6.197118      2.610669
  H      -2.196770     -6.743470      1.262178
  C      -0.442231     -2.046634      1.248084
  C      -1.787039     -2.183910      1.970351
  C      -2.960867     -1.652998      1.128643
  C      -2.903165     -0.143425      0.844508
  C      -4.188741      0.346206      0.233708
  C      -5.268591      0.727688      1.042641
  C      -6.487398      1.109901      0.487501
  C      -6.675570      1.130278     -0.905580
  C      -7.968949      1.537203     -1.496680
  C      -8.020075      2.237517     -2.715655
  C      -9.239314      2.621325     -3.273554
  C     -10.438694      2.314323     -2.625833
  C     -10.404559      1.619406     -1.414155
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  C      -5.590244      0.753205     -1.716250
  C      -4.373910      0.368022     -1.156100
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  C      -6.937445     -3.630630      5.307314
  C      -6.287352     -4.251350      6.550860
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  C      -7.946597     -6.093527      7.028934
  C      -8.872372     -6.734039      7.845885
  C      -9.164243     -6.242998      9.131923
  C     -10.117615     -6.944273     10.020662
  C     -10.248642     -8.344446      9.973790
  C     -11.141952     -9.011655     10.811493
  C     -11.922474     -8.292809     11.719292
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  C     -10.910137     -6.235914     10.940611
  C      -8.497305     -5.082866      9.555972
  C      -7.574713     -4.441653      8.730157
  C      -0.362072     -5.566592      7.096671
  C      -1.718501     -4.913126      6.800565
  C      -2.724816     -5.087431      7.955980
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  C      -4.100394     -6.625353      9.454780
  C      -3.888495     -5.952307     10.667646
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  C      -8.822174     -7.878098     13.849818
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  H       0.350830     -2.548875      1.820696
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  H      -3.887078     -1.871159      1.683382
  H      -3.027647     -2.202577      0.174728
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  H      -2.719461      0.384803      1.795454
  H      -5.147505      0.727722      2.128821
  H      -7.299823      1.425319      1.145006
  H      -7.090045      2.506924     -3.219527
  H      -9.251697      3.171708     -4.216245
  H     -11.392882      2.614807     -3.061799
  H     -11.334884      1.366097     -0.902231
  H      -9.175284      0.671092      0.076939
  H      -5.709925      0.736354     -2.801257
  H      -3.550394      0.069250     -1.809895
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  H      -5.338927     -2.287780      4.795373
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  H      -7.614053     -2.815958      5.613474
  H      -5.747951     -3.470605      7.109740
  H      -5.518834     -4.971070      6.218411
  H      -7.735509     -6.495236      6.034003
  H      -9.393731     -7.621108      7.481120
  H      -9.624508     -8.916296      9.284624
  H     -11.219398    -10.099559     10.763398
  H     -12.620019     -8.812047     12.378742
  H     -12.406511     -6.332503     12.487101
  H     -10.836704     -5.148033     10.981797
  H      -8.675395     -4.701279     10.562811
  H      -7.053085     -3.552031      9.091610
  H       0.350203     -5.356459      6.286058
  H       0.051133     -5.150489      8.027583
  H      -0.423465     -6.656552      7.222096
  H      -1.539284     -3.829674      6.735938
  H      -2.295398     -4.598074      8.846493
  H      -3.630335     -4.519816      7.694379
  H      -2.219047     -7.107104      8.553756
  H      -3.580986     -7.009134      7.430152
  H      -2.979818     -5.363070     10.809676
  H      -4.630508     -5.474900     12.629702
  H      -7.658017     -8.803206     12.291957
  H      -9.426749     -8.770194     14.020804
  H      -9.826142     -6.714202     15.371088
  H      -8.446406     -4.677881     14.948724
  H      -6.698386     -4.701995     13.196495
  H      -7.116373     -8.036035     10.223187
  H      -5.471720     -7.905472      8.391923
  N      -2.630896     -2.449032      5.089154
  H      -3.044846     -1.728701      5.698546
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5679474-ZHfV/orca E -6457.440245204679
  N      -2.026778     -3.560947      2.446596
  C      -1.923235     -4.583363      1.412537
  C      -2.067036     -5.967381      2.026359
  N      -3.192681     -5.984531      2.980617
  C      -4.515690     -5.955817      2.327692
  C      -5.527022     -5.298731      3.256204
  N      -4.946206     -4.086899      3.828229
  Mo     -2.989772     -3.949047      4.144675
  N      -2.268172     -5.296491      5.474951
  C      -2.034148     -6.664158      5.030427
  C      -3.073653     -7.053293      3.989286
  H      -2.101648     -7.385766      5.861780
  H      -1.014777     -6.791784      4.609927
  H      -4.050063     -7.145724      4.486596
  H      -2.834127     -8.023773      3.514422
  H      -6.439398     -5.078767      2.674993
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  H      -4.422289     -5.346027      1.418605
  H      -4.838585     -6.970961      2.029154
  H      -0.949307     -4.537252      0.893911
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  H      -1.158289     -6.203634      2.597160
  H      -2.187085     -6.739087      1.241659
  C      -0.437725     -2.034393      1.253167
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  C      -2.957613     -1.646267      1.154791
  C      -2.908106     -0.132206      0.896030
  C      -4.192605      0.356456      0.281658
  C      -5.285112      0.708183      1.087385
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  C     -10.444008      2.278197     -2.602027
  C     -10.409583      1.554891     -1.407140
  C      -9.188532      1.182953     -0.845084
  C      -5.579342      0.785677     -1.673648
  C      -4.363308      0.405718     -1.108894
  C      -6.682131     -2.430549      3.112320
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  C     -10.240647     -8.338718     10.000027
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  C     -11.914877     -8.268775     11.744600
  C     -11.786398     -6.878908     11.797542
  C     -10.892867     -6.221689     10.953348
  C      -8.481705     -5.080118      9.555163
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  H       0.362971     -2.533041      1.818174
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  H     -11.340265      1.269975     -0.912832
  H      -9.176903      0.596181      0.075281
  H      -5.687272      0.792702     -2.760003
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  H      -7.353066     -3.142925      2.609427
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  H      -5.345792     -2.303117      4.788086
  H      -7.568375     -4.410657      4.798714
  H      -7.613629     -2.847107      5.604307
  H      -5.742055     -3.487134      7.092846
  H      -5.509296     -4.993151      6.211891
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  H      -9.371500     -7.644556      7.510358
  H      -9.618522     -8.918118      9.315492
  H     -11.220646    -10.083996     10.799090
  H     -12.614967     -8.781192     12.406723
  H     -12.390394     -6.301291     12.499745
  H     -10.816426     -5.133821     10.987320
  H      -8.653019     -4.691944     10.560496
  H      -7.039706     -3.553124      9.073353
  H       0.359604     -5.362939      6.266637
  H       0.063637     -5.178280      8.011245
  H      -0.412987     -6.674089      7.187969
  H      -1.527085     -3.842696      6.723493
  H      -2.268062     -4.622881      8.838725
  H      -3.609967     -4.516760      7.698195
  H      -2.229766     -7.129006      8.533474
  H      -3.584902     -7.006905      7.404824
  H      -2.995366     -5.352711     10.778653
  H      -4.655256     -5.445612     12.590882
  H      -7.674821     -8.775200     12.287622
  H      -9.441629     -8.723230     14.017601
  H      -9.848524     -6.647611     15.336257
  H      -8.476455     -4.613858     14.883173
  H      -6.730619     -4.656799     13.128810
  H      -7.132732     -8.025564     10.195124
  H      -5.474202     -7.920091      8.374191
  N      -2.645512     -2.461856      5.100852
  H      -3.132085     -1.789675      5.714190
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5679474-ZHfV/orca E -6457.440451877395
  N      -2.006402     -3.557517      2.445841
  C      -1.914375     -4.574768      1.404202
  C      -2.052221     -5.959927      2.014982
  N      -3.165903     -5.979566      2.983658
  C      -4.498126     -5.968198      2.348184
  C      -5.504661     -5.321108      3.289935
  N      -4.928014     -4.103567      3.856830
  Mo     -2.972252     -3.949860      4.139905
  N      -2.222878     -5.275023      5.467117
  C      -1.974605     -6.641379      5.021289
  C      -3.021805     -7.044739      3.994968
  H      -2.021588     -7.362389      5.854187
  H      -0.958881     -6.753445      4.587979
  H      -3.990841     -7.147494      4.504599
  H      -2.777648     -8.013924      3.520428
  H      -6.424502     -5.107493      2.718560
  H      -5.801328     -6.036337      4.084284
  H      -4.424327     -5.361514      1.434887
  H      -4.811742     -6.988802      2.058541
  H      -0.944861     -4.528083      0.877454
  H      -2.689070     -4.421347      0.624283
  H      -1.136872     -6.197556      2.574571
  H      -2.183496     -6.730965      1.231991
  C      -0.439721     -2.017179      1.242102
  C      -1.770530     -2.174384      1.987773
  C      -2.961489     -1.640205      1.173301
  C      -2.925110     -0.122570      0.933070
  C      -4.209458      0.359832      0.313407
  C      -5.315477      0.682833      1.113329
  C      -6.534196      1.048913      0.546794
  C      -6.694448      1.110854     -0.848664
  C      -7.990423      1.491120     -1.453024
  C      -8.043445      2.240402     -2.641921
  C      -9.265544      2.594890     -3.212876
  C     -10.464140      2.208297     -2.607988
  C     -10.427670      1.464110     -1.426027
  C      -9.205116      1.109638     -0.855859
  C      -5.582320      0.799156     -1.649268
  C      -4.366224      0.429463     -1.077574
  C      -6.663770     -2.448080      3.134203
  C      -5.919511     -3.105913      4.305324
  C      -6.923883     -3.686143      5.314723
  C      -6.271082     -4.306913      6.553679
  C      -7.269236     -4.959108      7.473354
  C      -7.963319     -6.110660      7.073465
  C      -8.903190     -6.712011      7.903993
  C      -9.186433     -6.189285      9.178478
  C     -10.161681     -6.848829     10.073893
  C     -10.337484     -8.244428     10.049419
  C     -11.253070     -8.869483     10.894369
  C     -12.013815     -8.113702     11.789228
  C     -11.847867     -6.727186     11.829380
  C     -10.935155     -6.102845     10.981122
  C      -8.489070     -5.037656      9.580095
  C      -7.552847     -4.435321      8.741149
  C      -0.300184     -5.544883      7.068010
  C      -1.663641     -4.901336      6.781016
  C      -2.664130     -5.090682      7.937369
  C      -3.086383     -6.530058      8.253558
  C      -4.086377     -6.629551      9.382047
  C      -3.891130     -5.962644     10.600135
  C      -4.839472     -6.026701     11.618343
  C      -6.021555     -6.770642     11.465372
  C      -7.060418     -6.779858     12.517099
  C      -7.844665     -7.921730     12.758872
  C      -8.835668     -7.917487     13.739135
  C      -9.067749     -6.770239     14.501194
  C      -8.300013     -5.626432     14.271398
  C      -7.309167     -5.631332     13.289865
  C      -6.199593     -7.469890     10.260196
  C      -5.255350     -7.390530      9.240124
  H       0.372934     -2.503536      1.800556
  H      -0.188417     -0.952538      1.139130
  H      -0.476902     -2.447625      0.229960
  H      -1.713631     -1.576935      2.911449
  H      -3.882135     -1.888845      1.724364
  H      -3.023289     -2.156804      0.200263
  H      -2.077037      0.138395      0.281744
  H      -2.761763      0.385022      1.898578
  H      -5.214947      0.653693      2.201399
  H      -7.369631      1.316138      1.196704
  H      -7.113969      2.569093     -3.110205
  H      -9.281539      3.184468     -4.131449
  H     -11.420484      2.485503     -3.054547
  H     -11.357559      1.149074     -0.948809
  H      -9.189334      0.506175      0.053571
  H      -5.679148      0.823587     -2.736419
  H      -3.520565      0.180797     -1.724035
  H      -7.313267     -3.164214      2.608894
  H      -5.958839     -2.023875      2.406995
  H      -7.305554     -1.633799      3.502628
  H      -5.339874     -2.323277      4.817531
  H      -7.558075     -4.434374      4.810692
  H      -7.603431     -2.876203      5.627531
  H      -5.717566     -3.527661      7.101609
  H      -5.518272     -5.045227      6.231150
  H      -7.761997     -6.540080      6.088200
  H      -9.441510     -7.595714      7.556120
  H      -9.727463     -8.848555      9.375432
  H     -11.365369     -9.954971     10.861899
  H     -12.728416     -8.601778     12.454204
  H     -12.437293     -6.126476     12.524480
  H     -10.830221     -5.017005     11.007297
  H      -8.647014     -4.637756     10.583043
  H      -7.009250     -3.552403      9.086188
  H       0.411705     -5.306848      6.264419
  H       0.104865     -5.147261      8.009826
  H      -0.350148     -6.638371      7.165766
  H      -1.494710     -3.816325      6.719709
  H      -2.220664     -4.630900      8.836453
  H      -3.564715     -4.502289      7.701120
  H      -2.193285     -7.130534      8.501633
  H      -3.533879     -6.989042      7.359034
  H      -2.980711     -5.380753     10.759573
  H      -4.654198     -5.501963     12.557820
  H      -7.664634     -8.828012     12.178132
  H      -9.433558     -8.814803     13.906017
  H      -9.847974     -6.765175     15.264209
  H      -8.480854     -4.719902     14.852339
  H      -6.733582     -4.723717     13.098094
  H      -7.117130     -8.037003     10.099665
  H      -5.439656     -7.912305      8.297864
  N      -2.657229     -2.451651      5.103333
  H      -3.131664     -1.779044      5.724675
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5679474-ZHfV/orca E -6457.440577003018
  N      -2.023229     -3.557228      2.447051
  C      -1.934809     -4.576170      1.406348
  C      -2.075054     -5.960484      2.018601
  N      -3.187538     -5.977200      2.988271
  C      -4.521170     -5.961585      2.355758
  C      -5.524280     -5.312190      3.300009
  N      -4.944647     -4.094620      3.864653
  Mo     -2.988102     -3.945717      4.141835
  N      -2.243287     -5.269456      5.469431
  C      -1.997522     -6.637860      5.027234
  C      -3.044768     -7.040575      4.001582
  H      -2.050703     -7.355209      5.862915
  H      -0.980858     -6.755159      4.598148
  H      -4.014576     -7.143069      4.509582
  H      -2.800052     -8.010925      3.529234
  H      -6.444784     -5.097634      2.730022
  H      -5.819390     -6.025908      4.096174
  H      -4.448098     -5.354672      1.442649
  H      -4.837643     -6.981462      2.066367
  H      -0.965063     -4.532954      0.879781
  H      -2.709803     -4.421883      0.627191
  H      -1.159416     -6.199986      2.576933
  H      -2.208868     -6.731485      1.235758
  C      -0.444932     -2.024615      1.248464
  C      -1.778648     -2.175329      1.989693
  C      -2.965209     -1.637550      1.171603
  C      -2.924614     -0.120011      0.930338
  C      -4.203662      0.363769      0.301266
  C      -5.315035      0.689997      1.092510
  C      -6.528440      1.058726      0.516578
  C      -6.678297      1.119995     -0.880159
  C      -7.968364      1.503607     -1.494716
  C      -8.010435      2.252215     -2.684552
  C      -9.227130      2.609723     -3.264903
  C     -10.431384      2.227011     -2.668772
  C     -10.405884      1.483631     -1.485986
  C      -9.188746      1.126115     -0.906391
  C      -5.561180      0.803763     -1.672110
  C      -4.350419      0.431492     -1.090946
  C      -6.673171     -2.431678      3.138349
  C      -5.932476     -3.091642      4.309514
  C      -6.935788     -3.667148      5.322705
  C      -6.276361     -4.292760      6.556179
  C      -7.271021     -4.946421      7.478470
  C      -7.964782     -6.098283      7.078279
  C      -8.900881     -6.703070      7.910683
  C      -9.179501     -6.184694      9.188102
  C     -10.144167     -6.852587     10.087409
  C     -10.305311     -8.249906     10.064520
  C     -11.209196     -8.884311     10.915059
  C     -11.972661     -8.136310     11.814446
  C     -11.820683     -6.748062     11.853182
  C     -10.919648     -6.114603     10.999298
  C      -8.485116     -5.031110      9.588397
  C      -7.553243     -4.425010      8.747394
  C      -0.311819     -5.537837      7.062007
  C      -1.675530     -4.894190      6.780919
  C      -2.671467     -5.083991      7.941936
  C      -3.096335     -6.523391      8.257064
  C      -4.094320     -6.624848      9.387312
  C      -3.900307     -5.957325     10.605737
  C      -4.844071     -6.031479     11.627791
  C      -6.020648     -6.785317     11.478203
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  C      -7.826764     -7.957205     12.776094
  C      -8.815642     -7.964197     13.758326
  C      -9.056694     -6.820994     14.523711
  C      -8.300330     -5.669298     14.294074
  C      -7.312018     -5.662965     13.309912
  C      -6.197788     -7.482397     10.272334
  C      -5.258079     -7.393912      9.248940
  H       0.364499     -2.511379      1.811169
  H      -0.189883     -0.961050      1.143087
  H      -0.479852     -2.458005      0.237432
  H      -1.721826     -1.578571      2.913817
  H      -3.888182     -1.883327      1.719705
  H      -3.026142     -2.154355      0.198561
  H      -2.071642      0.137653      0.284018
  H      -2.766662      0.388595      1.896109
  H      -5.223229      0.659957      2.181286
  H      -7.368245      1.328832      1.159659
  H      -7.076281      2.577943     -3.145646
  H      -9.234715      3.198703     -4.183986
  H     -11.383534      2.506560     -3.122765
  H     -11.340324      1.171805     -1.015572
  H      -9.180897      0.523439      0.003681
  H      -5.650279      0.826855     -2.759949
  H      -3.500702      0.179743     -1.730926
  H      -7.327425     -3.144160      2.613578
  H      -5.965576     -2.013255      2.410513
  H      -7.309731     -1.612795      3.505616
  H      -5.348752     -2.310272      4.819483
  H      -7.573700     -4.414029      4.821305
  H      -7.612464     -2.856580      5.639736
  H      -5.716007     -3.517656      7.103040
  H      -5.528987     -5.032854      6.225315
  H      -7.765995     -6.526475      6.091925
  H      -9.437496     -7.587645      7.562239
  H      -9.692334     -8.848664      9.388291
  H     -11.309928     -9.970966     10.883614
  H     -12.677911     -8.631804     12.483868
  H     -12.411752     -6.153030     12.551765
  H     -10.824742     -5.027725     11.026271
  H      -8.641723     -4.632258     10.592053
  H      -7.011138     -3.541158      9.092506
  H       0.397969     -5.300971      6.256240
  H       0.096365     -5.139363      8.002147
  H      -0.362287     -6.631171      7.161433
  H      -1.506938     -3.809239      6.718647
  H      -2.220140     -4.629268      8.839848
  H      -3.571520     -4.491831      7.713658
  H      -2.203929     -7.126560      8.500600
  H      -3.547122     -6.978804      7.362294
  H      -2.994252     -5.368239     10.762804
  H      -4.659311     -5.506349     12.567138
  H      -7.641283     -8.859923     12.191590
  H      -9.405767     -8.867009     13.923492
  H      -9.835549     -6.824707     15.288121
  H      -8.488419     -4.765573     14.877078
  H      -6.745675     -4.749413     13.118793
  H      -7.111496     -8.056337     10.113731
  H      -5.442220     -7.915526      8.306470
  N      -2.672286     -2.442945      5.099296
  H      -3.188067     -1.798291      5.718336
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5679474-ZHfV/orca E -6457.440629022065
  N      -2.033006     -3.552950      2.448552
  C      -1.948265     -4.571788      1.407389
  C      -2.090858     -5.956465      2.018732
  N      -3.201495     -5.971097      2.990690
  C      -4.536544     -5.949925      2.360961
  C      -5.536685     -5.301333      3.308981
  N      -4.955236     -4.084588      3.874469
  Mo     -2.997595     -3.941546      4.144621
  N      -2.253938     -5.266263      5.469348
  C      -2.010483     -6.635220      5.027622
  C      -3.059391     -7.035727      4.002697
  H      -2.067889     -7.351179      5.864298
  H      -0.993722     -6.756361      4.600421
  H      -4.029264     -7.139513      4.510008
  H      -2.814505     -8.005370      3.528449
  H      -6.458279     -5.085510      2.741157
  H      -5.829029     -6.016175      4.105343
  H      -4.463646     -5.339309      1.450371
  H      -4.855427     -6.968108      2.068089
  H      -0.979092     -4.530995      0.879574
  H      -2.724631     -4.416543      0.629885
  H      -1.174555     -6.199794      2.574230
  H      -2.228961     -6.725675      1.234650
  C      -0.444105     -2.024361      1.258455
  C      -1.782327     -2.171991      1.991446
  C      -2.963516     -1.633715      1.166141
  C      -2.923272     -0.116177      0.923674
  C      -4.199189      0.365695      0.287330
  C      -5.315574      0.690766      1.071919
  C      -6.525475      1.059569      0.489051
  C      -6.667440      1.121952     -0.908518
  C      -7.953334      1.507044     -1.530379
  C      -7.988018      2.255214     -2.720871
  C      -9.200914      2.614401     -3.307936
  C     -10.409097      2.234005     -2.718195
  C     -10.391082      1.491130     -1.534930
  C      -9.177794      1.131902     -0.948641
  C      -5.545666      0.805215     -1.694014
  C      -4.338310      0.433114     -1.105849
  C      -6.675268     -2.415956      3.144498
  C      -5.939843     -3.077595      4.316721
  C      -6.944689     -3.649528      5.330609
  C      -6.282708     -4.280161      6.561048
  C      -7.275918     -4.932466      7.485282
  C      -7.973665     -6.081858      7.083577
  C      -8.904531     -6.690486      7.919124
  C      -9.172611     -6.179488      9.202051
  C     -10.127607     -6.854453     10.105832
  C     -10.287761     -8.251681     10.072577
  C     -11.184257     -8.894043     10.925061
  C     -11.940458     -8.154390     11.837479
  C     -11.788484     -6.766516     11.887095
  C     -10.895482     -6.124949     11.030681
  C      -8.476544     -5.027314      9.602387
  C      -7.550815     -4.416772      8.757748
  C      -0.324528     -5.537578      7.063609
  C      -1.686472     -4.892030      6.781598
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  C      -3.110664     -6.520552      8.255626
  C      -4.105080     -6.625801      9.388195
  C      -3.908580     -5.962104     10.608771
  C      -4.848740     -6.042141     11.633652
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  C      -7.819202     -7.984941     12.785847
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  C      -9.048725     -6.861897     14.542293
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  C      -7.314020     -5.690452     13.326834
  C      -6.203620     -7.491019     10.277562
  C      -5.267744     -7.395976      9.250927
  H       0.361478     -2.509143      1.828379
  H      -0.187868     -0.961178      1.150955
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  H      -1.729901     -1.574849      2.915505
  H      -3.889196     -1.879103      1.709825
  H      -3.020396     -2.151620      0.193483
  H      -2.066593      0.141393      0.282149
  H      -2.771678      0.393134      1.890044
  H      -5.230769      0.658119      2.161150
  H      -7.369243      1.329314      1.127115
  H      -7.050697      2.579287     -3.176764
  H      -9.202694      3.202941     -4.227348
  H     -11.358307      2.514923     -3.177454
  H     -11.328638      1.181218     -1.069445
  H      -9.175439      0.529665     -0.038239
  H      -5.628992      0.827250     -2.782338
  H      -3.485057      0.181021     -1.741007
  H      -7.326988     -3.127211      2.614626
  H      -5.963923     -1.996642      2.420960
  H      -7.313562     -1.597751      3.510532
  H      -5.353138     -2.298364      4.826633
  H      -7.584989     -4.395269      4.830348
  H      -7.619733     -2.838838      5.650317
  H      -5.714202     -3.510181      7.106415
  H      -5.541769     -5.023715      6.223406
  H      -7.782450     -6.505827      6.093882
  H      -9.444098     -7.572563      7.568820
  H      -9.681214     -8.844618      9.385462
  H     -11.284348     -9.980479     10.885082
  H     -12.639564     -8.656200     12.508596
  H     -12.373755     -6.177612     12.595715
  H     -10.801203     -5.038213     11.066257
  H      -8.628682     -4.631133     10.607862
  H      -7.006576     -3.534579      9.103845
  H       0.386634     -5.305288      6.257820
  H       0.083998     -5.136596      8.002681
  H      -0.377530     -6.630363      7.167381
  H      -1.516921     -3.807076      6.719661
  H      -2.229274     -4.630452      8.841342
  H      -3.581783     -4.486094      7.716430
  H      -2.218575     -7.125639      8.495236
  H      -3.564351     -6.972607      7.360390
  H      -3.004345     -5.369783     10.764180
  H      -4.662297     -5.518929     12.573673
  H      -7.631149     -8.884497     12.197438
  H      -9.389228     -8.907198     13.935196
  H      -9.824644     -6.872742     15.309595
  H      -8.489717     -4.804794     14.901185
  H      -6.753033     -4.773283     13.137598
  H      -7.117523     -8.064771     10.118709
  H      -5.456276     -7.911127      8.305727
  N      -2.681844     -2.435450      5.098140
  H      -3.198269     -1.792827      5.719081
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5679474-ZHfV/orca E -6457.440656496449
  N      -2.032197     -3.544896      2.451468
  C      -1.947734     -4.562151      1.408777
  C      -2.090193     -5.948481      2.017205
  N      -3.199546     -5.965026      2.990596
  C      -4.535547     -5.940308      2.362828
  C      -5.534422     -5.295665      3.314828
  N      -4.953696     -4.079480      3.882657
  Mo     -2.995349     -3.938643      4.148323
  N      -2.251636     -5.265451      5.469303
  C      -2.008282     -6.633906      5.025702
  C      -3.056704     -7.032670      3.999220
  H      -2.067708     -7.350731      5.861610
  H      -0.991127     -6.755295      4.599810
  H      -4.026677     -7.140409      4.505320
  H      -2.809631     -8.000092      3.521449
  H      -6.457477     -5.079931      2.749411
  H      -5.823288     -6.013286      4.110087
  H      -4.463364     -5.324767      1.455508
  H      -4.855080     -6.956880      2.065007
  H      -0.978891     -4.520509      0.880378
  H      -2.724824     -4.406474      0.632077
  H      -1.173339     -6.194245      2.570735
  H      -2.229963     -6.715193      1.230909
  C      -0.441716     -2.013898      1.266907
  C      -1.782077     -2.163526      1.995078
  C      -2.961401     -1.627510      1.165666
  C      -2.925284     -0.109871      0.922884
  C      -4.200939      0.367494      0.282848
  C      -5.320680      0.688369      1.064291
  C      -6.530098      1.053377      0.478222
  C      -6.668613      1.115952     -0.919678
  C      -7.953853      1.497250     -1.544881
  C      -7.987649      2.244875     -2.735818
  C      -9.199969      2.600459     -3.326189
  C     -10.408688      2.216981     -2.739503
  C     -10.391637      1.474592     -1.555899
  C      -9.178962      1.118941     -0.966351
  C      -5.543478      0.803129     -1.702174
  C      -4.336510      0.435083     -1.110782
  C      -6.669926     -2.408848      3.151629
  C      -5.938058     -3.072260      4.324522
  C      -6.945336     -3.644242      5.336242
  C      -6.285302     -4.277366      6.566955
  C      -7.279718     -4.925404      7.492500
  C      -7.984183     -6.070830      7.090341
  C      -8.916065     -6.676540      7.926882
  C      -9.178549     -6.166543      9.211566
  C     -10.135624     -6.837779     10.116324
  C     -10.305330     -8.233868     10.078956
  C     -11.204771     -8.872869     10.930968
  C     -11.954260     -8.131069     11.847078
  C     -11.792346     -6.744601     11.901172
  C     -10.896595     -6.106217     11.045166
  C      -8.475558     -5.018891      9.612303
  C      -7.548970     -4.411118      8.766478
  C      -0.322110     -5.539511      7.062632
  C      -1.683823     -4.893168      6.781890
  C      -2.680083     -5.083614      7.943156
  C      -3.112118     -6.523052      8.249323
  C      -4.104038     -6.632977      9.383195
  C      -3.904294     -5.976683     10.607399
  C      -4.842959     -6.060514     11.633187
  C      -6.019610     -6.814736     11.482887
  C      -7.047872     -6.851943     12.544209
  C      -7.815984     -8.006073     12.775967
  C      -8.798733     -8.028279     13.763863
  C      -9.038812     -6.895651     14.545069
  C      -8.286806     -5.739016     14.325436
  C      -7.304119     -5.717636     13.335871
  C      -6.203133     -7.498544     10.270865
  C      -5.268674     -7.399365      9.243114
  H       0.363096     -2.494292      1.841669
  H      -0.188394     -0.950177      1.157126
  H      -0.463700     -2.453803      0.258359
  H      -1.733835     -1.566451      2.919397
  H      -3.888094     -1.875289      1.706842
  H      -3.014629     -2.145880      0.193093
  H      -2.067240      0.150483      0.284305
  H      -2.778837      0.399798      1.889864
  H      -5.238927      0.654923      2.153723
  H      -7.376593      1.320086      1.113971
  H      -7.049981      2.571312     -3.189318
  H      -9.201036      3.188585     -4.245869
  H     -11.357456      2.495118     -3.201345
  H     -11.329590      1.162278     -1.092812
  H      -9.177134      0.516912     -0.055808
  H      -5.624167      0.824526     -2.790712
  H      -3.480769      0.185793     -1.743691
  H      -7.315449     -3.120340      2.614616
  H      -5.956057     -1.983545      2.434053
  H      -7.313872     -1.595040      3.517767
  H      -5.351301     -2.294469      4.836439
  H      -7.585417     -4.389576      4.834962
  H      -7.620814     -2.834084      5.656247
  H      -5.711554     -3.510316      7.110776
  H      -5.548681     -5.024279      6.227558
  H      -7.798785     -6.493483      6.098994
  H      -9.461623     -7.554316      7.575212
  H      -9.704679     -8.828917      9.388570
  H     -11.312120     -9.958490     10.887754
  H     -12.655460     -8.630313     12.517919
  H     -12.371943     -6.153891     12.612947
  H     -10.795136     -5.020284     11.083982
  H      -8.624541     -4.622593     10.618199
  H      -7.000294     -3.531763      9.112845
  H       0.388757     -5.309343      6.256037
  H       0.087788     -5.137317      8.000678
  H      -0.375922     -6.632058      7.168577
  H      -1.514667     -3.808060      6.721296
  H      -2.222725     -4.639647      8.843629
  H      -3.576368     -4.484242      7.720974
  H      -2.221565     -7.132459      8.483812
  H      -3.569181     -6.968358      7.352363
  H      -2.999089     -5.386163     10.764312
  H      -4.654073     -5.542556     12.575635
  H      -7.630865     -8.901080     12.179742
  H      -9.385233     -8.934890     13.920823
  H      -9.812596     -6.911630     15.314438
  H      -8.474004     -4.843146     14.920705
  H      -6.741461     -4.800113     13.153459
  H      -7.118607     -8.069161     10.110049
  H      -5.461129     -7.906777      8.294547
  N      -2.682073     -2.430689      5.101280
  H      -3.201453     -1.793529      5.725720
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5679474-ZHfV/orca E -6457.440674967380
  N      -2.033786     -3.539071      2.452339
  C      -1.947923     -4.556033      1.409432
  C      -2.088290     -5.943286      2.016847
  N      -3.196447     -5.962127      2.991583
  C      -4.533340     -5.938292      2.365524
  C      -5.532081     -5.297648      3.320199
  N      -4.954742     -4.079212      3.886896
  Mo     -2.996310     -3.936443      4.149373
  N      -2.249101     -5.261207      5.469160
  C      -2.003477     -6.629498      5.026097
  C      -3.050637     -7.030631      3.998877
  H      -2.062077     -7.346138      5.862202
  H      -0.985966     -6.749040      4.600647
  H      -4.020289     -7.142641      4.504618
  H      -2.800019     -7.996332      3.519611
  H      -6.457541     -5.085770      2.757347
  H      -5.815556     -6.016727      4.116062
  H      -4.463177     -5.319926      1.459945
  H      -4.851617     -6.954537      2.065229
  H      -0.979386     -4.512667      0.880626
  H      -2.725485     -4.401808      0.632911
  H      -1.170677     -6.189163      2.569122
  H      -2.228332     -6.708954      1.229624
  C      -0.441053     -2.007268      1.272310
  C      -1.783700     -2.157602      1.995919
  C      -2.960593     -1.622647      1.162374
  C      -2.925139     -0.105071      0.919280
  C      -4.199670      0.370855      0.275890
  C      -5.321266      0.691173      1.054845
  C      -6.529766      1.054946      0.466167
  C      -6.665536      1.116879     -0.932003
  C      -7.949800      1.496740     -1.559947
  C      -7.981787      2.243367     -2.751585
  C      -9.193166      2.597647     -3.344657
  C     -10.402803      2.213850     -2.760074
  C     -10.387582      1.472461     -1.575803
  C      -9.175859      1.118126     -0.983585
  C      -5.538395      0.804880     -1.712055
  C      -4.332326      0.438153     -1.118061
  C      -6.672681     -2.412407      3.153700
  C      -5.941813     -3.074471      4.327947
  C      -6.949671     -3.649183      5.337363
  C      -6.290509     -4.280669      6.569562
  C      -7.284493     -4.924980      7.497839
  C      -7.993991     -6.068226      7.098026
  C      -8.925178     -6.670898      7.937435
  C      -9.182327     -6.159675      9.222763
  C     -10.140610     -6.826431     10.129970
  C     -10.319090     -8.221425     10.091029
  C     -11.220217     -8.856062     10.944514
  C     -11.962572     -8.111002     11.863697
  C     -11.791896     -6.725734     11.919444
  C     -10.894468     -6.091570     11.061988
  C      -8.473905     -5.014679      9.621341
  C      -7.547804     -4.410010      8.772644
  C      -0.322086     -5.533152      7.065380
  C      -1.684127     -4.888106      6.782611
  C      -2.681594     -5.079753      7.942668
  C      -3.118969     -6.519021      8.240958
  C      -4.108597     -6.633704      9.376268
  C      -3.905136     -5.985262     10.603999
  C      -4.841251     -6.074320     11.631563
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  C      -8.789388     -8.057108     13.762119
  C      -9.026577     -6.930435     14.552727
  C      -8.275802     -5.772015     14.338720
  C      -7.297104     -5.742826     13.345435
  C      -6.206857     -7.501882     10.263522
  C      -5.274900     -7.397183      9.233922
  H       0.362632     -2.483924      1.851758
  H      -0.189860     -0.943280      1.159954
  H      -0.457990     -2.450400      0.265127
  H      -1.739013     -1.560169      2.920190
  H      -3.888792     -1.871092      1.700861
  H      -3.010512     -2.141306      0.189818
  H      -2.065459      0.156278      0.283347
  H      -2.782227      0.404719      1.886745
  H      -5.241542      0.658670      2.144451
  H      -7.377756      1.321296      1.100084
  H      -7.043455      2.570060     -3.203499
  H      -9.192819      3.185001     -4.264830
  H     -11.350835      2.491022     -3.223999
  H     -11.326260      1.159922     -1.114340
  H      -9.175412      0.516774     -0.072590
  H      -5.616881      0.825740     -2.800762
  H      -3.475051      0.189479     -1.749128
  H      -7.308104     -3.127328      2.609400
  H      -5.958132     -1.977597      2.442517
  H      -7.326445     -1.606214      3.519392
  H      -5.357670     -2.295932      4.841567
  H      -7.587258     -4.396208      4.835373
  H      -7.627690     -2.840728      5.656347
  H      -5.714743     -3.513177      7.110618
  H      -5.555206     -5.029329      6.231084
  H      -7.813409     -6.491653      6.106158
  H      -9.474721     -7.546743      7.587239
  H      -9.724085     -8.819249      9.398216
  H     -11.334271     -9.940952     10.900066
  H     -12.665129     -8.606865     12.535644
  H     -12.365793     -6.132390     12.633653
  H     -10.786438     -5.006342     11.101915
  H      -8.618183     -4.617768     10.627646
  H      -6.995268     -3.532436      9.117386
  H       0.389035     -5.305321      6.258368
  H       0.087520     -5.127876      8.002238
  H      -0.375422     -6.625404      7.174818
  H      -1.516348     -3.802795      6.722206
  H      -2.222786     -4.641963      8.845378
  H      -3.575495     -4.475928      7.722785
  H      -2.230210     -7.133283      8.469929
  H      -3.579492     -6.956888      7.342161
  H      -2.998622     -5.397121     10.762438
  H      -4.649197     -5.562646     12.576820
  H      -7.627122     -8.917846     12.167272
  H      -9.374476     -8.965341     13.915043
  H      -9.797013     -6.952506     15.325289
  H      -8.460961     -4.880634     14.941323
  H      -6.735515     -4.823747     13.167557
  H      -7.123510     -8.070200     10.101461
  H      -5.470916     -7.897774      8.282476
  N      -2.691011     -2.424642      5.100857
  H      -3.214358     -1.793357      5.728093
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5679474-ZHfV/orca E -6457.440689947996
  N      -2.023044     -3.534757      2.453712
  C      -1.935552     -4.551052      1.410196
  C      -2.073974     -5.939309      2.015974
  N      -3.181961     -5.960811      2.990825
  C      -4.518967     -5.936984      2.364958
  C      -5.518011     -5.299222      3.321069
  N      -4.943324     -4.079261      3.887199
  Mo     -2.985032     -3.936103      4.150169
  N      -2.236086     -5.260936      5.468559
  C      -1.989389     -6.628957      5.025253
  C      -3.034889     -7.030782      3.996376
  H      -2.047434     -7.346173      5.860828
  H      -0.971518     -6.746834      4.600156
  H      -4.004605     -7.145692      4.501383
  H      -2.781801     -7.994969      3.515632
  H      -6.445084     -5.090205      2.759865
  H      -5.798168     -6.019387      4.117049
  H      -4.449327     -5.316283      1.460897
  H      -4.836682     -6.952650      2.062212
  H      -0.967289     -4.505553      0.881186
  H      -2.713259     -4.397614      0.633642
  H      -1.156096     -6.185055      2.567938
  H      -2.213265     -6.703866      1.227608
  C      -0.434839     -1.998120      1.273605
  C      -1.777123     -2.152695      1.997104
  C      -2.955914     -1.621476      1.163859
  C      -2.925510     -0.103753      0.921692
  C      -4.203130      0.368320      0.281407
  C      -5.323481      0.685048      1.063601
  C      -6.535014      1.044410      0.478373
  C      -6.675084      1.105287     -0.919382
  C      -7.962724      1.479847     -1.543650
  C      -8.001096      2.225592     -2.735631
  C      -9.215594      2.574860     -3.325326
  C     -10.421989      2.186818     -2.736900
  C     -10.400411      1.446250     -1.552219
  C      -9.185560      1.096939     -0.963405
  C      -5.549090      0.797258     -1.702632
  C      -4.339977      0.434920     -1.112127
  C      -6.659782     -2.413859      3.149301
  C      -5.932574     -3.075895      4.326164
  C      -6.943490     -3.651813      5.331564
  C      -6.288808     -4.282268      6.566641
  C      -7.285481     -4.921098      7.495677
  C      -8.002684     -6.059793      7.096759
  C      -8.936811     -6.656423      7.937111
  C      -9.189425     -6.143501      9.222606
  C     -10.153213     -6.802478     10.129989
  C     -10.345226     -8.195637     10.089449
  C     -11.252076     -8.822481     10.942585
  C     -11.986756     -8.071352     11.862932
  C     -11.802796     -6.687889     11.920237
  C     -10.899623     -6.061394     11.063135
  C      -8.472405     -5.003713      9.620847
  C      -7.543363     -4.404920      8.771132
  C      -0.313318     -5.534281      7.069346
  C      -1.674667     -4.888551      6.783556
  C      -2.675153     -5.080789      7.940896
  C      -3.120588     -6.519158      8.230096
  C      -4.110720     -6.636270      9.364859
  C      -3.905845     -5.993838     10.595315
  C      -4.842267     -6.085084     11.622391
  C      -6.021535     -6.833778     11.467260
  C      -7.046324     -6.880846     12.531906
  C      -7.813915     -8.037304     12.754292
  C      -8.791563     -8.070291     13.747023
  C      -9.026837     -6.946433     14.542202
  C      -8.275293     -5.787917     14.331969
  C      -7.297541     -5.755663     13.337865
  C      -6.211446     -7.503073     10.247762
  C      -5.279139     -7.396054      9.218729
  H       0.370561     -2.470651      1.854039
  H      -0.188093     -0.933294      1.159605
  H      -0.449700     -2.442803      0.267109
  H      -1.734480     -1.555139      2.921421
  H      -3.883129     -1.873192      1.702601
  H      -3.004343     -2.139902      0.191106
  H      -2.067920      0.161239      0.284500
  H      -2.782665      0.405751      1.889339
  H      -5.240202      0.653715      2.152994
  H      -7.382006      1.307930      1.114794
  H      -7.065459      2.555653     -3.190649
  H      -9.220191      3.161622     -4.245859
  H     -11.372454      2.460093     -3.198149
  H     -11.336491      1.130397     -1.087755
  H      -9.180274      0.496151     -0.052048
  H      -5.630718      0.817697     -2.791109
  H      -3.483685      0.189146     -1.745652
  H      -7.285614     -3.131289      2.597361
  H      -5.943096     -1.970881      2.445250
  H      -7.322308     -1.614134      3.513397
  H      -5.351024     -2.297242      4.842449
  H      -7.579180     -4.399018      4.827496
  H      -7.622720     -2.843339      5.648001
  H      -5.712034     -3.514551      7.106457
  H      -5.554412     -5.033511      6.231636
  H      -7.825976     -6.484335      6.104699
  H      -9.492406     -7.528676      7.587540
  H      -9.756341     -8.798289      9.395618
  H     -11.376700     -9.906151     10.896860
  H     -12.693930     -8.561113     12.534523
  H     -12.370696     -6.089833     12.635309
  H     -10.781388     -4.977287     11.103920
  H      -8.611950     -4.606554     10.627701
  H      -6.984641     -3.531115      9.115426
  H       0.398769     -5.308792      6.262521
  H       0.095822     -5.127403      8.005660
  H      -0.367664     -6.626283      7.180912
  H      -1.506411     -3.803296      6.724320
  H      -2.216056     -4.649697      8.846557
  H      -3.565558     -4.471181      7.722133
  H      -2.235217     -7.139861      8.455147
  H      -3.583586     -6.948735      7.328628
  H      -2.997712     -5.408980     10.756567
  H      -4.649021     -5.578270     12.570029
  H      -7.631277     -8.925965     12.147898
  H      -9.376890     -8.978794     13.897441
  H      -9.796426     -6.970829     15.315532
  H      -8.459083     -4.898715     14.938200
  H      -6.735233     -4.836454     13.162908
  H      -7.129591     -8.068230     10.083228
  H      -5.476403     -7.891891      8.265063
  N      -2.686536     -2.422607      5.102416
  H      -3.215768     -1.799310      5.732943
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5679474-ZHfV/orca E -6457.440702711278
  N      -2.020450     -3.532014      2.454559
  C      -1.928195     -4.548737      1.411768
  C      -2.063233     -5.937117      2.017887
  N      -3.172421     -5.961868      2.991352
  C      -4.508760     -5.942111      2.363893
  C      -5.510302     -5.307060      3.319029
  N      -4.940733     -4.083657      3.882865
  Mo     -2.983188     -3.935920      4.149634
  N      -2.231816     -5.258177      5.469601
  C      -1.980892     -6.625835      5.027683
  C      -3.023419     -7.031314      3.997199
  H      -2.037194     -7.342878      5.863446
  H      -0.962197     -6.740480      4.603438
  H      -3.993463     -7.149026      4.501035
  H      -2.766524     -7.994716      3.517061
  H      -6.438733     -5.103358      2.758074
  H      -5.787130     -6.027188      4.116160
  H      -4.439928     -5.321304      1.459838
  H      -4.823479     -6.958643      2.060921
  H      -0.959274     -4.500430      0.884192
  H      -2.704875     -4.397883      0.633652
  H      -1.145449     -6.179847      2.571375
  H      -2.199008     -6.702373      1.229597
  C      -0.433907     -1.992439      1.276111
  C      -1.776698     -2.149510      1.998276
  C      -2.955449     -1.619836      1.163970
  C      -2.925284     -0.102168      0.921540
  C      -4.203353      0.369833      0.281828
  C      -5.322128      0.689764      1.065006
  C      -6.534418      1.048308      0.480724
  C      -6.676558      1.105331     -0.916968
  C      -7.965094      1.478768     -1.540248
  C      -8.004931      2.221473     -2.734040
  C      -9.220211      2.569719     -3.322785
  C     -10.425835      2.183658     -2.731510
  C     -10.402767      1.446100     -1.544988
  C      -9.187107      1.097813     -0.957129
  C      -5.551997      0.794698     -1.701136
  C      -4.342190      0.432983     -1.111606
  C      -6.661550     -2.425646      3.138752
  C      -5.934676     -3.083523      4.318464
  C      -6.945751     -3.661710      5.322095
  C      -6.291826     -4.287960      6.559460
  C      -7.288466     -4.922947      7.491262
  C      -8.011589     -6.058827      7.095435
  C      -8.945776     -6.650767      7.939004
  C      -9.192472     -6.135954      9.224800
  C     -10.157522     -6.789368     10.134883
  C     -10.358064     -8.181318     10.095212
  C     -11.266163     -8.802463     10.951105
  C     -11.993548     -8.046770     11.873494
  C     -11.801273     -6.664394     11.929904
  C     -10.896929     -6.043548     11.069928
  C      -8.468963     -4.999236      9.620320
  C      -7.539991     -4.404964      8.767386
  C      -0.311805     -5.526604      7.074442
  C      -1.674108     -4.883827      6.785568
  C      -2.676581     -5.078082      7.940861
  C      -3.126155     -6.516317      8.223142
  C      -4.115562     -6.636308      9.358554
  C      -3.909022     -5.998197     10.590791
  C      -4.844059     -6.093082     11.618908
  C      -6.023641     -6.840769     11.462600
  C      -7.046341     -6.891391     12.529013
  C      -7.812527     -8.049128     12.749929
  C      -8.788146     -8.085382     13.744632
  C      -9.022434     -6.963719     14.543208
  C      -8.272133     -5.804171     14.334556
  C      -7.296550     -5.768573     13.338440
  C      -6.215497     -7.505709     10.240895
  C      -5.284407     -7.395475      9.211203
  H       0.371918     -2.462906      1.857592
  H      -0.189591     -0.927124      1.161708
  H      -0.446957     -2.437719      0.269847
  H      -1.736057     -1.551896      2.922704
  H      -3.882836     -1.871988      1.702005
  H      -3.002470     -2.138547      0.191293
  H      -2.068151      0.163008      0.283822
  H      -2.781936      0.407676      1.888940
  H      -5.236953      0.661885      2.154337
  H      -7.380137      1.314068      1.117891
  H      -7.069955      2.550064     -3.191453
  H      -9.225920      3.154140     -4.244799
  H     -11.376907      2.456130     -3.191996
  H     -11.338227      1.131777     -1.078253
  H      -9.180887      0.499386     -0.044232
  H      -5.635085      0.812759     -2.789548
  H      -3.487022      0.185113     -1.745829
  H      -7.276963     -3.148226      2.581854
  H      -5.945168     -1.974457      2.439782
  H      -7.333972     -1.633062      3.500306
  H      -5.357439     -2.302007      4.835275
  H      -7.578532     -4.411034      4.817583
  H      -7.627412     -2.854233      5.635972
  H      -5.715795     -3.517797      7.096722
  H      -5.556680     -5.040167      6.228104
  H      -7.839362     -6.484980      6.103301
  H      -9.505931     -7.521115      7.591960
  H      -9.774588     -8.787579      9.399958
  H     -11.397537     -9.885358     10.905935
  H     -12.701741     -8.532075     12.547249
  H     -12.363566     -6.062798     12.646432
  H     -10.772174     -4.960153     11.109942
  H      -8.602782     -4.601395     10.627671
  H      -6.976449     -3.533403      9.109447
  H       0.400335     -5.301668      6.267483
  H       0.096042     -5.116911      8.010039
  H      -0.364376     -6.618487      7.188184
  H      -1.507660     -3.798316      6.726529
  H      -2.217925     -4.651242      8.848696
  H      -3.565224     -4.465293      7.723172
  H      -2.242619     -7.141240      8.443873
  H      -3.591481     -6.939579      7.319898
  H      -3.000357     -5.414509     10.753110
  H      -4.649513     -5.589934     12.568240
  H      -7.630457     -8.936020     12.140729
  H      -9.372461     -8.994704     13.894144
  H      -9.790590     -6.990563     15.317880
  H      -8.455303     -4.916692     14.943493
  H      -6.735065     -4.848635     13.164609
  H      -7.134036     -8.070059     10.075752
  H      -5.482638     -7.888557      8.256306
  N      -2.693941     -2.420312      5.102059
  H      -3.228809     -1.804693      5.735418
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5679474-ZHfV/orca E -6457.440716625842
  N      -2.014102     -3.529863      2.456692
  C      -1.917714     -4.546102      1.413637
  C      -2.049596     -5.934894      2.019127
  N      -3.160372     -5.963305      2.990766
  C      -4.495786     -5.946985      2.361299
  C      -5.499834     -5.313871      3.315024
  N      -4.934731     -4.087552      3.877026
  Mo     -2.978049     -3.936525      4.149350
  N      -2.223540     -5.257653      5.469661
  C      -1.969862     -6.624895      5.028399
  C      -3.010306     -7.032457      3.996717
  H      -2.024875     -7.342092      5.864057
  H      -0.950634     -6.737340      4.604621
  H      -3.980681     -7.151497      4.499682
  H      -2.751143     -7.995518      3.517161
  H      -6.429067     -5.114500      2.753833
  H      -5.774533     -6.033790      4.113057
  H      -4.427243     -5.326491      1.457000
  H      -4.807866     -6.964355      2.058405
  H      -0.948287     -4.494792      0.887289
  H      -2.693643     -4.396647      0.634515
  H      -1.132022     -6.174802      2.574188
  H      -2.181595     -6.700483      1.230510
  C      -0.430490     -1.985129      1.280610
  C      -1.773347     -2.146443      2.001892
  C      -2.953039     -1.619164      1.167403
  C      -2.926091     -0.101145      0.926944
  C      -4.205921      0.369215      0.289344
  C      -5.323291      0.689358      1.074478
  C      -6.537343      1.045397      0.492202
  C      -6.682462      1.099697     -0.905287
  C      -7.972967      1.470245     -1.526455
  C      -8.016415      2.211106     -2.721219
  C      -9.233499      2.556599     -3.307914
  C     -10.437245      2.169514     -2.713513
  C     -10.410546      1.433742     -1.525976
  C      -9.193051      1.088226     -0.940147
  C      -5.559303      0.789139     -1.691341
  C      -4.347784      0.429723     -1.103846
  C      -6.657485     -2.435418      3.124377
  C      -5.932643     -3.089286      4.307747
  C      -6.944937     -3.667915      5.309791
  C      -6.292709     -4.290919      6.549447
  C      -7.290800     -4.921032      7.483321
  C      -8.021922     -6.052320      7.089522
  C      -8.956762     -6.639001      7.936078
  C      -9.196113     -6.123520      9.222905
  C     -10.162472     -6.771372     10.135406
  C     -10.372901     -8.161803     10.095245
  C     -11.282526     -8.777282     10.953552
  C     -12.001516     -8.017394     11.879071
  C     -11.799474     -6.636393     11.936019
  C     -10.893750     -6.021189     11.073460
  C      -8.464409     -4.991304      9.616538
  C      -7.534925     -4.402169      8.760698
  C      -0.307540     -5.524418      7.079678
  C      -1.669569     -4.882502      6.786868
  C      -2.675188     -5.077601      7.939273
  C      -3.130713     -6.515185      8.214241
  C      -4.120146     -6.636895      9.349765
  C      -3.912460     -6.002339     10.583504
  C      -4.846941     -6.099685     11.612045
  C      -6.027142     -6.845934     11.454224
  C      -7.048600     -6.898483     12.521619
  C      -7.814395     -8.056639     12.741687
  C      -8.789002     -8.094262     13.737383
  C      -9.022449     -6.973663     14.537709
  C      -8.272417     -5.813788     14.329995
  C      -7.297911     -5.776811     13.332875
  C      -6.220256     -7.507326     10.230750
  C      -5.289586     -7.395061      9.201022
  H       0.376206     -2.454667      1.861594
  H      -0.188808     -0.919061      1.167981
  H      -0.442414     -2.428865      0.273635
  H      -1.734982     -1.549459      2.926848
  H      -3.880068     -1.874136      1.704484
  H      -2.997857     -2.136936      0.194114
  H      -2.070407      0.166611      0.288337
  H      -2.782428      0.407935      1.894682
  H      -5.235702      0.663421      2.163671
  H      -7.381938      1.311078      1.130873
  H      -7.083018      2.540537     -3.181238
  H      -9.241988      3.139657     -4.230767
  H     -11.389726      2.439789     -3.172391
  H     -11.344478      1.118601     -1.056744
  H      -9.184228      0.491212     -0.026351
  H      -5.644574      0.805494     -2.779615
  H      -3.493726      0.181743     -1.739515
  H      -7.263183     -3.162569      2.562750
  H      -5.940451     -1.977579      2.430505
  H      -7.338707     -1.648721      3.482261
  H      -5.359187     -2.305048      4.824733
  H      -7.575953     -4.418311      4.804728
  H      -7.627673     -2.860278      5.620927
  H      -5.716699     -3.519345      7.084811
  H      -5.557760     -5.045131      6.222093
  H      -7.855352     -6.479172      6.096743
  H      -9.523174     -7.505996      7.590753
  H      -9.795800     -8.771438      9.397603
  H     -11.421766     -9.859170     10.907829
  H     -12.710827     -8.498292     12.554802
  H     -12.355267     -6.031569     12.654891
  H     -10.761368     -4.938712     11.113857
  H      -8.592028     -4.593288     10.624629
  H      -6.965141     -3.534084      9.101217
  H       0.405493     -5.300903      6.273080
  H       0.098932     -5.112674      8.014905
  H      -0.360085     -6.616114      7.195313
  H      -1.503037     -3.796964      6.728451
  H      -2.217192     -4.655526      8.849627
  H      -3.561214     -4.460611      7.722117
  H      -2.250047     -7.145617      8.430763
  H      -3.598413     -6.931135      7.308764
  H      -3.003316     -5.419823     10.747050
  H      -4.651590     -5.599594     12.562814
  H      -7.632967     -8.942553     12.130837
  H      -9.373242     -9.003708     13.886457
  H      -9.790062     -7.001497     15.312883
  H      -8.455015     -4.927169     14.940343
  H      -6.736439     -4.856767     13.159586
  H      -7.139515     -8.070279     10.064606
  H      -5.488365     -7.885731      8.244987
  N      -2.697769     -2.421206      5.105163
  H      -3.239217     -1.816135      5.743198
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5679474-ZHfV/orca E -6457.440734579050
  N      -2.009868     -3.527035      2.460510
  C      -1.907424     -4.541803      1.416431
  C      -2.035617     -5.931424      2.020443
  N      -3.149135     -5.965132      2.988841
  C      -4.482954     -5.953376      2.355958
  C      -5.491071     -5.323106      3.307304
  N      -4.931876     -4.093541      3.868128
  Mo     -2.976453     -3.937829      4.149169
  N      -2.218685     -5.258490      5.469763
  C      -1.961155     -6.624854      5.028556
  C      -2.998496     -7.034182      3.994687
  H      -2.015906     -7.342654      5.863730
  H      -0.940884     -6.734965      4.606466
  H      -3.969676     -7.154879      4.495725
  H      -2.736484     -7.996796      3.515689
  H      -6.420506     -5.128509      2.744790
  H      -5.764029     -6.043054      4.105921
  H      -4.414495     -5.333270      1.451396
  H      -4.790913     -6.972006      2.053023
  H      -0.936874     -4.486451      0.892523
  H      -2.681963     -4.393586      0.635749
  H      -1.118661     -6.167619      2.578086
  H      -2.161919     -6.697258      1.231090
  C      -0.428118     -1.975586      1.290389
  C      -1.771684     -2.142045      2.009249
  C      -2.951411     -1.616530      1.173685
  C      -2.928054     -0.097958      0.936241
  C      -4.208882      0.370595      0.299228
  C      -5.325767      0.691662      1.084677
  C      -6.540700      1.045286      0.502686
  C      -6.687056      1.096193     -0.894800
  C      -7.978557      1.464061     -1.515664
  C      -8.023871      2.202652     -2.711727
  C      -9.241888      2.545544     -3.298052
  C     -10.444651      2.158018     -2.701948
  C     -10.416061      1.424451     -1.513109
  C      -9.197614      1.081549     -0.927613
  C      -5.564412      0.784851     -1.681171
  C      -4.352044      0.427744     -1.093962
  C      -6.658430     -2.450331      3.104250
  C      -5.934754     -3.097383      4.292007
  C      -6.947225     -3.675839      5.294109
  C      -6.295063     -4.293436      6.536284
  C      -7.293669     -4.918497      7.473492
  C      -8.032929     -6.045397      7.082687
  C      -8.967267     -6.626989      7.933404
  C      -9.198021     -6.110846      9.221482
  C     -10.164081     -6.753682     10.137563
  C     -10.383397     -8.142703     10.097360
  C     -11.293190     -8.753123     10.959080
  C     -12.003384     -7.989604     11.888386
  C     -11.792414     -6.609895     11.945545
  C     -10.886760     -5.999752     11.079372
  C      -8.458173     -4.982805      9.612102
  C      -7.529338     -4.398719      8.752239
  C      -0.305492     -5.523802      7.083879
  C      -1.667167     -4.882503      6.787679
  C      -2.675305     -5.078104      7.937730
  C      -3.137053     -6.514921      8.205449
  C      -4.125584     -6.638324      9.341774
  C      -3.915800     -6.007269     10.576917
  C      -4.849084     -6.106785     11.606448
  C      -6.030208     -6.851468     11.447960
  C      -7.049810     -6.905616     12.516930
  C      -7.815785     -8.063680     12.736445
  C      -8.788832     -8.102216     13.733631
  C      -9.020390     -6.982698     14.536016
  C      -8.270100     -5.822843     14.328933
  C      -7.297244     -5.784956     13.330248
  C      -6.225315     -7.509449     10.223025
  C      -5.295735     -7.395353      9.192596
  H       0.378847     -2.445470      1.870697
  H      -0.188574     -0.908646      1.181680
  H      -0.438269     -2.416024      0.281931
  H      -1.736639     -1.546750      2.935424
  H      -3.878640     -1.875072      1.708505
  H      -2.992813     -2.132664      0.199371
  H      -2.073082      0.172898      0.297931
  H      -2.785490      0.409814      1.904791
  H      -5.237277      0.667849      2.173845
  H      -7.384910      1.311537      1.141615
  H      -7.091322      2.532423     -3.173228
  H      -9.251805      3.126902     -4.221963
  H     -11.397861      2.426213     -3.160542
  H     -11.349160      1.108943     -1.042469
  H      -9.187476      0.486270     -0.012704
  H      -5.650575      0.798734     -2.769414
  H      -3.498382      0.179004     -1.729867
  H      -7.253728     -3.183304      2.539019
  H      -5.941496     -1.986098      2.414622
  H      -7.349108     -1.669679      3.457216
  H      -5.365803     -2.308778      4.807445
  H      -7.575938     -4.428686      4.789855
  H      -7.631746     -2.868464      5.601938
  H      -5.719094     -3.519651      7.068528
  H      -5.560273     -5.049661      6.213289
  H      -7.873479     -6.472893      6.089045
  H      -9.540227     -7.490569      7.590281
  H      -9.813097     -8.755392      9.396776
  H     -11.439506     -9.834069     10.913098
  H     -12.712612     -8.466622     12.566936
  H     -12.341289     -6.002256     12.667348
  H     -10.747504     -4.918139     11.120033
  H      -8.579236     -4.583989     10.620705
  H      -6.953422     -3.533767      9.090405
  H       0.408315     -5.301837      6.277508
  H       0.099875     -5.110031      8.018641
  H      -0.358183     -6.615294      7.201495
  H      -1.500278     -3.796984      6.729737
  H      -2.217145     -4.661203      8.850394
  H      -3.558663     -4.456679      7.721903
  H      -2.259471     -7.151406      8.416629
  H      -3.607939     -6.922706      7.297786
  H      -3.006141     -5.425789     10.741004
  H      -4.652191     -5.609650     12.558428
  H      -7.635844     -8.948618     12.123710
  H      -9.373555     -9.011399     13.882435
  H      -9.786995     -7.011249     15.312165
  H      -8.451310     -4.937053     14.940885
  H      -6.735444     -4.865072     13.157246
  H      -7.145506     -8.070843     10.056490
  H      -5.495870     -7.883353      8.235467
  N      -2.706601     -2.425046      5.111789
  H      -3.254717     -1.834411      5.757724
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5679474-ZHfV/orca E -6457.440767580535
  N      -2.005423     -3.522970      2.467717
  C      -1.894557     -4.533717      1.420308
  C      -2.017705     -5.925563      2.020040
  N      -3.135306     -5.968244      2.983390
  C      -4.466719     -5.962658      2.345466
  C      -5.481053     -5.337408      3.293690
  N      -4.930478     -4.103695      3.853889
  Mo     -2.977102     -3.941503      4.148925
  N      -2.213516     -5.263120      5.468057
  C      -1.951352     -6.627906      5.025637
  C      -2.984238     -7.038102      3.988036
  H      -2.007309     -7.347284      5.859495
  H      -0.929415     -6.735592      4.606755
  H      -3.956707     -7.161455      4.485896
  H      -2.718514     -7.999714      3.508860
  H      -6.410291     -5.148891      2.728897
  H      -5.751763     -6.058009      4.092507
  H      -4.398508     -5.342388      1.441006
  H      -4.768300     -6.982986      2.041731
  H      -0.922469     -4.471872      0.899991
  H      -2.667383     -4.385845      0.638006
  H      -1.101748     -6.157232      2.581184
  H      -2.135609     -6.690539      1.228508
  C      -0.424814     -1.960129      1.310506
  C      -1.770095     -2.134913      2.024141
  C      -2.948948     -1.610779      1.186518
  C      -2.932036     -0.091030      0.956078
  C      -4.213755      0.374225      0.318470
  C      -5.331873      0.693648      1.102764
  C      -6.547385      1.043298      0.519519
  C      -6.693038      1.091677     -0.878113
  C      -7.985196      1.455135     -1.500291
  C      -8.031919      2.192337     -2.697128
  C      -9.250588      2.530892     -3.284641
  C     -10.452578      2.140265     -2.688979
  C     -10.422556      1.407993     -1.499393
  C      -9.203454      1.069439     -0.912663
  C      -5.569214      0.781974     -1.663409
  C      -4.356298      0.428826     -1.074943
  C      -6.662855     -2.474257      3.072900
  C      -5.939996     -3.109876      4.267017
  C      -6.951877     -3.686926      5.270905
  C      -6.298749     -4.295275      6.516950
  C      -7.297391     -4.913792      7.459138
  C      -8.046427     -6.035614      7.072591
  C      -8.979425     -6.611207      7.928975
  C      -9.199271     -6.094144      9.218568
  C     -10.164097     -6.731235     10.139629
  C     -10.393763     -8.118567     10.099340
  C     -11.303079     -8.723305     10.965583
  C     -12.002338     -7.955886     11.899926
  C     -11.780839     -6.577787     11.957446
  C     -10.875978     -5.973330     11.086549
  C      -8.449814     -4.970890      9.604788
  C      -7.522394     -4.392870      8.739452
  C      -0.303156     -5.530168      7.086319
  C      -1.663064     -4.886832      6.786195
  C      -2.674108     -5.080415      7.933869
  C      -3.146141     -6.515314      8.192879
  C      -4.132915     -6.639504      9.330704
  C      -3.919478     -6.012036     10.567119
  C      -4.850799     -6.112749     11.598330
  C      -6.033655     -6.854948     11.440280
  C      -7.050646     -6.909578     12.511609
  C      -7.818076     -8.066536     12.731116
  C      -8.788644     -8.104902     13.730671
  C      -9.016196     -6.986359     14.535530
  C      -8.264406     -5.827382     14.328527
  C      -7.294116     -5.789680     13.327383
  C      -6.232260     -7.509432     10.214165
  C      -5.304515     -7.394349      9.182193
  H       0.381802     -2.432082      1.889614
  H      -0.187642     -0.891860      1.209969
  H      -0.431604     -2.393675      0.299034
  H      -1.740747     -1.543622      2.953036
  H      -3.876967     -1.876141      1.716495
  H      -2.984070     -2.122845      0.209815
  H      -2.077209      0.186280      0.320264
  H      -2.793511      0.413169      1.927016
  H      -5.244193      0.670773      2.192023
  H      -7.392640      1.308211      1.157614
  H      -7.100073      2.524441     -3.158398
  H      -9.261599      3.111273     -4.209155
  H     -11.406298      2.405021     -3.148514
  H     -11.354957      1.090034     -1.029013
  H      -9.192234      0.475143      0.002869
  H      -5.654792      0.793819     -2.751728
  H      -3.501697      0.181165     -1.710017
  H      -7.245374     -3.215312      2.504840
  H      -5.946651     -2.003180      2.387174
  H      -7.365140     -1.700654      3.418439
  H      -5.377074     -2.314319      4.778493
  H      -7.577044     -4.444472      4.769295
  H      -7.639476     -2.880263      5.573573
  H      -5.722866     -3.517920      7.044069
  H      -5.564003     -5.054102      6.200047
  H      -7.896536     -6.463969      6.077876
  H      -9.560304     -7.470650      7.588732
  H      -9.832122     -8.734693      9.394755
  H     -11.457600     -9.803100     10.919240
  H     -12.710865     -8.428605     12.582183
  H     -12.321002     -5.967103     12.683237
  H     -10.728715     -4.892785     11.127742
  H      -8.562994     -4.570611     10.613752
  H      -6.939259     -3.531457      9.074295
  H       0.412093     -5.312123      6.280137
  H       0.101783     -5.114128      8.020215
  H      -0.358244     -6.621206      7.207199
  H      -1.493488     -3.801695      6.728380
  H      -2.214395     -4.670847      8.849096
  H      -3.553060     -4.451924      7.720004
  H      -2.273527     -7.160941      8.396689
  H      -3.622026     -6.911642      7.282549
  H      -3.008850     -5.432112     10.730985
  H      -4.651112     -5.618558     12.551237
  H      -7.641197     -8.950635     12.116255
  H      -9.374958     -9.013042     13.879596
  H      -9.781010     -7.014885     15.313449
  H      -8.442578     -4.942299     14.942375
  H      -6.731075     -4.870599     13.154234
  H      -7.154074     -8.068375     10.047984
  H      -5.507359     -7.879151      8.224000
  N      -2.722775     -2.436045      5.126634
  H      -3.280475     -1.871718      5.787931
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5679474-ZHfV/orca E -6457.440817983624
  N      -2.001954     -3.519264      2.478093
  C      -1.880136     -4.522705      1.424447
  C      -1.996081     -5.918620      2.016387
  N      -3.118721     -5.974957      2.973085
  C      -4.447064     -5.978132      2.328796
  C      -5.470125     -5.361368      3.273554
  N      -4.931812     -4.122132      3.833262
  Mo     -2.981567     -3.950290      4.147742
  N      -2.208296     -5.273816      5.463281
  C      -1.940095     -6.636205      5.018426
  C      -2.966429     -7.046803      3.975026
  H      -1.999187     -7.358207      5.850075
  H      -0.915565     -6.741096      4.604984
  H      -3.940624     -7.175335      4.468092
  H      -2.694966     -8.006252      3.494463
  H      -6.398988     -5.181079      2.705691
  H      -5.737004     -6.083473      4.072316
  H      -4.380108     -5.356655      1.425077
  H      -4.739034     -7.000728      2.023164
  H      -0.906303     -4.451196      0.908715
  H      -2.651272     -4.374406      0.640786
  H      -1.081317     -6.144952      2.581642
  H      -2.102795     -6.681115      1.220848
  C      -0.421724     -1.939876      1.341914
  C      -1.769556     -2.126352      2.047543
  C      -2.946728     -1.602030      1.207823
  C      -2.938611     -0.080480      0.989153
  C      -4.220937      0.380577      0.349877
  C      -5.342080      0.694985      1.131715
  C      -6.557683      1.040001      0.545872
  C      -6.700477      1.088435     -0.852010
  C      -7.992702      1.446778     -1.476922
  C      -8.039973      2.184832     -2.673208
  C      -9.258784      2.518360     -3.263277
  C     -10.460404      2.121716     -2.670820
  C     -10.429829      1.388495     -1.481836
  C      -9.210605      1.054970     -0.892504
  C      -5.573664      0.783552     -1.635012
  C      -4.360687      0.435163     -1.043950
  C      -6.673442     -2.513494      3.028298
  C      -5.949913     -3.131032      4.230994
  C      -6.959629     -3.704945      5.239413
  C      -6.303982     -4.297382      6.491716
  C      -7.301404     -4.908828      7.440524
  C      -8.058360     -6.027500      7.060250
  C      -8.989325     -6.596894      7.923086
  C      -9.199528     -6.076772      9.213076
  C     -10.162714     -6.707627     10.139882
  C     -10.401315     -8.093530     10.101508
  C     -11.309942     -8.692240     10.972720
  C     -11.999506     -7.920356     11.910534
  C     -11.768798     -6.543666     11.966459
  C     -10.864951     -5.945248     11.090451
  C      -8.442195     -4.956647      9.592933
  C      -7.516818     -4.384961      8.721293
  C      -0.299032     -5.545592      7.084097
  C      -1.655588     -4.896993      6.780231
  C      -2.668975     -5.084236      7.926590
  C      -3.154631     -6.515721      8.178258
  C      -4.139572     -6.638046      9.317730
  C      -3.922606     -6.010944     10.553897
  C      -4.851972     -6.110056     11.586901
  C      -6.036521     -6.850345     11.431321
  C      -7.051113     -6.902682     12.504977
  C      -7.820343     -8.057795     12.727069
  C      -8.788168     -8.093657     13.729277
  C      -9.011275     -6.974411     14.534355
  C      -8.257766     -5.816914     14.324740
  C      -7.290258     -5.781741     13.320886
  C      -6.238486     -7.504559     10.205770
  C      -5.312578     -7.391056      9.171867
  H       0.384021     -2.415814      1.918988
  H      -0.187142     -0.869889      1.254151
  H      -0.423641     -2.362520      0.325833
  H      -1.747797     -1.542325      2.981169
  H      -3.875930     -1.877257      1.730715
  H      -2.973600     -2.107002      0.227171
  H      -2.083170      0.206796      0.358519
  H      -2.807210      0.417158      1.964381
  H      -5.257030      0.670784      2.221159
  H      -7.405481      1.301154      1.182146
  H      -7.108487      2.521474     -3.131937
  H      -9.270265      3.099529     -4.187293
  H     -11.414237      2.382533     -3.132363
  H     -11.361843      1.065826     -1.013895
  H      -9.198751      0.459877      0.022503
  H      -5.657030      0.795179     -2.723506
  H      -3.503707      0.191202     -1.677263
  H      -7.242642     -3.265256      2.460781
  H      -5.959293     -2.037281      2.343854
  H      -7.388006     -1.746618      3.363589
  H      -5.394749     -2.325038      4.734605
  H      -7.578712     -4.471332      4.743686
  H      -7.653031     -2.900216      5.533726
  H      -5.729801     -3.513469      7.010930
  H      -5.567585     -5.058227      6.183551
  H      -7.917701     -6.458428      6.065358
  H      -9.576748     -7.453462      7.586820
  H      -9.847656     -8.713663      9.394108
  H     -11.471493     -9.771065     10.927551
  H     -12.707153     -8.388560     12.596781
  H     -12.301097     -5.929442     12.695068
  H     -10.710870     -4.865607     11.130766
  H      -8.548677     -4.552980     10.601302
  H      -6.928008     -3.525547      9.051383
  H       0.418089     -5.334757      6.277658
  H       0.106920     -5.126660      8.016244
  H      -0.359190     -6.635778      7.210361
  H      -1.480542     -3.812781      6.721070
  H      -2.205963     -4.682469      8.843635
  H      -3.542074     -4.446831      7.714563
  H      -2.288509     -7.172196      8.375027
  H      -3.636055     -6.899857      7.265370
  H      -3.011167     -5.431932     10.716113
  H      -4.649447     -5.616116     12.539321
  H      -7.646715     -8.942470     12.112100
  H      -9.376238     -9.000313     13.880326
  H      -9.773940     -7.001208     15.314443
  H      -8.432548     -4.931218     14.938666
  H      -6.725905     -4.863887     13.145596
  H      -7.161835     -8.061572     10.041311
  H      -5.518288     -7.874768      8.213727
  N      -2.749648     -2.458404      5.150689
  H      -3.319297     -1.936767      5.836715
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5679474-ZHfV/orca E -6457.440849248243
  N      -2.005388     -3.522665      2.478921
  C      -1.883692     -4.524037      1.423244
  C      -1.998186     -5.920992      2.013496
  N      -3.120512     -5.979375      2.970305
  C      -4.449058     -5.984829      2.326233
  C      -5.473208     -5.369888      3.271162
  N      -4.936540     -4.129576      3.829784
  Mo     -2.986674     -3.955233      4.146461
  N      -2.209848     -5.278934      5.460705
  C      -1.941406     -6.641087      5.015639
  C      -2.966995     -7.051578      3.971602
  H      -2.002565     -7.363251      5.847199
  H      -0.916297     -6.746850      4.603894
  H      -3.941194     -7.181970      4.464066
  H      -2.694429     -8.010330      3.490216
  H      -6.402140     -5.190945      2.703094
  H      -5.738495     -6.092041      4.070412
  H      -4.383705     -5.363125      1.422549
  H      -4.738712     -7.008128      2.020724
  H      -0.910261     -4.451101      0.907025
  H      -2.655895     -4.375243      0.640792
  H      -1.083005     -6.146940      2.578261
  H      -2.104340     -6.682727      1.217181
  C      -0.423770     -1.941647      1.346821
  C      -1.771709     -2.128702      2.051826
  C      -2.948563     -1.601835      1.213377
  C      -2.940232     -0.079961      0.996969
  C      -4.221964      0.381716      0.357147
  C      -5.343948      0.694787      1.138214
  C      -6.558715      1.041360      0.551624
  C      -6.700041      1.092569     -0.846286
  C      -7.991189      1.452963     -1.471973
  C      -8.036591      2.193157     -2.667057
  C      -9.254450      2.528738     -3.257858
  C     -10.457072      2.132120     -2.667397
  C     -10.428394      1.396797     -1.479643
  C      -9.210158      1.061191     -0.889597
  C      -5.572401      0.788516     -1.628628
  C      -4.360245      0.438803     -1.036818
  C      -6.681307     -2.525585      3.021807
  C      -5.954875     -3.137874      4.225213
  C      -6.962466     -3.709718      5.237212
  C      -6.305128     -4.296480      6.491561
  C      -7.301178     -4.910168      7.440244
  C      -8.051821     -6.033457      7.060532
  C      -8.982336     -6.605398      7.922143
  C      -9.198538     -6.083175      9.210373
  C     -10.161388     -6.716260     10.136135
  C     -10.393516     -8.103369     10.099962
  C     -11.301880     -8.704469     10.969865
  C     -11.997712     -7.933820     11.904054
  C     -11.773387     -6.556028     11.957751
  C     -10.869745     -5.955243     11.083153
  C      -8.447464     -4.958772      9.589660
  C      -7.522347     -4.384718      8.719200
  C      -0.296528     -5.552535      7.077535
  C      -1.651849     -4.900989      6.775258
  C      -2.663220     -5.083308      7.924143
  C      -3.148194     -6.514069      8.181765
  C      -4.134225     -6.632680      9.320378
  C      -3.919784     -5.999476     10.554032
  C      -4.850304     -6.094861     11.586177
  C      -6.033674     -6.837603     11.432689
  C      -7.049985     -6.886550     12.504960
  C      -7.819168     -8.041166     12.729763
  C      -8.788200     -8.074276     13.730847
  C      -9.012754     -6.952678     14.532219
  C      -8.259405     -5.795562     14.319803
  C      -7.290663     -5.763136     13.317066
  C      -6.233190     -7.497620     10.209898
  C      -5.306118     -7.387641      9.176518
  H       0.381577     -2.419752      1.922694
  H      -0.187974     -0.871670      1.261819
  H      -0.425938     -2.361734      0.329698
  H      -1.749530     -1.546947      2.986845
  H      -3.877802     -1.877475      1.736267
  H      -2.976378     -2.105411      0.232025
  H      -2.083978      0.208224      0.367862
  H      -2.810165      0.415965      1.973249
  H      -5.260151      0.668405      2.227707
  H      -7.407196      1.301899      1.187258
  H      -7.104192      2.529738     -3.123984
  H      -9.264523      3.111532     -4.180868
  H     -11.410165      2.394611     -3.129505
  H     -11.361239      1.074172     -1.013324
  H      -9.199492      0.464450      0.024357
  H      -5.654786      0.801909     -2.717172
  H      -3.502592      0.195826     -1.669609
  H      -7.255357     -3.278239      2.460423
  H      -5.968635     -2.055004      2.331793
  H      -7.392208     -1.754803      3.355974
  H      -5.399588     -2.329362      4.724566
  H      -7.579373     -4.480164      4.745006
  H      -7.658502     -2.906347      5.528963
  H      -5.733702     -3.509803      7.009550
  H      -5.566058     -5.055375      6.184895
  H      -7.907008     -6.466155      6.067007
  H      -9.564789     -7.465320      7.585828
  H      -9.835317     -8.722613      9.395377
  H     -11.458231     -9.784135     10.926479
  H     -12.705198     -8.403928     12.589165
  H     -12.310483     -5.942672     12.683576
  H     -10.720806     -4.874821     11.121825
  H      -8.558932     -4.553130     10.596689
  H      -6.938533     -3.521772      9.049004
  H       0.420572     -5.344607      6.270353
  H       0.111315     -5.133139      8.008709
  H      -0.358925     -6.642364      7.205782
  H      -1.474349     -3.817335      6.713616
  H      -2.198749     -4.678367      8.839066
  H      -3.536750     -4.447041      7.710761
  H      -2.281560     -7.168645      8.382707
  H      -3.627751     -6.902672      7.269788
  H      -3.009413     -5.418350     10.714719
  H      -4.649524     -5.595932     12.536374
  H      -7.644341     -8.927809     12.118005
  H      -9.376081     -8.980732     13.883811
  H      -9.776127     -6.977453     15.311674
  H      -8.435266     -4.908017     14.930754
  H      -6.726608     -4.845479     13.139777
  H      -7.155466     -8.056741     10.046709
  H      -5.510309     -7.875583      8.220204
  N      -2.757472     -2.468595      5.156940
  H      -3.323078     -1.957273      5.853894
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5679474-ZHfV/orca E -6457.440926974195
  N      -2.011748     -3.524044      2.482765
  C      -1.890043     -4.519817      1.421517
  C      -2.000958     -5.920255      2.005760
  N      -3.121305     -5.984346      2.964329
  C      -4.451300     -5.994409      2.322431
  C      -5.477260     -5.388743      3.271598
  N      -4.946568     -4.145152      3.827883
  Mo     -2.997429     -3.964170      4.145073
  N      -2.212072     -5.286926      5.455098
  C      -1.941011     -6.648226      5.008809
  C      -2.962657     -7.059655      3.961506
  H      -2.006381     -7.371458      5.839505
  H      -0.914017     -6.753195      4.601800
  H      -3.936730     -7.200288      4.451154
  H      -2.682969     -8.013863      3.475451
  H      -6.408535     -5.215224      2.705958
  H      -5.733893     -6.113225      4.071430
  H      -4.391485     -5.367786      1.421698
  H      -4.734708     -7.018218      2.012894
  H      -0.917775     -4.442675      0.904010
  H      -2.664714     -4.370147      0.641815
  H      -1.084426     -6.147458      2.568031
  H      -2.107732     -6.678300      1.206169
  C      -0.428569     -1.935812      1.363025
  C      -1.777682     -2.127118      2.063854
  C      -2.953668     -1.596466      1.226948
  C      -2.946807     -0.073938      1.015843
  C      -4.226200      0.386699      0.370890
  C      -5.353967      0.689815      1.147353
  C      -6.566197      1.036987      0.556019
  C      -6.699500      1.098637     -0.842192
  C      -7.987542      1.460174     -1.472964
  C      -8.027578      2.209019     -2.662952
  C      -9.242568      2.545989     -3.258674
  C     -10.447805      2.142250     -2.678452
  C     -10.424568      1.398319     -1.495889
  C      -9.209276      1.061290     -0.900994
  C      -5.565929      0.803957     -1.620026
  C      -4.356352      0.453925     -1.023528
  C      -6.698601     -2.551574      3.014564
  C      -5.966691     -3.154049      4.219410
  C      -6.970075     -3.724652      5.236123
  C      -6.309727     -4.301830      6.493997
  C      -7.302463     -4.915318      7.445429
  C      -8.044418     -6.046585      7.070968
  C      -8.975476     -6.617830      7.932291
  C      -9.201039     -6.086760      9.215488
  C     -10.166836     -6.716243     10.141260
  C     -10.395032     -8.104288     10.112506
  C     -11.306392     -8.702386     10.981377
  C     -12.009454     -7.927738     11.906819
  C     -11.789045     -6.549215     11.952992
  C     -10.882083     -5.951356     11.079710
  C      -8.457438     -4.956159      9.590059
  C      -7.531594     -4.382853      8.719533
  C      -0.284936     -5.565118      7.057333
  C      -1.638430     -4.906986      6.763220
  C      -2.642006     -5.079998      7.920564
  C      -3.130247     -6.508537      8.185398
  C      -4.119757     -6.621953      9.320918
  C      -3.910418     -5.983004     10.552713
  C      -4.843673     -6.075506     11.582389
  C      -6.025167     -6.821237     11.428956
  C      -7.044529     -6.870999     12.498576
  C      -7.813389     -8.026626     12.720084
  C      -8.784149     -8.062557     13.719374
  C      -9.010939     -6.942766     14.522596
  C      -8.258044     -5.784822     14.313379
  C      -7.287576     -5.749476     13.312424
  C      -6.220667     -7.485273     10.207607
  C      -5.290823     -7.377893      9.176240
  H       0.376591     -2.411929      1.940872
  H      -0.195104     -0.865174      1.279328
  H      -0.426136     -2.355140      0.345661
  H      -1.757330     -1.550937      3.002437
  H      -3.883126     -1.874365      1.748899
  H      -2.981989     -2.096767      0.243897
  H      -2.087103      0.218433      0.393535
  H      -2.824427      0.418087      1.995128
  H      -5.276406      0.655991      2.237119
  H      -7.419568      1.290522      1.187970
  H      -7.092904      2.550975     -3.111147
  H      -9.248749      3.135487     -4.177455
  H     -11.398659      2.405997     -3.144407
  H     -11.359629      1.070277     -1.037860
  H      -9.201768      0.457735      0.008523
  H      -5.642367      0.825080     -2.708867
  H      -3.493980      0.218829     -1.652895
  H      -7.280144     -3.305910      2.463358
  H      -5.988882     -2.089764      2.315320
  H      -7.404279     -1.775283      3.347178
  H      -5.412240     -2.341051      4.711932
  H      -7.581125     -4.503636      4.749939
  H      -7.672945     -2.925754      5.523752
  H      -5.739729     -3.511092      7.007256
  H      -5.568396     -5.059192      6.188401
  H      -7.893527     -6.486656      6.081605
  H      -9.550762     -7.483533      7.598657
  H      -9.831960     -8.727068      9.415058
  H     -11.459218     -9.782778     10.943880
  H     -12.719673     -8.395625     12.590642
  H     -12.331513     -5.932342     12.671830
  H     -10.736759     -4.870267     11.112534
  H      -8.575300     -4.544166     10.593711
  H      -6.954552     -3.514086      9.046031
  H       0.430137     -5.363328      6.246882
  H       0.129708     -5.145148      7.985381
  H      -0.351695     -6.654164      7.189781
  H      -1.456274     -3.824534      6.696591
  H      -2.169694     -4.674485      8.831164
  H      -3.514701     -4.441794      7.709979
  H      -2.264234     -7.161965      8.393383
  H      -3.606624     -6.902153      7.274153
  H      -3.001042     -5.400314     10.713875
  H      -4.645854     -5.572060     12.530866
  H      -7.636496     -8.912371     12.107678
  H      -9.370964     -8.970248     13.869195
  H      -9.775069     -6.969739     15.301213
  H      -8.435692     -4.898518     14.925646
  H      -6.724453     -4.830612     13.138319
  H      -7.141096     -8.046977     10.043685
  H      -5.492420     -7.869369      8.221192
  N      -2.781340     -2.486395      5.171485
  H      -3.338970     -2.010276      5.899154
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5679474-ZHfV/orca E -6457.440970276894
  N      -2.014316     -3.527383      2.483831
  C      -1.892505     -4.519744      1.419267
  C      -1.999610     -5.922447      1.999434
  N      -3.118108     -5.991056      2.959961
  C      -4.449116     -6.003353      2.319958
  C      -5.475615     -5.403370      3.272261
  N      -4.948406     -4.158215      3.827663
  Mo     -2.999398     -3.973118      4.144322
  N      -2.204610     -5.296021      5.449588
  C      -1.934121     -6.656887      5.001866
  C      -2.955386     -7.068547      3.954105
  H      -1.998903     -7.381267      5.831702
  H      -0.907202     -6.761034      4.594272
  H      -3.928604     -7.214475      4.443908
  H      -2.672617     -8.020117      3.464851
  H      -6.408866     -5.233074      2.708879
  H      -5.727093     -6.129842      4.071872
  H      -4.392569     -5.373228      1.421422
  H      -4.729738     -7.026949      2.007232
  H      -0.921718     -4.438644      0.899709
  H      -2.669309     -4.370221      0.641642
  H      -1.081766     -6.150157      2.559433
  H      -2.106862     -6.677809      1.197433
  C      -0.431454     -1.933234      1.371961
  C      -1.781280     -2.128689      2.070091
  C      -2.957250     -1.596172      1.234440
  C      -2.951160     -0.073069      1.028533
  C      -4.230280      0.388680      0.383717
  C      -5.360324      0.682783      1.160351
  C      -6.572411      1.030953      0.569303
  C      -6.703226      1.102807     -0.828642
  C      -7.991027      1.465566     -1.459135
  C      -8.030675      2.222856     -2.643806
  C      -9.245356      2.561197     -3.239360
  C     -10.450674      2.150460     -2.664265
  C     -10.427851      1.398102     -1.487025
  C      -9.212866      1.059696     -0.892346
  C      -5.567299      0.817194     -1.606488
  C      -4.357893      0.466017     -1.010363
  C      -6.705925     -2.570916      3.013886
  C      -5.969854     -3.168655      4.218979
  C      -6.970991     -3.739764      5.237246
  C      -6.310651     -4.311768      6.497861
  C      -7.303083     -4.926654      7.448257
  C      -8.037741     -6.063371      7.075673
  C      -8.971242     -6.634295      7.934462
  C      -9.206529     -6.097286      9.213428
  C     -10.176985     -6.724091     10.136577
  C     -10.402811     -8.112647     10.113060
  C     -11.318375     -8.708024     10.979365
  C     -12.028154     -7.929952     11.896796
  C     -11.810408     -6.550906     11.937504
  C     -10.899037     -5.955734     11.066862
  C      -8.469300     -4.962146      9.586751
  C      -7.540991     -4.389063      8.718511
  C      -0.269915     -5.577722      7.043503
  C      -1.622261     -4.915329      6.753723
  C      -2.621588     -5.081595      7.915865
  C      -3.111149     -6.508162      8.187766
  C      -4.104378     -6.614649      9.320600
  C      -3.900899     -5.965649     10.547947
  C      -4.837912     -6.051426     11.574782
  C      -6.017351     -6.800406     11.423022
  C      -7.041248     -6.843182     12.488720
  C      -7.809718     -7.998225     12.715432
  C      -8.784982     -8.027995     13.710590
  C      -9.016878     -6.902428     14.504243
  C      -8.264249     -5.745356     14.289922
  C      -7.289094     -5.716200     13.293306
  C      -6.207265     -7.474493     10.206056
  C      -5.273852     -7.373518      9.177294
  H       0.373579     -2.408865      1.950382
  H      -0.199988     -0.861985      1.290686
  H      -0.426083     -2.350504      0.353772
  H      -1.762725     -1.555967      3.010913
  H      -3.886616     -1.876017      1.755568
  H      -2.985364     -2.093562      0.249902
  H      -2.090636      0.222839      0.409131
  H      -2.831216      0.415278      2.010011
  H      -5.284505      0.641532      2.249985
  H      -7.427738      1.277352      1.201441
  H      -7.095981      2.570263     -3.087727
  H      -9.251311      3.157246     -4.153905
  H     -11.401288      2.415338     -3.130069
  H     -11.363025      1.064614     -1.033183
  H      -9.205453      0.449572      0.012786
  H      -5.641811      0.846418     -2.695272
  H      -3.493641      0.238090     -1.639784
  H      -7.294576     -3.326199      2.471544
  H      -5.998350     -2.117042      2.307277
  H      -7.406020     -1.789388      3.346050
  H      -5.416411     -2.353405      4.708645
  H      -7.578751     -4.522834      4.753431
  H      -7.677362     -2.942895      5.522004
  H      -5.744580     -3.517814      7.010639
  H      -5.565543     -5.066440      6.194383
  H      -7.879241     -6.507875      6.089475
  H      -9.540824     -7.504222      7.602082
  H      -9.834595     -8.737846      9.422013
  H     -11.469240     -9.788826     10.946074
  H     -12.741988     -8.395615     12.578394
  H     -12.358269     -5.931287     12.649869
  H     -10.755791     -4.874266     11.095057
  H      -8.593861     -4.546250     10.587957
  H      -6.969502     -3.516221      9.043853
  H       0.443105     -5.380313      6.230175
  H       0.149735     -5.157037      7.969012
  H      -0.339569     -6.666191      7.178898
  H      -1.436218     -3.833746      6.684049
  H      -2.146090     -4.672856      8.823314
  H      -3.494012     -4.443080      7.704596
  H      -2.245638     -7.159955      8.403221
  H      -3.584630     -6.907943      7.277818
  H      -2.993142     -5.380029     10.707672
  H      -4.644610     -5.539692     12.519763
  H      -7.629077     -8.888425     12.110655
  H      -9.371162     -8.935425     13.864221
  H      -9.784580     -6.924424     15.279491
  H      -8.445657     -4.854725     14.894782
  H      -6.726382     -4.797844     13.115223
  H      -7.126106     -8.038926     10.042842
  H      -5.471294     -7.872940      8.225499
  N      -2.790450     -2.500820      5.179981
  H      -3.344702     -2.050419      5.926529
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5679474-ZHfV/orca E -6457.441028033311
  N      -2.015084     -3.529756      2.488238
  C      -1.889929     -4.516922      1.419026
  C      -1.990949     -5.922821      1.992803
  N      -3.108243     -5.999305      2.954641
  C      -4.439747     -6.015836      2.315371
  C      -5.468500     -5.425252      3.271213
  N      -4.948627     -4.176869      3.825330
  Mo     -3.000432     -3.985250      4.144580
  N      -2.191455     -5.307943      5.443083
  C      -1.920577     -6.667921      4.993317
  C      -2.940305     -7.080184      3.944337
  H      -1.983061     -7.394207      5.821710
  H      -0.893743     -6.769372      4.584429
  H      -3.912759     -7.233627      4.433355
  H      -2.652203     -8.027868      3.450938
  H      -6.404611     -5.261392      2.710620
  H      -5.712376     -6.154716      4.070413
  H      -4.387207     -5.380447      1.420265
  H      -4.715101     -7.039213      1.997320
  H      -0.920319     -4.428767      0.898440
  H      -2.668110     -4.367810      0.642677
  H      -1.071855     -6.150519      2.550778
  H      -2.097182     -6.674316      1.187139
  C      -0.433778     -1.924351      1.390558
  C      -1.785227     -2.128192      2.082990
  C      -2.961109     -1.595103      1.247572
  C      -2.958122     -0.071106      1.049675
  C      -4.237658      0.391101      0.405605
  C      -5.371189      0.670184      1.182878
  C      -6.583833      1.017937      0.592727
  C      -6.711530      1.104516     -0.804704
  C      -8.000125      1.466389     -1.434294
  C      -8.041471      2.236682     -2.610475
  C      -9.256768      2.574318     -3.205213
  C     -10.460897      2.149811     -2.637698
  C     -10.436368      1.384393     -1.468949
  C      -9.220726      1.046729     -0.875109
  C      -5.572128      0.834358     -1.582803
  C      -4.362094      0.483314     -0.987687
  C      -6.713818     -2.600837      3.005284
  C      -5.974367     -3.190671      4.212931
  C      -6.973338     -3.763329      5.231726
  C      -6.313064     -4.328570      6.495674
  C      -7.306147     -4.941703      7.446263
  C      -8.035604     -6.083376      7.079046
  C      -8.972732     -6.649601      7.936988
  C      -9.216788     -6.102665      9.210022
  C     -10.193477     -6.721952     10.131937
  C     -10.420315     -8.110450     10.118301
  C     -11.341293     -8.698072     10.984073
  C     -12.055829     -7.911943     11.890971
  C     -11.837745     -6.532728     11.921379
  C     -10.920693     -5.945346     11.051277
  C      -8.483624     -4.963301      9.578727
  C      -7.551781     -4.394809      8.711180
  C      -0.245665     -5.593401      7.024853
  C      -1.597060     -4.926205      6.741583
  C      -2.590450     -5.085536      7.909922
  C      -3.084649     -6.509210      8.186798
  C      -4.083827     -6.606801      9.315493
  C      -3.886926     -5.948879     10.538868
  C      -4.829389     -6.027443     11.561556
  C      -6.008068     -6.776960     11.408826
  C      -7.037643     -6.811828     12.469256
  C      -7.808895     -7.964619     12.698671
  C      -8.790730     -7.986738     13.687679
  C      -9.026190     -6.855653     14.472390
  C      -8.270384     -5.701200     14.255699
  C      -7.288809     -5.679638     13.265147
  C      -6.191792     -7.459737     10.195524
  C      -5.252832     -7.366600      9.171336
  H       0.371165     -2.397642      1.970957
  H      -0.207348     -0.851809      1.312685
  H      -0.422363     -2.338970      0.371323
  H      -1.771626     -1.560576      3.027084
  H      -3.890590     -1.879350      1.765956
  H      -2.986363     -2.087989      0.260681
  H      -2.097344      0.230995      0.433713
  H      -2.841364      0.412245      2.034071
  H      -5.297505      0.617998      2.272178
  H      -7.442080      1.252258      1.225497
  H      -7.107928      2.594795     -3.048246
  H      -9.264155      3.180549     -4.113028
  H     -11.411993      2.414133     -3.102849
  H     -11.370617      1.040185     -1.021263
  H      -9.211864      0.426466      0.023099
  H      -5.644092      0.875710     -2.671367
  H      -3.494999      0.267377     -1.617416
  H      -7.308199     -3.359450      2.473807
  H      -6.007992     -2.156546      2.290937
  H      -7.409322     -1.813798      3.333952
  H      -5.424698     -2.371213      4.699585
  H      -7.576685     -4.551184      4.750081
  H      -7.683896     -2.968703      5.512481
  H      -5.751239     -3.530413      7.006788
  H      -5.564204     -5.081225      6.196123
  H      -7.869746     -6.535445      6.097484
  H      -9.538203     -7.523799      7.608828
  H      -9.848092     -8.741561      9.435992
  H     -11.492848     -9.778985     10.958577
  H     -12.774313     -8.371402     12.571919
  H     -12.389704     -5.906725     12.624951
  H     -10.777090     -4.863772     11.071000
  H      -8.613587     -4.540548     10.576319
  H      -6.984000     -3.518213      9.032813
  H       0.463288     -5.401306      6.206674
  H       0.181448     -5.171638      7.946426
  H      -0.318605     -6.681176      7.163872
  H      -1.406019     -3.845729      6.668954
  H      -2.109624     -4.675916      8.814099
  H      -3.461322     -4.444045      7.700269
  H      -2.221806     -7.162020      8.410022
  H      -3.555416     -6.912941      7.277296
  H      -2.979852     -5.362334     10.698984
  H      -4.641120     -5.508943     12.503872
  H      -7.626131     -8.858893     12.100539
  H      -9.379107     -8.892438     13.843002
  H      -9.799417     -6.871271     15.242276
  H      -8.454313     -4.806436     14.853672
  H      -6.723623     -4.763176     13.085096
  H      -7.109928     -8.024858     10.031070
  H      -5.445100     -7.873808      8.222571
  N      -2.806879     -2.519759      5.193148
  H      -3.353734     -2.112563      5.969655
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5679474-ZHfV/orca E -6457.441067916591
  N      -2.020169     -3.534193      2.491645
  C      -1.893796     -4.517944      1.419395
  C      -1.991375     -5.925705      1.988818
  N      -3.107138     -6.006357      2.952656
  C      -4.439322     -6.024008      2.314543
  C      -5.468398     -5.438306      3.273117
  N      -4.951747     -4.188662      3.826714
  Mo     -3.003421     -3.995480      4.146693
  N      -2.182338     -5.319371      5.438295
  C      -1.914633     -6.679157      4.986698
  C      -2.936386     -7.089797      3.939206
  H      -1.973789     -7.406724      5.814191
  H      -0.889221     -6.780307      4.573732
  H      -3.907943     -7.245450      4.429276
  H      -2.647593     -8.035744      3.443015
  H      -6.406429     -5.277515      2.714749
  H      -5.708402     -6.169662      4.071797
  H      -4.388946     -5.385241      1.421724
  H      -4.712697     -7.046793      1.992902
  H      -0.925131     -4.425543      0.897706
  H      -2.672787     -4.368309      0.643903
  H      -1.071129     -6.154541      2.544365
  H      -2.098802     -6.674393      1.180758
  C      -0.437560     -1.922317      1.405547
  C      -1.791094     -2.131059      2.092490
  C      -2.965611     -1.597057      1.255540
  C      -2.962972     -0.072457      1.062940
  C      -4.242390      0.392191      0.419974
  C      -5.378811      0.658606      1.197756
  C      -6.591413      1.007919      0.608514
  C      -6.716018      1.108813     -0.788327
  C      -8.004930      1.471779     -1.416970
  C      -8.047076      2.254746     -2.584667
  C      -9.262590      2.593361     -3.178490
  C     -10.466008      2.157104     -2.618427
  C     -10.440630      1.378956     -1.458167
  C      -9.224712      1.040357     -0.865234
  C      -5.573907      0.851743     -1.566492
  C      -4.363733      0.498897     -0.972342
  C      -6.722272     -2.619151      3.004812
  C      -5.979376     -3.204361      4.213171
  C      -6.975938     -3.777797      5.233510
  C      -6.314125     -4.339543      6.498359
  C      -7.307566     -4.954750      7.447312
  C      -8.028494     -6.102548      7.083205
  C      -8.967943     -6.668181      7.939054
  C      -9.222794     -6.114392      9.206906
  C     -10.202596     -6.732196     10.126409
  C     -10.422398     -8.121820     10.122004
  C     -11.346154     -8.707421     10.986087
  C     -12.070767     -7.917869     11.882062
  C     -11.860092     -6.537289     11.903065
  C     -10.940003     -5.952086     11.034643
  C      -8.497726     -4.968797      9.572867
  C      -7.563585     -4.400954      8.707452
  C      -0.225283     -5.607809      7.007243
  C      -1.576600     -4.937210      6.731330
  C      -2.563831     -5.091677      7.905721
  C      -3.057645     -6.513633      8.190903
  C      -4.062714     -6.601714      9.315579
  C      -3.872835     -5.932999     10.533978
  C      -4.821283     -6.002959     11.552080
  C      -5.999044     -6.753643     11.398927
  C      -7.035012     -6.778274     12.453227
  C      -7.809097     -7.928114     12.687852
  C      -8.798828     -7.939668     13.669218
  C      -9.039265     -6.800724     14.440893
  C      -8.280371     -5.649247     14.219233
  C      -7.290988     -5.638294     13.236236
  C      -6.175424     -7.447615     10.190855
  C      -5.230608     -7.363474      9.171582
  H       0.366106     -2.394984      1.988149
  H      -0.213691     -0.849061      1.330550
  H      -0.421286     -2.334814      0.385486
  H      -1.781821     -1.566621      3.038582
  H      -3.896050     -1.883417      1.770816
  H      -2.987787     -2.086948      0.267095
  H      -2.102242      0.232528      0.448349
  H      -2.846579      0.407806      2.048941
  H      -5.307362      0.595457      2.286608
  H      -7.451922      1.231963      1.241923
  H      -7.114373      2.622026     -3.016601
  H      -9.270593      3.209494     -4.079607
  H     -11.417273      2.422117     -3.082858
  H     -11.374266      1.025521     -1.016451
  H      -9.215446      0.410267      0.026106
  H      -5.643272      0.904867     -2.654720
  H      -3.494340      0.293080     -1.602269
  H      -7.326511     -3.378949      2.486095
  H      -6.017742     -2.187945      2.281352
  H      -7.408975     -1.823514      3.330983
  H      -5.431292     -2.382474      4.697485
  H      -7.577963     -4.567733      4.753603
  H      -7.687756     -2.983779      5.512888
  H      -5.757434     -3.538160      7.010116
  H      -5.561186     -5.088744      6.200576
  H      -7.853144     -6.559582      6.105552
  H      -9.526844     -7.547728      7.613889
  H      -9.841818     -8.754906      9.448595
  H     -11.492280     -9.789227     10.967866
  H     -12.791693     -8.375547     12.561635
  H     -12.420351     -5.908657     12.597678
  H     -10.801985     -4.869676     11.046524
  H      -8.635432     -4.540806     10.567162
  H      -7.002007     -3.519587      9.026852
  H       0.478411     -5.419146      6.183688
  H       0.209381     -5.185702      7.925054
  H      -0.300464     -6.695144      7.148336
  H      -1.381488     -3.857630      6.656718
  H      -2.079248     -4.677726      8.805940
  H      -3.435307     -4.450548      7.696667
  H      -2.195746     -7.164430      8.423268
  H      -3.524821     -6.924916      7.283013
  H      -2.966830     -5.344762     10.693806
  H      -4.638766     -5.476271     12.490967
  H      -7.623412     -8.828106     12.099240
  H      -9.389768     -8.843009     13.828241
  H      -9.819288     -6.807740     15.204021
  H      -8.467922     -4.748518     14.807037
  H      -6.723321     -4.724233     13.051885
  H      -7.092590     -8.014122     10.025788
  H      -5.416793     -7.880281      8.226759
  N      -2.816802     -2.533772      5.201789
  H      -3.348372     -2.157373      6.004204
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5679474-ZHfV/orca E -6457.441091775375
  N      -2.032980     -3.539698      2.501154
  C      -1.902933     -4.515607      1.421815
  C      -1.993955     -5.927471      1.981951
  N      -3.108563     -6.018495      2.946676
  C      -4.441089     -6.040389      2.309276
  C      -5.472558     -5.462101      3.270126
  N      -4.963522     -4.209014      3.822610
  Mo     -3.016133     -4.012286      4.149519
  N      -2.172487     -5.336981      5.428792
  C      -1.908392     -6.696187      4.974352
  C      -2.933206     -7.104643      3.929282
  H      -1.963467     -7.425577      5.800623
  H      -0.884767     -6.797210      4.556439
  H      -3.903508     -7.262157      4.421172
  H      -2.644425     -8.049071      3.430109
  H      -6.412596     -5.307392      2.713484
  H      -5.706976     -6.195622      4.068544
  H      -4.394522     -5.398680      1.418343
  H      -4.709539     -7.063510      1.984498
  H      -0.935123     -4.414721      0.900105
  H      -2.682868     -4.363324      0.647920
  H      -1.072106     -6.156505      2.534682
  H      -2.099857     -6.671191      1.169157
  C      -0.443447     -1.916317      1.442128
  C      -1.802407     -2.133054      2.115772
  C      -2.971244     -1.595453      1.273067
  C      -2.971531     -0.069208      1.094556
  C      -4.248678      0.398205      0.448764
  C      -5.392922      0.644685      1.221875
  C      -6.602989      0.995974      0.628741
  C      -6.717064      1.118687     -0.767355
  C      -8.003681      1.483020     -1.400191
  C      -8.042442      2.285222     -2.554794
  C      -9.255793      2.624795     -3.152579
  C     -10.460248      2.170148     -2.609607
  C     -10.438143      1.372694     -1.462506
  C      -9.224341      1.033193     -0.865553
  C      -5.567464      0.881751     -1.540415
  C      -4.359579      0.526844     -0.942397
  C      -6.742867     -2.653868      2.991071
  C      -5.996189     -3.227936      4.202630
  C      -6.988844     -3.800894      5.227301
  C      -6.323052     -4.354383      6.493769
  C      -7.315587     -4.971086      7.443295
  C      -8.027363     -6.126112      7.084852
  C      -8.966352     -6.691679      7.941383
  C      -9.230131     -6.130340      9.204049
  C     -10.208316     -6.748857     10.124387
  C     -10.415187     -8.140383     10.132398
  C     -11.337363     -8.726320     10.997861
  C     -12.073536     -7.935037     11.882937
  C     -11.875702     -6.552337     11.891722
  C     -10.956992     -5.967057     11.021958
  C      -8.514700     -4.976705      9.564076
  C      -7.580758     -4.409373      8.698338
  C      -0.201989     -5.632149      6.981483
  C      -1.551049     -4.953557      6.713795
  C      -2.530447     -5.097194      7.896136
  C      -3.030763     -6.514935      8.189955
  C      -4.040178     -6.590045      9.312096
  C      -3.855665     -5.907754     10.523778
  C      -4.809022     -5.966498     11.538269
  C      -5.986357     -6.718553     11.387758
  C      -7.028081     -6.729670     12.436412
  C      -7.806806     -7.874668     12.678542
  C      -8.804301     -7.872205     13.652038
  C      -9.047716     -6.723793     14.408444
  C      -8.283896     -5.576855     14.179649
  C      -7.286994     -5.579939     13.204200
  C      -6.156570     -7.426716     10.187237
  C      -5.207037     -7.354061      9.171727
  H       0.355861     -2.392784      2.027568
  H      -0.220856     -0.842104      1.377851
  H      -0.418347     -2.320347      0.418848
  H      -1.802628     -1.575937      3.066163
  H      -3.905323     -1.889106      1.777484
  H      -2.982788     -2.076454      0.280113
  H      -2.108726      0.243669      0.486823
  H      -2.861107      0.402727      2.085251
  H      -5.329798      0.563930      2.310068
  H      -7.469758      1.204153      1.259011
  H      -7.109323      2.666690     -2.973350
  H      -9.261172      3.255990     -4.043229
  H     -11.409817      2.435798     -3.077152
  H     -11.372454      1.004797     -1.034239
  H      -9.217850      0.388203      0.015088
  H      -5.628393      0.952276     -2.628168
  H      -3.483969      0.336780     -1.568632
  H      -7.353267     -3.418134      2.486115
  H      -6.040042     -2.235222      2.258627
  H      -7.424151     -1.851163      3.310921
  H      -5.452480     -2.399925      4.681433
  H      -7.588651     -4.595056      4.751653
  H      -7.702861     -3.007889      5.503929
  H      -5.772352     -3.547883      7.003873
  H      -5.565497     -5.100291      6.199598
  H      -7.844343     -6.588637      6.111168
  H      -9.518249     -7.577529      7.621319
  H      -9.825076     -8.774021      9.467786
  H     -11.473542     -9.809547     10.989363
  H     -12.793340     -8.392826     12.563620
  H     -12.445175     -5.922499     12.577694
  H     -10.828735     -4.883356     11.024087
  H      -8.659583     -4.542129     10.554489
  H      -7.026136     -3.522020      9.013267
  H       0.494923     -5.452812      6.150076
  H       0.244048     -5.207933      7.892744
  H      -0.283556     -6.718185      7.128928
  H      -1.347627     -3.875841      6.634677
  H      -2.037881     -4.681569      8.791313
  H      -3.399465     -4.451643      7.689552
  H      -2.173206     -7.169063      8.428622
  H      -3.498170     -6.929697      7.283736
  H      -2.950709     -5.317270     10.681071
  H      -4.631159     -5.429405     12.472115
  H      -7.619750     -8.781595     12.101106
  H      -9.399788     -8.771565     13.816250
  H      -9.834378     -6.719708     15.164757
  H      -8.473511     -4.668891     14.755534
  H      -6.715585     -4.669545     13.013473
  H      -7.073028     -7.994955     10.024065
  H      -5.388201     -7.882309      8.232234
  N      -2.847832     -2.560096      5.221398
  H      -3.369311     -2.245460      6.056911
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5679474-ZHfV/orca E -6457.441108804900
  N      -2.051766     -3.548413      2.499845
  C      -1.929072     -4.526431      1.421733
  C      -2.025191     -5.936847      1.983954
  N      -3.136538     -6.020427      2.953157
  C      -4.471018     -6.035687      2.319859
  C      -5.497027     -5.449689      3.281785
  N      -4.979360     -4.200511      3.835371
  Mo     -3.029420     -4.013792      4.153913
  N      -2.182367     -5.339951      5.428574
  C      -1.929058     -6.701477      4.974895
  C      -2.963640     -7.105263      3.937656
  H      -1.981092     -7.429159      5.802798
  H      -0.909260     -6.808636      4.549239
  H      -3.932413     -7.252887      4.435589
  H      -2.685185     -8.053662      3.439990
  H      -6.436452     -5.288215      2.725910
  H      -5.736668     -6.181952      4.079916
  H      -4.422800     -5.396505      1.427220
  H      -4.746463     -7.057847      1.997935
  H      -0.961946     -4.430735      0.897641
  H      -2.709743     -4.370964      0.649202
  H      -1.102216     -6.170491      2.532752
  H      -2.138922     -6.680988      1.172592
  C      -0.451501     -1.936193      1.440703
  C      -1.813468     -2.144110      2.111282
  C      -2.976904     -1.602662      1.263302
  C      -2.969000     -0.076510      1.083071
  C      -4.242101      0.398075      0.434516
  C      -5.389743      0.641273      1.203804
  C      -6.595758      1.000538      0.607412
  C      -6.702370      1.134589     -0.788340
  C      -7.984909      1.507441     -1.424595
  C      -8.016027      2.318922     -2.572880
  C      -9.225617      2.666396     -3.173804
  C     -10.433859      2.210522     -2.640331
  C     -10.419299      1.403878     -1.499581
  C      -9.209239      1.056490     -0.899450
  C      -5.549690      0.900655     -1.557412
  C      -4.345631      0.537906     -0.956036
  C      -6.755491     -2.634101      3.019460
  C      -6.006460     -3.217541      4.224935
  C      -6.997466     -3.791757      5.251048
  C      -6.328127     -4.354189      6.511683
  C      -7.318975     -4.982272      7.455758
  C      -8.014243     -6.146082      7.093614
  C      -8.949834     -6.723758      7.945817
  C      -9.226883     -6.165704      9.207134
  C     -10.197230     -6.799959     10.124635
  C     -10.376031     -8.195298     10.136759
  C     -11.289918     -8.796690     11.000388
  C     -12.045892     -8.017138     11.879249
  C     -11.875780     -6.630639     11.884029
  C     -10.965057     -6.030153     11.016359
  C      -8.529904     -5.001595      9.569750
  C      -7.598797     -4.422765      8.708775
  C      -0.201899     -5.637379      6.967083
  C      -1.551640     -4.956453      6.708844
  C      -2.523254     -5.097055      7.898014
  C      -3.015290     -6.514985      8.205657
  C      -4.025690     -6.583603      9.327431
  C      -3.844801     -5.891094     10.533965
  C      -4.800779     -5.942774     11.546450
  C      -5.976782     -6.697928     11.399082
  C      -7.023012     -6.699784     12.443237
  C      -7.804013     -7.841873     12.691165
  C      -8.808098     -7.829505     13.657661
  C      -9.055811     -6.673885     14.401465
  C      -8.289479     -5.529590     14.167252
  C      -7.286109     -5.542602     13.198513
  C      -6.142210     -7.417238     10.204787
  C      -5.190409     -7.351342      9.191033
  H       0.343341     -2.416241      2.029281
  H      -0.222693     -0.863349      1.375095
  H      -0.425959     -2.342221      0.418191
  H      -1.813563     -1.584246      3.059939
  H      -3.914414     -1.891699      1.764093
  H      -2.986307     -2.084260      0.270651
  H      -2.103911      0.230475      0.475524
  H      -2.856476      0.396437      2.073059
  H      -5.332515      0.551714      2.291619
  H      -7.465008      1.206171      1.235090
  H      -7.080056      2.701412     -2.984100
  H      -9.224908      3.304718     -4.059378
  H     -11.380485      2.482273     -3.110340
  H     -11.356525      1.034864     -1.078703
  H      -9.209115      0.404563     -0.023908
  H      -5.604731      0.979804     -2.644886
  H      -3.467365      0.350461     -1.579319
  H      -7.379798     -3.391252      2.520757
  H      -6.052826     -2.225356      2.281308
  H      -7.423441     -1.822391      3.344463
  H      -5.457425     -2.394527      4.706399
  H      -7.603051     -4.580478      4.773751
  H      -7.706486     -2.996819      5.534844
  H      -5.780241     -3.550142      7.028377
  H      -5.568671     -5.095328      6.210792
  H      -7.819282     -6.605677      6.120807
  H      -9.488597     -7.617173      7.624314
  H      -9.769907     -8.818742      9.476875
  H     -11.404331     -9.882456     10.995415
  H     -12.759330     -8.486802     12.558541
  H     -12.460828     -6.010229     12.565467
  H     -10.857712     -4.944135     11.015466
  H      -8.686229     -4.568655     10.559162
  H      -7.056841     -3.528426      9.025994
  H       0.488591     -5.458653      6.130201
  H       0.251562     -5.214721      7.875359
  H      -0.284874     -6.723370      7.114001
  H      -1.346454     -3.879239      6.627476
  H      -2.027283     -4.672970      8.787442
  H      -3.396077     -4.456592      7.692304
  H      -2.154516     -7.162148      8.451047
  H      -3.480832     -6.941643      7.304049
  H      -2.941381     -5.297452     10.688239
  H      -4.626501     -5.397436     12.476167
  H      -7.614397     -8.754067     12.122982
  H      -9.406252     -8.726350     13.825603
  H      -9.847849     -6.662106     15.152082
  H      -8.482145     -4.616169     14.733411
  H      -6.712985     -4.634378     13.002714
  H      -7.057157     -7.988683     10.044323
  H      -5.367903     -7.888140      8.255683
  N      -2.847193     -2.554654      5.214292
  H      -3.354038     -2.228463      6.054449
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5679474-ZHfV/orca E -6457.441124250376
  N      -2.058389     -3.550620      2.500720
  C      -1.935531     -4.528431      1.422317
  C      -2.033540     -5.938946      1.984364
  N      -3.145859     -6.021893      2.952118
  C      -4.479790     -6.036305      2.317800
  C      -5.506274     -5.448129      3.277846
  N      -4.987802     -4.199394      3.831939
  Mo     -3.037977     -4.014968      4.153437
  N      -2.192275     -5.341135      5.428243
  C      -1.940313     -6.703219      4.975314
  C      -2.975177     -7.105728      3.937913
  H      -1.994937     -7.430313      5.803639
  H      -0.920219     -6.812637      4.551182
  H      -3.944413     -7.250325      4.435856
  H      -2.699173     -8.055618      3.441609
  H      -6.444309     -5.285235      2.720070
  H      -5.748375     -6.179539      4.076017
  H      -4.430183     -5.398961      1.423922
  H      -4.755984     -7.058826      1.997644
  H      -0.967499     -4.433855      0.899763
  H      -2.715296     -4.371605      0.649263
  H      -1.111121     -6.172890      2.533990
  H      -2.146511     -6.683247      1.173011
  C      -0.452905     -1.941508      1.444515
  C      -1.816484     -2.146666      2.112678
  C      -2.977019     -1.602877      1.262373
  C      -2.967185     -0.076577      1.083234
  C      -4.238145      0.399593      0.431945
  C      -5.387190      0.645112      1.198243
  C      -6.590849      1.007295      0.598904
  C      -6.693827      1.141879     -0.797039
  C      -7.973668      1.518340     -1.436363
  C      -7.999787      2.329795     -2.584818
  C      -9.206925      2.680800     -3.188571
  C     -10.417777      2.228636     -2.657870
  C     -10.408212      1.422074     -1.516995
  C      -9.200641      1.071116     -0.914039
  C      -5.539736      0.905153     -1.563346
  C      -4.338059      0.539758     -0.958956
  C      -6.762454     -2.631522      3.016425
  C      -6.014454     -3.216096      4.221593
  C      -7.005322     -3.790390      5.248251
  C      -6.334682     -4.352056      6.508567
  C      -7.323183     -4.983189      7.453069
  C      -8.013908     -6.149803      7.090613
  C      -8.945499     -6.732554      7.943719
  C      -9.222902     -6.176973      9.206153
  C     -10.186649     -6.818162     10.125760
  C     -10.355393     -8.214815     10.137141
  C     -11.261805     -8.823549     11.003569
  C     -12.020224     -8.050234     11.885790
  C     -11.860079     -6.662554     11.891138
  C     -10.956766     -6.054758     11.020922
  C      -8.531479     -5.009590      9.568444
  C      -7.604333     -4.425770      8.706538
  C      -0.211322     -5.638793      6.966106
  C      -1.560406     -4.956628      6.707853
  C      -2.531197     -5.094205      7.897946
  C      -3.025270     -6.511126      8.207235
  C      -4.032227     -6.578820      9.331843
  C      -3.849261     -5.882770     10.536200
  C      -4.802352     -5.933157     11.551226
  C      -5.977336     -6.691153     11.409350
  C      -7.021317     -6.691967     12.455862
  C      -7.799101     -7.835043     12.709367
  C      -8.801004     -7.821859     13.677993
  C      -9.049841     -6.664421     14.418591
  C      -8.286635     -5.519107     14.178998
  C      -7.285379     -5.532948     13.208120
  C      -6.144731     -7.413940     10.217488
  C      -5.195922     -7.348856      9.200699
  H       0.339901     -2.424342      2.033601
  H      -0.221006     -0.869188      1.380789
  H      -0.426922     -2.346272      0.421536
  H      -1.817116     -1.587078      3.061447
  H      -3.916250     -1.891662      1.760339
  H      -2.984408     -2.083369      0.269153
  H      -2.100324      0.229471      0.477733
  H      -2.856354      0.395483      2.073808
  H      -5.332926      0.555115      2.286183
  H      -7.461178      1.215142      1.224356
  H      -7.061649      2.709425     -2.993753
  H      -9.202285      3.319034     -4.074200
  H     -11.362489      2.503187     -3.130083
  H     -11.347495      1.055882     -1.098230
  H      -9.204338      0.419327     -0.038399
  H      -5.592029      0.984243     -2.650952
  H      -3.458642      0.350528     -1.580089
  H      -7.381759     -3.388587      2.511515
  H      -6.059029     -2.216209      2.282492
  H      -7.435053     -1.824003      3.342460
  H      -5.465216     -2.393511      4.703542
  H      -7.610631     -4.579538      4.771305
  H      -7.714780     -2.996061      5.532551
  H      -5.787372     -3.547586      7.025174
  H      -5.574490     -5.092303      6.207095
  H      -7.818730     -6.607824      6.117119
  H      -9.480592     -7.628099      7.622027
  H      -9.747364     -8.833394      9.474457
  H     -11.368283     -9.910123     10.998203
  H     -12.727738     -8.525682     12.567244
  H     -12.446914     -6.047053     12.575481
  H     -10.856775     -4.968021     11.021172
  H      -8.688960     -4.578092     10.558324
  H      -7.066109     -3.529139      9.023703
  H       0.478907     -5.462444      6.128536
  H       0.243138     -5.215020      7.873382
  H      -0.295628     -6.724385      7.115181
  H      -1.354611     -3.879708      6.624603
  H      -2.033126     -4.670736      8.786498
  H      -3.403153     -4.452405      7.693064
  H      -2.164828     -7.159777      8.449897
  H      -3.493930     -6.936673      7.306661
  H      -2.946643     -5.286891     10.686491
  H      -4.626453     -5.384763     12.478848
  H      -7.608388     -8.748669     12.143915
  H      -9.396932     -8.719428     13.849977
  H      -9.839926     -6.652239     15.171262
  H      -8.480104     -4.604391     14.742792
  H      -6.714991     -4.623955     13.007930
  H      -7.059074     -7.987484     10.061281
  H      -5.375257     -7.887721      8.266903
  N      -2.855887     -2.554639      5.212624
  H      -3.367478     -2.226663      6.049298
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5679474-ZHfV/orca E -6457.441142167438
  N      -2.084211     -3.562279      2.506681
  C      -1.963050     -4.536428      1.424323
  C      -2.065947     -5.948862      1.981785
  N      -3.179110     -6.031442      2.947805
  C      -4.512714     -6.042149      2.312859
  C      -5.538925     -5.450503      3.271134
  N      -5.017814     -4.203206      3.825973
  Mo     -3.067561     -4.027220      4.154740
  N      -2.216647     -5.356030      5.422877
  C      -1.974685     -6.719955      4.970274
  C      -3.013440     -7.115126      3.934189
  H      -2.035891     -7.446524      5.798935
  H      -0.955295     -6.837983      4.547079
  H      -3.982921     -7.251777      4.433927
  H      -2.746092     -8.068009      3.438693
  H      -6.474648     -5.283956      2.710585
  H      -5.785310     -6.180888      4.068889
  H      -4.460944     -5.407130      1.417459
  H      -4.791279     -7.064749      1.994905
  H      -0.993730     -4.443310      0.904110
  H      -2.741732     -4.373724      0.651674
  H      -1.144233     -6.186512      2.531077
  H      -2.179727     -6.690740      1.168315
  C      -0.462095     -1.958303      1.467568
  C      -1.831567     -2.158213      2.125164
  C      -2.982690     -1.605630      1.268114
  C      -2.966051     -0.078513      1.096407
  C      -4.229685      0.405193      0.437028
  C      -5.385622      0.647503      1.193674
  C      -6.581788      1.019590      0.585579
  C      -6.670525      1.167394     -0.809964
  C      -7.942071      1.555267     -1.458485
  C      -7.953277      2.376485     -2.600281
  C      -9.152737      2.738547     -3.212650
  C     -10.370910      2.288021     -2.697556
  C     -10.376222      1.471801     -1.563514
  C      -9.176397      1.109729     -0.951953
  C      -5.509544      0.932942     -1.566894
  C      -4.315405      0.558094     -0.953654
  C      -6.790955     -2.632324      3.014161
  C      -6.042045     -3.218465      4.217307
  C      -7.029997     -3.792738      5.247557
  C      -6.353539     -4.350018      6.506848
  C      -7.333641     -4.995418      7.450246
  C      -7.998822     -6.177359      7.088336
  C      -8.919695     -6.777960      7.940590
  C      -9.211681     -6.225112      9.201157
  C     -10.158196     -6.888090     10.123268
  C     -10.285763     -8.289185     10.141238
  C     -11.172600     -8.920233     11.012090
  C     -11.952521     -8.165198     11.891397
  C     -11.833592     -6.773379     11.889453
  C     -10.949345     -6.143422     11.015624
  C      -8.548289     -5.041236      9.561455
  C      -7.631277     -4.440126      8.700455
  C      -0.223170     -5.663711      6.943929
  C      -1.567703     -4.969926      6.694067
  C      -2.528944     -5.090616      7.893524
  C      -3.030645     -6.501755      8.217058
  C      -4.033159     -6.556441      9.345862
  C      -3.852134     -5.837371     10.537300
  C      -4.802250     -5.875813     11.555286
  C      -5.971883     -6.645322     11.430726
  C      -7.015333     -6.634087     12.477784
  C      -7.784749     -7.777912     12.753031
  C      -8.786874     -7.753890     13.721002
  C      -9.044500     -6.584569     14.439666
  C      -8.289589     -5.438380     14.178587
  C      -7.288087     -5.463077     13.208165
  C      -6.136686     -7.391322     10.253006
  C      -5.191366     -7.337254      9.232124
  H       0.323728     -2.449466      2.059188
  H      -0.222375     -0.887216      1.411710
  H      -0.431755     -2.357514      0.442558
  H      -1.835963     -1.602194      3.075939
  H      -3.927454     -1.894184      1.756152
  H      -2.983294     -2.080609      0.272156
  H      -2.093158      0.226492      0.499123
  H      -2.861301      0.388200      2.090153
  H      -5.342652      0.547467      2.281261
  H      -7.457628      1.225572      1.203926
  H      -7.009211      2.754823     -2.996594
  H      -9.136439      3.384186     -4.092764
  H     -11.309625      2.571256     -3.176511
  H     -11.321278      1.106668     -1.156967
  H      -9.191419      0.450557     -0.081970
  H      -5.550928      1.021371     -2.654232
  H      -3.430370      0.371565     -1.567617
  H      -7.406432     -3.387786      2.502390
  H      -6.087422     -2.209731      2.284099
  H      -7.467410     -1.828995      3.342880
  H      -5.491086     -2.396457      4.698133
  H      -7.633881     -4.584903      4.773777
  H      -7.741562     -3.000737      5.532910
  H      -5.813319     -3.541625      7.024715
  H      -5.586790     -5.082836      6.203365
  H      -7.791660     -6.633996      6.116659
  H      -9.434331     -7.685741      7.619869
  H      -9.660896     -8.892875      9.480537
  H     -11.246760    -10.009506     11.012463
  H     -12.644858     -8.658059     12.576060
  H     -12.437321     -6.172270     12.571880
  H     -10.880584     -5.054248     11.011343
  H      -8.718767     -4.610888     10.549692
  H      -7.112992     -3.531433      9.016607
  H       0.461694     -5.499223      6.099631
  H       0.242897     -5.238789      7.844785
  H      -0.316831     -6.747454      7.100681
  H      -1.353184     -3.895514      6.602516
  H      -2.019606     -4.665185      8.774695
  H      -3.397932     -4.443946      7.691553
  H      -2.172570     -7.153140      8.461078
  H      -3.505080     -6.931676      7.321564
  H      -2.953877     -5.231841     10.674527
  H      -4.628169     -5.308543     12.471881
  H      -7.587178     -8.700557     12.204921
  H      -9.376761     -8.652229     13.909043
  H      -9.834284     -6.564326     15.192499
  H      -8.489579     -4.514884     14.725562
  H      -6.724621     -4.553666     12.990864
  H      -7.046824     -7.974892     10.110378
  H      -5.369274     -7.893537      8.308331
  N      -2.887227     -2.569006      5.218417
  H      -3.394344     -2.261171      6.065704
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5679474-ZHfV/orca E -6457.441151995101
  N      -2.087831     -3.562857      2.505819
  C      -1.967762     -4.538820      1.424854
  C      -2.075828     -5.950452      1.983993
  N      -3.191068     -6.028974      2.947376
  C      -4.523753     -6.036356      2.310487
  C      -5.549496     -5.440395      3.266493
  N      -5.025052     -4.194299      3.820883
  Mo     -3.074619     -4.023991      4.153121
  N      -2.232229     -5.353649      5.424568
  C      -1.993006     -6.718782      4.974054
  C      -3.030310     -7.111683      3.935611
  H      -2.060801     -7.444217      5.803319
  H      -0.972377     -6.840998      4.555377
  H      -4.000911     -7.244966      4.434129
  H      -2.765559     -8.066115      3.441721
  H      -6.483570     -5.271161      2.703998
  H      -5.799256     -6.169027      4.064699
  H      -4.468744     -5.403257      1.413960
  H      -4.805179     -7.058727      1.994239
  H      -0.997213     -4.449626      0.906381
  H      -2.745039     -4.375036      0.651078
  H      -1.155859     -6.189378      2.535749
  H      -2.189067     -6.693206      1.171233
  C      -0.461540     -1.964620      1.464116
  C      -1.831688     -2.160065      2.121606
  C      -2.981112     -1.606073      1.263435
  C      -2.961074     -0.079218      1.089495
  C      -4.222411      0.405818      0.426963
  C      -5.377822      0.656747      1.181390
  C      -6.572055      1.030671      0.570517
  C      -6.659382      1.171876     -0.825714
  C      -7.928549      1.562259     -1.477129
  C      -7.935013      2.377260     -2.623474
  C      -9.132218      2.742016     -3.238564
  C     -10.352979      2.300562     -2.721781
  C     -10.363083      1.490619     -1.583252
  C      -9.165547      1.125816     -0.969008
  C      -5.498663      0.928594     -1.580645
  C      -4.306677      0.551982     -0.964660
  C      -6.793238     -2.616663      3.012016
  C      -6.046598     -3.207397      4.214026
  C      -7.035160     -3.781614      5.243550
  C      -6.357898     -4.339325      6.502165
  C      -7.334369     -4.988959      7.445825
  C      -7.995472     -6.172767      7.081827
  C      -8.912047     -6.779617      7.934138
  C      -9.203566     -6.231160      9.196755
  C     -10.144399     -6.900838     10.120140
  C     -10.264160     -8.302748     10.135267
  C     -11.144161     -8.940635     11.008204
  C     -11.924748     -8.191793     11.892146
  C     -11.813904     -6.799367     11.892469
  C     -10.936466     -6.162475     11.016773
  C      -8.544709     -5.045433      9.558928
  C      -7.631810     -4.438124      8.697727
  C      -0.242333     -5.664633      6.949626
  C      -1.584447     -4.967580      6.696825
  C      -2.547494     -5.084217      7.895274
  C      -3.056452     -6.493210      8.216662
  C      -4.053838     -6.548400      9.349889
  C      -3.870899     -5.824334     10.538034
  C      -4.814025     -5.866731     11.562210
  C      -5.978277     -6.645624     11.447810
  C      -7.013518     -6.642115     12.503072
  C      -7.767703     -7.793755     12.788221
  C      -8.760659     -7.778442     13.765796
  C      -9.024165     -6.610212     14.484349
  C      -8.284452     -5.456542     14.213251
  C      -7.292003     -5.472541     13.233359
  C      -6.146025     -7.395158     10.272609
  C      -5.207822     -7.336903      9.245249
  H       0.323066     -2.457012      2.056364
  H      -0.218782     -0.894263      1.407287
  H      -0.431803     -2.364997      0.439554
  H      -1.834856     -1.602662      3.071611
  H      -3.926802     -1.892118      1.751241
  H      -2.982502     -2.082369      0.268064
  H      -2.086056      0.223088      0.494007
  H      -2.857902      0.388362      2.082993
  H      -5.335871      0.562308      2.269537
  H      -7.447547      1.243574      1.187017
  H      -6.988670      2.748608     -3.020949
  H      -9.112233      3.382694     -4.122221
  H     -11.289940      2.585971     -3.202856
  H     -11.310265      1.132572     -1.175342
  H      -9.184002      0.471487     -0.095437
  H      -5.539110      1.011544     -2.668443
  H      -3.421954      0.358784     -1.577028
  H      -7.397357     -3.371620      2.486327
  H      -6.088794     -2.178840      2.291744
  H      -7.480204     -1.823625      3.344177
  H      -5.493599     -2.387750      4.696470
  H      -7.638635     -4.574083      4.769728
  H      -7.747176     -2.990310      5.529655
  H      -5.817799     -3.530853      7.020178
  H      -5.590406     -5.070691      6.196940
  H      -7.788534     -6.626626      6.108800
  H      -9.423158     -7.688751      7.611697
  H      -9.638948     -8.901845      9.470761
  H     -11.212136    -10.030306     11.006519
  H     -12.611638     -8.690047     12.578389
  H     -12.418343     -6.203049     12.578461
  H     -10.873988     -5.072951     11.014622
  H      -8.715282     -4.618504     10.548606
  H      -7.116677     -3.528136      9.015310
  H       0.445091     -5.503293      6.106826
  H       0.222956     -5.239581      7.850857
  H      -0.339031     -6.747888      7.108080
  H      -1.367955     -3.893736      6.603886
  H      -2.036151     -4.662821      8.777105
  H      -3.413205     -4.433060      7.693607
  H      -2.200359     -7.149468      8.455023
  H      -3.536017     -6.917905      7.321374
  H      -2.976016     -5.212387     10.668301
  H      -4.637976     -5.295581     12.476063
  H      -7.564604     -8.715654     12.240852
  H      -9.338046     -8.683188     13.962028
  H      -9.806255     -6.596981     15.245329
  H      -8.489191     -4.534077     14.760214
  H      -6.740305     -4.557626     13.008940
  H      -7.052711     -7.986007     10.138036
  H      -5.387716     -7.896858      8.324083
  N      -2.890873     -2.563282      5.213534
  H      -3.404036     -2.242146      6.052127
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5679474-ZHfV/orca E -6457.441166560294
  N      -2.094159     -3.567358      2.505879
  C      -1.976126     -4.543248      1.424567
  C      -2.086139     -5.954905      1.983180
  N      -3.201140     -6.031699      2.947092
  C      -4.534079     -6.036682      2.310727
  C      -5.558372     -5.439106      3.267365
  N      -5.031672     -4.193922      3.821325
  Mo     -3.080579     -4.027452      4.153201
  N      -2.236038     -5.357997      5.422251
  C      -2.002190     -6.724279      4.972480
  C      -3.041685     -7.114757      3.935211
  H      -2.070959     -7.449188      5.802125
  H      -0.982436     -6.849652      4.552495
  H      -4.011940     -7.245809      4.435016
  H      -2.779684     -8.069825      3.441138
  H      -6.492695     -5.268590      2.705593
  H      -5.808855     -6.167538      4.065527
  H      -4.478189     -5.403402      1.414412
  H      -4.817629     -7.058382      1.994202
  H      -1.005865     -4.455042      0.905365
  H      -2.753615     -4.378164      0.651255
  H      -1.166414     -6.195781      2.534500
  H      -2.201068     -6.696911      1.169992
  C      -0.463974     -1.971386      1.467029
  C      -1.835410     -2.164929      2.122385
  C      -2.982976     -1.608851      1.263018
  C      -2.960036     -0.081802      1.091141
  C      -4.219533      0.406659      0.427437
  C      -5.376084      0.656274      1.180656
  C      -6.568938      1.032997      0.568767
  C      -6.653536      1.178512     -0.827210
  C      -7.921350      1.571683     -1.479719
  C      -7.925201      2.390392     -2.623425
  C      -9.121072      2.757816     -3.239546
  C     -10.343016      2.315371     -2.726418
  C     -10.355706      1.501770     -1.590535
  C      -9.159478      1.134315     -0.975261
  C      -5.491658      0.936772     -1.580742
  C      -4.301056      0.557217     -0.963803
  C      -6.799292     -2.612867      3.017565
  C      -6.051404     -3.206268      4.217689
  C      -7.038721     -3.781054      5.247819
  C      -6.359576     -4.339603      6.505027
  C      -7.333827     -4.994758      7.446999
  C      -7.986436     -6.183050      7.082603
  C      -8.901569     -6.794639      7.933108
  C      -9.200047     -6.246186      9.194005
  C     -10.139037     -6.920199     10.116144
  C     -10.249018     -8.322834     10.134718
  C     -11.126994     -8.964503     11.006960
  C     -11.915072     -8.218618     11.886783
  C     -11.814074     -6.825433     11.883532
  C     -10.938765     -6.184770     11.008368
  C      -8.549632     -5.055884      9.556665
  C      -7.637989     -4.444018      8.697405
  C      -0.242494     -5.674519      6.941815
  C      -1.582265     -4.972206      6.691622
  C      -2.542416     -5.082225      7.893137
  C      -3.055719     -6.488325      8.219503
  C      -4.053705     -6.537724      9.352855
  C      -3.877421     -5.799819     10.533289
  C      -4.820495     -5.839981     11.557885
  C      -5.977730     -6.630056     11.451384
  C      -7.012742     -6.625074     12.506837
  C      -7.756272     -7.780641     12.803987
  C      -8.748944     -7.764395     13.781958
  C      -9.022761     -6.591240     14.488643
  C      -8.293643     -5.433797     14.205469
  C      -7.301444     -5.450778     13.225282
  C      -6.138928     -7.392879     10.283717
  C      -5.201147     -7.336970      9.256072
  H       0.318890     -2.465041      2.060501
  H      -0.219591     -0.901381      1.410723
  H      -0.433094     -2.371653      0.442434
  H      -1.839114     -1.607794      3.072562
  H      -3.929795     -1.893872      1.749084
  H      -2.983543     -2.084041      0.267128
  H      -2.083540      0.220096      0.497642
  H      -2.857689      0.384249      2.085465
  H      -5.336087      0.558722      2.268595
  H      -7.445377      1.244539      1.184388
  H      -6.977963      2.762537     -3.018007
  H      -9.099092      3.401320     -4.121098
  H     -11.278936      2.602853     -3.208295
  H     -11.303851      1.142980     -1.185533
  H      -9.179959      0.477212     -0.103816
  H      -5.529980      1.023364     -2.668338
  H      -3.415370      0.365201     -1.575138
  H      -7.403549     -3.367115      2.491005
  H      -6.095589     -2.173398      2.297635
  H      -7.486217     -1.820802      3.352077
  H      -5.496586     -2.387973      4.700288
  H      -7.642899     -4.573242      4.774447
  H      -7.750198     -2.989747      5.535270
  H      -5.822609     -3.530238      7.024928
  H      -5.589378     -5.067343      6.198004
  H      -7.773227     -6.636658      6.110772
  H      -9.406038     -7.707562      7.610890
  H      -9.617819     -8.919222      9.473402
  H     -11.187571    -10.054606     11.007911
  H     -12.600315     -8.719716     12.572606
  H     -12.424678     -6.231491     12.566120
  H     -10.884027     -5.094854     11.003033
  H      -8.725580     -4.628939     10.545384
  H      -7.129175     -3.530568      9.015167
  H       0.443293     -5.517292      6.096878
  H       0.227078     -5.250065      7.841083
  H      -0.343178     -6.757163      7.102053
  H      -1.361039     -3.899558      6.596086
  H      -2.027303     -4.659966      8.772309
  H      -3.406135     -4.428307      7.691571
  H      -2.201624     -7.146336      8.460337
  H      -3.536344     -6.915158      7.325813
  H      -2.988016     -5.178795     10.657470
  H      -4.649806     -5.257895     12.465835
  H      -7.544981     -8.706208     12.265963
  H      -9.317629     -8.672498     13.987924
  H      -9.804679     -6.577250     15.249788
  H      -8.506443     -4.507711     14.743157
  H      -6.757848     -4.533349     12.991548
  H      -7.040426     -7.992963     10.155181
  H      -5.375660     -7.908453      8.340961
  N      -2.895826     -2.566958      5.214214
  H      -3.405222     -2.252695      6.057759
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5679474-ZHfV/orca E -6457.441185560842
  N      -2.120770     -3.587629      2.506208
  C      -2.008646     -4.565290      1.425808
  C      -2.132616     -5.975501      1.984708
  N      -3.251234     -6.040699      2.945801
  C      -4.582281     -6.033217      2.305654
  C      -5.602895     -5.425178      3.259768
  N      -5.065405     -4.184929      3.812867
  Mo     -3.112527     -4.038392      4.151399
  N      -2.271434     -5.374502      5.417017
  C      -2.060702     -6.746118      4.972248
  C      -3.105268     -7.124358      3.935408
  H      -2.139994     -7.467692      5.803921
  H      -1.042966     -6.888041      4.552330
  H      -4.076998     -7.242578      4.435622
  H      -2.855145     -8.083355      3.442931
  H      -6.535202     -5.247151      2.696704
  H      -5.861909     -6.151074      4.057651
  H      -4.517400     -5.400704      1.409515
  H      -4.875469     -7.051939      1.988404
  H      -1.036848     -4.484855      0.908100
  H      -2.782920     -4.394205      0.650476
  H      -1.217034     -6.225115      2.538989
  H      -2.252353     -6.716096      1.170953
  C      -0.470811     -2.005877      1.477463
  C      -1.847878     -2.187831      2.124186
  C      -2.986437     -1.622040      1.258983
  C      -2.948936     -0.094752      1.092060
  C      -4.200498      0.408367      0.423762
  C      -5.359492      0.660338      1.172766
  C      -6.546241      1.050227      0.557177
  C      -6.621544      1.207306     -0.838157
  C      -7.883268      1.614079     -1.494576
  C      -7.875231      2.442811     -2.630997
  C      -9.065230      2.823240     -3.250670
  C     -10.292815      2.383978     -2.748365
  C     -10.317265      1.560519     -1.619837
  C      -9.126829      1.180119     -1.000998
  C      -5.457212      0.963730     -1.586905
  C      -4.272685      0.570611     -0.966432
  C      -6.828360     -2.588775      3.026689
  C      -6.076675     -3.192339      4.219906
  C      -7.059096     -3.767905      5.253485
  C      -6.369859     -4.328676      6.504129
  C      -7.331078     -5.010475      7.439919
  C      -7.942182     -6.220202      7.075234
  C      -8.844550     -6.857201      7.920922
  C      -9.171170     -6.311934      9.175894
  C     -10.092089     -7.011887     10.096947
  C     -10.149458     -8.417265     10.129533
  C     -11.007614     -9.082511     11.004003
  C     -11.827568     -8.357245     11.871921
  C     -11.779694     -6.961260     11.853850
  C     -10.924529     -6.297134     10.976007
  C      -8.563721     -5.098790      9.538100
  C      -7.663987     -4.462442      8.684437
  C      -0.264319     -5.716180      6.914781
  C      -1.593175     -4.990668      6.674665
  C      -2.540921     -5.072004      7.888680
  C      -3.075161     -6.464787      8.234571
  C      -4.071613     -6.490957      9.371547
  C      -3.920169     -5.698385     10.518948
  C      -4.859224     -5.731023     11.548579
  C      -5.986710     -6.565998     11.479287
  C      -7.017182     -6.556238     12.539172
  C      -7.716838     -7.725403     12.885961
  C      -8.705486     -7.705880     13.868407
  C      -9.018819     -6.515761     14.529146
  C      -8.333256     -5.345215     14.196203
  C      -7.345033     -5.365608     13.211908
  C      -6.123942     -7.380361     10.343389
  C      -5.191239     -7.333057      9.311585
  H       0.303777     -2.505773      2.076468
  H      -0.217260     -0.937972      1.422143
  H      -0.436213     -2.407000      0.453253
  H      -1.852709     -1.630536      3.074314
  H      -3.938334     -1.899922      1.738817
  H      -2.984944     -2.094954      0.262037
  H      -2.066453      0.202140      0.504968
  H      -2.848035      0.367183      2.088512
  H      -5.326083      0.554587      2.260137
  H      -7.424625      1.262606      1.169715
  H      -6.923558      2.812572     -3.017055
  H      -9.034137      3.474283     -4.126391
  H     -11.224149      2.681541     -3.233036
  H     -11.270009      1.204289     -1.223478
  H      -9.156586      0.515674     -0.135396
  H      -5.488500      1.059925     -2.673936
  H      -3.384877      0.377196     -1.574202
  H      -7.433296     -3.339991      2.496550
  H      -6.126965     -2.143424      2.308292
  H      -7.514860     -1.800024      3.369664
  H      -5.513624     -2.379668      4.702261
  H      -7.666200     -4.559558      4.783000
  H      -7.768389     -2.976673      5.546432
  H      -5.847373     -3.514852      7.031790
  H      -5.587217     -5.039126      6.188141
  H      -7.703021     -6.670568      6.107796
  H      -9.316093     -7.788391      7.601053
  H      -9.492500     -8.995929      9.477490
  H     -11.027785    -10.174023     11.015842
  H     -12.496968     -8.876299     12.560036
  H     -12.416428     -6.383696     12.526546
  H     -10.910920     -5.206108     10.958371
  H      -8.762370     -4.673061     10.522982
  H      -7.186546     -3.532057      9.001522
  H       0.415347     -5.576235      6.061793
  H       0.222533     -5.295253      7.806428
  H      -0.382635     -6.795999      7.082057
  H      -1.351242     -3.923570      6.568170
  H      -2.008081     -4.648854      8.756652
  H      -3.394670     -4.404339      7.688969
  H      -2.230875     -7.133512      8.481061
  H      -3.564449     -6.896534      7.347921
  H      -3.054292     -5.040548     10.614680
  H      -4.708162     -5.106186     12.431204
  H      -7.474180     -8.663527     12.384037
  H      -9.239070     -8.625433     14.114124
  H      -9.797684     -6.499272     15.293374
  H      -8.577024     -4.406665     14.697919
  H      -6.835407     -4.439472     12.939289
  H      -7.003973     -8.016590     10.242616
  H      -5.346265     -7.948750      8.421950
  N      -2.919818     -2.578115      5.212352
  H      -3.413156     -2.281164      6.071707
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5679474-ZHfV/orca E -6457.441200482476
  N      -2.104760     -3.587968      2.502204
  C      -1.994087     -4.566726      1.422729
  C      -2.114238     -5.976341      1.983504
  N      -3.230430     -6.042048      2.947866
  C      -4.563078     -6.036932      2.310926
  C      -5.582148     -5.431384      3.268243
  N      -5.045817     -4.189764      3.819414
  Mo     -3.092330     -4.039036      4.150269
  N      -2.246330     -5.372109      5.415607
  C      -2.034299     -6.743970      4.971909
  C      -3.079923     -7.125476      3.937243
  H      -2.110132     -7.464565      5.804638
  H      -1.017285     -6.884356      4.549635
  H      -4.050555     -7.246953      4.438776
  H      -2.827142     -8.083457      3.444214
  H      -6.517071     -5.256198      2.708659
  H      -5.836556     -6.158027      4.066964
  H      -4.501586     -5.403003      1.415528
  H      -4.855056     -7.055779      1.993071
  H      -1.024105     -4.485072      0.901765
  H      -2.770738     -4.398051      0.649163
  H      -1.197103     -6.224353      2.535866
  H      -2.235488     -6.717801      1.170784
  C      -0.464212     -2.002610      1.464091
  C      -1.837474     -2.187708      2.117902
  C      -2.982020     -1.625268      1.258245
  C      -2.949361     -0.097921      1.090881
  C      -4.206351      0.402067      0.430234
  C      -5.360308      0.653631      1.187237
  C      -6.552330      1.039738      0.579519
  C      -6.637998      1.193412     -0.815622
  C      -7.905503      1.595868     -1.463715
  C      -7.907715      2.422680     -2.601517
  C      -9.103164      2.798869     -3.213290
  C     -10.325917      2.357096     -2.701470
  C     -10.340140      1.535481     -1.571440
  C      -9.144235      1.159354     -0.960484
  C      -5.478767      0.950631     -1.572276
  C      -4.288863      0.561133     -0.959668
  C      -6.808140     -2.594994      3.030183
  C      -6.058181     -3.197412      4.225186
  C      -7.043331     -3.771724      5.256922
  C      -6.359654     -4.332757      6.510596
  C      -7.327846     -5.007438      7.444571
  C      -7.946679     -6.213211      7.080549
  C      -8.856225     -6.841947      7.924843
  C      -9.182799     -6.292092      9.177720
  C     -10.113939     -6.982322     10.095839
  C     -10.186639     -8.386884     10.129037
  C     -11.056858     -9.042386     10.998847
  C     -11.873883     -8.308008     11.861768
  C     -11.810673     -6.912611     11.843586
  C     -10.943653     -6.258210     10.970029
  C      -8.567259     -5.082718      9.539395
  C      -7.660419     -4.454621      8.687286
  C      -0.243668     -5.713341      6.919319
  C      -1.572105     -4.988192      6.675091
  C      -2.523440     -5.070581      7.886192
  C      -3.065210     -6.462179      8.223009
  C      -4.066002     -6.490542      9.356297
  C      -3.921923     -5.697794     10.504202
  C      -4.865270     -5.733783     11.529981
  C      -5.990434     -6.571279     11.455333
  C      -7.024520     -6.564240     12.511679
  C      -7.723006     -7.734874     12.855593
  C      -8.713955     -7.717859     13.835870
  C      -9.031283     -6.528783     14.496447
  C      -8.347675     -5.356532     14.165505
  C      -7.356815     -5.374509     13.183910
  C      -6.121390     -7.384360     10.317659
  C      -5.183921     -7.334611      9.290493
  H       0.314850     -2.498391      2.060684
  H      -0.214777     -0.933971      1.404620
  H      -0.433267     -2.406288      0.440775
  H      -1.839028     -1.629608      3.067586
  H      -3.930541     -1.905113      1.743483
  H      -2.984660     -2.098662      0.261551
  H      -2.071198      0.201411      0.498529
  H      -2.843745      0.364489      2.086613
  H      -5.318728      0.550393      2.274553
  H      -7.426608      1.251581      1.198080
  H      -6.959886      2.794331     -2.995138
  H      -9.080101      3.448538     -4.090277
  H     -11.261503      2.651308     -3.179975
  H     -11.289077      1.177390     -1.167704
  H      -9.166110      0.496334     -0.093565
  H      -5.518079      1.044591     -2.659250
  H      -3.405172      0.368061     -1.573507
  H      -7.412155     -3.347840      2.501227
  H      -6.106030     -2.151001      2.311820
  H      -7.495206     -1.805917      3.371149
  H      -5.495613     -2.384498      4.707712
  H      -7.650391     -4.562723      4.785273
  H      -7.752102     -2.978961      5.546985
  H      -5.835787     -3.519984      7.038560
  H      -5.578956     -5.046896      6.198433
  H      -7.708015     -6.666573      6.114416
  H      -9.333780     -7.770191      7.605301
  H      -9.532368     -8.972922      9.480870
  H     -11.088944    -10.133606     11.010900
  H     -12.552647     -8.819448     12.546393
  H     -12.445076     -6.327831     12.512238
  H     -10.918756     -5.167417     10.951551
  H      -8.765756     -4.652962     10.522529
  H      -7.177663     -3.526797      9.003805
  H       0.438437     -5.573139      6.068293
  H       0.240487     -5.292151      7.812284
  H      -0.361902     -6.793226      7.086203
  H      -1.329669     -3.921011      6.569734
  H      -1.991075     -4.653359      8.757399
  H      -3.373482     -4.397992      7.686867
  H      -2.225624     -7.137115      8.468692
  H      -3.553578     -6.886647      7.332269
  H      -3.058956     -5.036782     10.603444
  H      -4.719577     -5.109062     12.413550
  H      -7.476759     -8.672357     12.354180
  H      -9.245615     -8.638735     14.080788
  H      -9.812120     -6.514248     15.258689
  H      -8.594973     -4.418610     14.666642
  H      -6.848499     -4.447246     12.912784
  H      -7.000727     -8.020619     10.211041
  H      -5.334644     -7.948643      8.398964
  N      -2.901381     -2.578206      5.211146
  H      -3.393524     -2.280962      6.070955
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5679474-ZHfV/orca E -6457.441215429421
  N      -2.102956     -3.593976      2.499293
  C      -1.994137     -4.574307      1.421118
  C      -2.116593     -5.982929      1.983955
  N      -3.232684     -6.045360      2.948610
  C      -4.565484     -6.038089      2.312057
  C      -5.583142     -5.429926      3.269157
  N      -5.044153     -4.189381      3.820281
  Mo     -3.089961     -4.041465      4.148832
  N      -2.245125     -5.374242      5.414639
  C      -2.037284     -6.747571      4.973119
  C      -3.084325     -7.127727      3.939413
  H      -2.115635     -7.466171      5.807357
  H      -1.020769     -6.892264      4.551264
  H      -4.055171     -7.246212      4.441206
  H      -2.833980     -8.087052      3.447679
  H      -6.517608     -5.252873      2.709413
  H      -5.839261     -6.155817      4.068030
  H      -4.503021     -5.404923      1.416193
  H      -4.859417     -7.056637      1.995057
  H      -1.024038     -4.495152      0.900020
  H      -2.770565     -4.405261      0.647410
  H      -1.199776     -6.231658      2.536509
  H      -2.239286     -6.725428      1.172387
  C      -0.461411     -2.012741      1.456265
  C      -1.833672     -2.194618      2.113045
  C      -2.978724     -1.630866      1.254908
  C      -2.944258     -0.103666      1.086410
  C      -4.202534      0.397952      0.429615
  C      -5.352789      0.654553      1.190520
  C      -6.546009      1.042959      0.586695
  C      -6.636742      1.193916     -0.808414
  C      -7.905464      1.599141     -1.452312
  C      -7.909587      2.423533     -2.591856
  C      -9.106266      2.802343     -3.199584
  C     -10.328384      2.365659     -2.681913
  C     -10.340705      1.546474     -1.550092
  C      -9.143591      1.167717     -0.943178
  C      -5.481285      0.945801     -1.569127
  C      -4.290137      0.554108     -0.960340
  C      -6.803236     -2.590894      3.032113
  C      -6.054655     -3.195317      4.226734
  C      -7.041027     -3.768136      5.258403
  C      -6.358572     -4.329996      6.512497
  C      -7.327452     -5.007030      7.444056
  C      -7.938860     -6.216749      7.080430
  C      -8.847282     -6.848822      7.923474
  C      -9.180504     -6.298230      9.174332
  C     -10.107970     -6.993254     10.092532
  C     -10.168689     -8.398274     10.130007
  C     -11.034801     -9.058599     11.000285
  C     -11.859859     -8.328661     11.859254
  C     -11.808512     -6.932823     11.836927
  C     -10.945398     -6.273680     10.963173
  C      -8.574054     -5.083873      9.534519
  C      -7.667930     -4.452793      8.683963
  C      -0.243380     -5.719931      6.918761
  C      -1.569085     -4.990150      6.673122
  C      -2.520267     -5.065900      7.884840
  C      -3.071974     -6.453396      8.220406
  C      -4.073088     -6.478205      9.353410
  C      -3.937193     -5.673780     10.494116
  C      -4.880874     -5.709360     11.519632
  C      -5.998560     -6.557419     11.451764
  C      -7.033122     -6.551145     12.507587
  C      -7.721958     -7.724973     12.859806
  C      -8.713456     -7.709023     13.839476
  C      -9.041251     -6.517828     14.490995
  C      -8.367709     -5.342161     14.151345
  C      -7.376193     -5.359119     13.170473
  C      -6.122180     -7.380515     10.320503
  C      -5.184303     -7.331579      9.293726
  H       0.317993     -2.509190      2.051890
  H      -0.210150     -0.944626      1.394960
  H      -0.433335     -2.417760      0.433419
  H      -1.832367     -1.635513      3.062125
  H      -3.926798     -1.909087      1.742069
  H      -2.983840     -2.104898      0.258519
  H      -2.067522      0.193688      0.490921
  H      -2.834564      0.359157      2.081488
  H      -5.307303      0.553275      2.277872
  H      -7.417197      1.258847      1.208209
  H      -6.962127      2.791191     -2.990092
  H      -9.084646      3.450097     -4.078023
  H     -11.264927      2.661921     -3.157260
  H     -11.289164      1.192321     -1.141783
  H      -9.164083      0.506602     -0.074775
  H      -5.524670      1.037316     -2.656152
  H      -3.409492      0.357018     -1.577275
  H      -7.407613     -3.342491      2.501814
  H      -6.100168     -2.146757      2.314751
  H      -7.489759     -1.801523      3.373515
  H      -5.490302     -2.383905      4.709718
  H      -7.648920     -4.558443      4.786673
  H      -7.748915     -2.974481      5.548096
  H      -5.836139     -3.517631      7.042487
  H      -5.577146     -5.043214      6.200203
  H      -7.694723     -6.670524      6.115863
  H      -9.318459     -7.780570      7.604680
  H      -9.508201     -8.980683      9.484885
  H     -11.057376    -10.150013     11.015790
  H     -12.535459     -8.843797     12.544234
  H     -12.449152     -6.351519     12.502654
  H     -10.929542     -5.182770     10.941754
  H      -8.778738     -4.652495     10.515650
  H      -7.191632     -3.521349      8.999672
  H       0.439215     -5.584484      6.067366
  H       0.242429     -5.298251      7.810592
  H      -0.365658     -6.798925      7.088501
  H      -1.322497     -3.924166      6.565213
  H      -1.983917     -4.652915      8.755680
  H      -3.365605     -4.387133      7.686369
  H      -2.237691     -7.135426      8.464848
  H      -3.563234     -6.872987      7.328863
  H      -3.081007     -5.003287     10.587780
  H      -4.741156     -5.075582     12.397699
  H      -7.467129     -8.664087     12.365802
  H      -9.237208     -8.632522     14.091499
  H      -9.822310     -6.504357     15.253033
  H      -8.623413     -4.402613     14.645158
  H      -6.875985     -4.429578     12.892197
  H      -6.996654     -8.024154     10.217965
  H      -5.329997     -7.953044      8.406527
  N      -2.895177     -2.578884      5.206659
  H      -3.388710     -2.277020      6.064077
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5679474-ZHfV/orca E -6457.441242933676
  N      -2.090907     -3.615250      2.491785
  C      -1.981680     -4.599693      1.417697
  C      -2.112582     -6.005541      1.985920
  N      -3.232687     -6.059199      2.946372
  C      -4.563062     -6.045820      2.304896
  C      -5.580786     -5.431370      3.257637
  N      -5.036486     -4.194058      3.810751
  Mo     -3.081393     -4.053526      4.142165
  N      -2.245058     -5.387810      5.412003
  C      -2.049278     -6.765156      4.976969
  C      -3.095632     -7.139569      3.940730
  H      -2.139861     -7.478332      5.814803
  H      -1.032499     -6.923625      4.561062
  H      -4.069543     -7.249664      4.438380
  H      -2.850418     -8.102202      3.452708
  H      -6.511757     -5.248968      2.693852
  H      -5.844797     -6.155390      4.055722
  H      -4.494303     -5.413897      1.408639
  H      -4.860488     -7.063397      1.988097
  H      -1.008802     -4.527216      0.900879
  H      -2.753790     -4.429924      0.639810
  H      -1.199080     -6.255453      2.543404
  H      -2.235122     -6.751323      1.177302
  C      -0.448809     -2.042465      1.435706
  C      -1.817313     -2.217765      2.101951
  C      -2.965278     -1.650078      1.250237
  C      -2.926024     -0.123355      1.078237
  C      -4.190780      0.383219      0.438382
  C      -5.325742      0.657100      1.215908
  C      -6.525084      1.052144      0.628891
  C      -6.637754      1.192693     -0.765656
  C      -7.912737      1.606186     -1.391469
  C      -7.927623      2.421798     -2.537198
  C      -9.130440      2.808676     -3.127472
  C     -10.348114      2.388953     -2.585858
  C     -10.349728      1.578549     -1.447647
  C      -9.146555      1.191739     -0.858157
  C      -5.497756      0.926426     -1.543503
  C      -4.300418      0.528260     -0.951339
  C      -6.788628     -2.589231      3.019348
  C      -6.043369     -3.195289      4.214789
  C      -7.033152     -3.763673      5.246168
  C      -6.354165     -4.324116      6.502974
  C      -7.324308     -5.008735      7.427619
  C      -7.907223     -6.234237      7.069462
  C      -8.811977     -6.876030      7.909225
  C      -9.170842     -6.318969      9.150234
  C     -10.086801     -7.026752     10.070175
  C     -10.107228     -8.432239     10.127796
  C     -10.959073     -9.104966     11.002760
  C     -11.810347     -8.387124     11.846025
  C     -11.799567     -6.990821     11.803256
  C     -10.950446     -6.319564     10.925324
  C      -8.597973     -5.085988      9.501451
  C      -7.694279     -4.446270      8.655151
  C      -0.244465     -5.751232      6.914685
  C      -1.559244     -5.002903      6.665125
  C      -2.507606     -5.052225      7.880578
  C      -3.096243     -6.423283      8.213730
  C      -4.099143     -6.432221      9.345377
  C      -3.992253     -5.585720     10.458202
  C      -4.937254     -5.616965     11.482877
  C      -6.028494     -6.500346     11.441446
  C      -7.065185     -6.493719     12.495032
  C      -7.723093     -7.675957     12.876673
  C      -8.717957     -7.660959     13.852739
  C      -9.080215     -6.462413     14.471494
  C      -8.437767     -5.278018     14.102385
  C      -7.442913     -5.294091     13.125114
  C      -6.125744     -7.360763     10.335553
  C      -5.186092     -7.317906      9.310392
  H       0.332854     -2.540697      2.026972
  H      -0.193797     -0.975467      1.370401
  H      -0.429625     -2.449873      0.413670
  H      -1.807668     -1.657079      3.050070
  H      -3.910923     -1.923579      1.744953
  H      -2.979491     -2.126413      0.254999
  H      -2.056125      0.168272      0.469928
  H      -2.800075      0.340438      2.070889
  H      -5.263249      0.563487      2.303128
  H      -7.383644      1.281806      1.262917
  H      -6.983211      2.776186     -2.954260
  H      -9.117020      3.449515     -4.011129
  H     -11.289436      2.691548     -3.047554
  H     -11.294759      1.237559     -1.020600
  H      -9.159109      0.537511      0.015585
  H      -5.558653      1.008834     -2.630410
  H      -3.432281      0.317398     -1.581317
  H      -7.396480     -3.338422      2.489684
  H      -6.083416     -2.149019      2.301636
  H      -7.471564     -1.796229      3.359578
  H      -5.475886     -2.386076      4.697803
  H      -7.640862     -4.554512      4.775040
  H      -7.740723     -2.968498      5.532327
  H      -5.838926     -3.510720      7.038262
  H      -5.568348     -5.032982      6.192037
  H      -7.641749     -6.692590      6.112725
  H      -9.258984     -7.821574      7.596248
  H      -9.426045     -9.004449      9.495117
  H     -10.949552    -10.196223     11.034549
  H     -12.474840     -8.911688     12.534691
  H     -12.461059     -6.419030     12.456736
  H     -10.965265     -5.229022     10.889064
  H      -8.826394     -4.646098     10.473443
  H      -7.242337     -3.500790      8.965024
  H       0.438474     -5.635438      6.060694
  H       0.249650     -5.327391      7.800890
  H      -0.382854     -6.826321      7.096550
  H      -1.295855     -3.942040      6.546917
  H      -1.955981     -4.654095      8.748878
  H      -3.335235     -4.351002      7.684869
  H      -2.282477     -7.131120      8.455130
  H      -3.597401     -6.825917      7.319499
  H      -3.159405     -4.884175     10.530578
  H      -4.818757     -4.950354     12.339475
  H      -7.440136     -8.620561     12.409207
  H      -9.217243     -8.591193     14.128748
  H      -9.863317     -6.450269     15.231459
  H      -8.720816     -4.332997     14.570128
  H      -6.968091     -4.358949     12.822345
  H      -6.982547     -8.030174     10.249786
  H      -5.312895     -7.968502      8.441353
  N      -2.876700     -2.590076      5.195464
  H      -3.368024     -2.278915      6.050756
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5679474-ZHfV/orca E -6457.441251555552
  N      -2.090713     -3.619335      2.489964
  C      -1.982214     -4.605360      1.417278
  C      -2.117384     -6.010322      1.986911
  N      -3.238582     -6.060258      2.946045
  C      -4.568238     -6.043309      2.303385
  C      -5.585127     -5.425793      3.254970
  N      -5.037648     -4.190697      3.810180
  Mo     -3.082143     -4.054112      4.140917
  N      -2.248733     -5.389631      5.411322
  C      -2.058207     -6.768138      4.977844
  C      -3.105770     -7.139825      3.941739
  H      -2.151848     -7.479980      5.816531
  H      -1.041952     -6.931109      4.562451
  H      -4.080185     -7.245336      4.439447
  H      -2.864403     -8.104145      3.455078
  H      -6.514535     -5.239633      2.689846
  H      -5.853114     -6.149410      4.052078
  H      -4.496811     -5.412109      1.406832
  H      -4.868406     -7.060179      1.986831
  H      -1.008321     -4.536049      0.901962
  H      -2.752677     -4.434485      0.637985
  H      -1.205038     -6.261600      2.545691
  H      -2.240585     -6.756871      1.179079
  C      -0.447077     -2.050486      1.430201
  C      -1.815291     -2.222809      2.097920
  C      -2.962635     -1.653960      1.246080
  C      -2.920302     -0.127381      1.072794
  C      -4.185230      0.381909      0.435542
  C      -5.317291      0.661118      1.215349
  C      -6.516995      1.058398      0.630517
  C      -6.632888      1.196143     -0.764030
  C      -7.908193      1.612136     -1.387497
  C      -7.923506      2.425073     -2.535118
  C      -9.126628      2.814320     -3.123217
  C     -10.344214      2.399668     -2.577528
  C     -10.345410      1.591946     -1.437399
  C      -9.141944      1.202779     -0.850080
  C      -5.495691      0.924632     -1.544227
  C      -4.298111      0.524123     -0.954253
  C      -6.787986     -2.581153      3.023619
  C      -6.042738     -3.191272      4.216991
  C      -7.032922     -3.760796      5.247464
  C      -6.354059     -4.324879      6.502602
  C      -7.323914     -5.012807      7.424972
  C      -7.897651     -6.242966      7.067760
  C      -8.800254     -6.889081      7.906475
  C      -9.166242     -6.331534      9.145175
  C     -10.077029     -7.044553     10.066167
  C     -10.084265     -8.449981     10.128335
  C     -10.929389     -9.127746     11.005956
  C     -11.786971     -8.415083     11.847234
  C     -11.789902     -7.018903     11.799242
  C     -10.947506     -6.342658     10.918698
  C      -8.603862     -5.093274      9.494634
  C      -7.702004     -4.449435      8.649532
  C      -0.251563     -5.759404      6.916656
  C      -1.562683     -5.005404      6.664459
  C      -2.511765     -5.048730      7.879601
  C      -3.109515     -6.416067      8.210489
  C      -4.110345     -6.422411      9.343920
  C      -4.008976     -5.564768     10.448531
  C      -4.952207     -5.594254     11.474983
  C      -6.036230     -6.486711     11.443430
  C      -7.071901     -6.479173     12.498059
  C      -7.723373     -7.662628     12.887046
  C      -8.717499     -7.647359     13.863807
  C      -9.084985     -6.447343     14.476617
  C      -8.448598     -5.261824     14.100683
  C      -7.454873     -5.278129     13.122270
  C      -6.127655     -7.358562     10.345805
  C      -5.189600     -7.317950      9.319167
  H       0.334353     -2.549958      2.020745
  H      -0.190156     -0.983988      1.364273
  H      -0.429885     -2.458324      0.408294
  H      -1.804071     -1.660821      3.045253
  H      -3.908568     -1.925460      1.741304
  H      -2.977830     -2.131147      0.251257
  H      -2.051186      0.161539      0.462077
  H      -2.790615      0.336669      2.064836
  H      -5.252297      0.569766      2.302621
  H      -7.373262      1.292010      1.266196
  H      -6.979062      2.775476     -2.955454
  H      -9.113452      3.453026     -4.008422
  H     -11.285770      2.704119     -3.037525
  H     -11.290370      1.254874     -1.007093
  H      -9.154325      0.550595      0.025185
  H      -5.559109      1.004707     -2.631171
  H      -3.432295      0.309097     -1.586019
  H      -7.399482     -3.327331      2.493923
  H      -6.082618     -2.142203      2.305307
  H      -7.467524     -1.786247      3.366204
  H      -5.473990     -2.384157      4.702061
  H      -7.641715     -4.549857      4.774758
  H      -7.739434     -2.965410      5.535728
  H      -5.839193     -3.513032      7.040623
  H      -5.568236     -5.032751      6.189615
  H      -7.625586     -6.701873      6.113123
  H      -9.239249     -7.838895      7.595057
  H      -9.397865     -9.017692      9.497237
  H     -10.909384    -10.218740     11.041652
  H     -12.446117     -8.943532     12.538062
  H     -12.456780     -6.451285     12.450889
  H     -10.972720     -5.252444     10.878540
  H      -8.838655     -4.652679     10.464776
  H      -7.257404     -3.500151      8.958429
  H       0.432183     -5.649633      6.062530
  H       0.244257     -5.335121      7.801678
  H      -0.395325     -6.833218      7.101933
  H      -1.294449     -3.945899      6.544484
  H      -1.957711     -4.654877      8.748306
  H      -3.334762     -4.341956      7.684016
  H      -2.300680     -7.130642      8.448635
  H      -3.614486     -6.812877      7.315581
  H      -3.181827     -4.855783     10.513082
  H      -4.837983     -4.918459     12.324939
  H      -7.436105     -8.608270     12.424389
  H      -9.212236     -8.578472     14.145017
  H      -9.867420     -6.434996     15.237269
  H      -8.735689     -4.315783     14.563880
  H      -6.984827     -4.342338     12.814129
  H      -6.978884     -8.036002     10.267813
  H      -5.311716     -7.978225      8.456787
  N      -2.871702     -2.589994      5.191946
  H      -3.365748     -2.269429      6.042132
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5679474-ZHfV/orca E -6457.441261703230
  N      -2.091782     -3.628072      2.488467
  C      -1.983814     -4.615958      1.417456
  C      -2.127876     -6.019855      1.987931
  N      -3.251976     -6.063353      2.943647
  C      -4.579833     -6.038025      2.297749
  C      -5.595478     -5.416033      3.247668
  N      -5.042117     -4.185523      3.807394
  Mo     -3.085869     -4.058461      4.139059
  N      -2.257800     -5.398624      5.408618
  C      -2.079479     -6.779223      4.977417
  C      -3.128640     -7.143117      3.940184
  H      -2.181154     -7.489168      5.816862
  H      -1.064054     -6.952075      4.563918
  H      -4.104361     -7.240499      4.437069
  H      -2.894584     -8.109781      3.454630
  H      -6.522010     -5.222694      2.680208
  H      -5.870669     -6.139547      4.042341
  H      -4.502423     -5.406393      1.402054
  H      -4.885337     -7.052739      1.979304
  H      -1.007586     -4.552061      0.905826
  H      -2.750450     -4.442302      0.635008
  H      -1.218406     -6.275032      2.549660
  H      -2.252057     -6.766455      1.180289
  C      -0.445049     -2.064713      1.425493
  C      -1.813181     -2.232837      2.094521
  C      -2.959511     -1.661386      1.242892
  C      -2.911573     -0.134928      1.069054
  C      -4.176350      0.379872      0.435994
  C      -5.304160      0.666017      1.219396
  C      -6.504125      1.067895      0.638105
  C      -6.624404      1.203724     -0.756241
  C      -7.899996      1.624504     -1.375899
  C      -7.915576      2.435488     -2.524905
  C      -9.118930      2.829328     -3.109462
  C     -10.336506      2.421355     -2.558760
  C     -10.337454      1.615668     -1.417180
  C      -9.133749      1.221921     -0.833421
  C      -5.491224      0.925615     -1.540014
  C      -4.293552      0.520355     -0.953643
  C      -6.789447     -2.567162      3.030559
  C      -6.043486     -3.184626      4.219822
  C      -7.033315     -3.756338      5.249468
  C      -6.352685     -4.324884      6.501472
  C      -7.319449     -5.021866      7.419903
  C      -7.870806     -6.263000      7.065486
  C      -8.768912     -6.918995      7.901315
  C      -9.152783     -6.359944      9.133792
  C     -10.055114     -7.082795     10.055460
  C     -10.034738     -8.487520     10.129657
  C     -10.869308     -9.174237     11.010488
  C     -11.743644     -8.471305     11.842709
  C     -11.774916     -7.075966     11.781684
  C     -10.943024     -6.390826     10.897971
  C      -8.614394     -5.109995      9.479470
  C      -7.716514     -4.456630      8.637511
  C      -0.263580     -5.786483      6.913742
  C      -1.565479     -5.017299      6.659330
  C      -2.513363     -5.045424      7.876037
  C      -3.131875     -6.403463      8.205024
  C      -4.129717     -6.401208      9.341410
  C      -4.044167     -5.515097     10.424280
  C      -4.984913     -5.538709     11.453574
  C      -6.050544     -6.453104     11.446327
  C      -7.085024     -6.441371     12.502255
  C      -7.717363     -7.627447     12.914727
  C      -8.710161     -7.609628     13.892787
  C      -9.095279     -6.404259     14.484052
  C      -8.478020     -5.216308     14.084889
  C      -7.485860     -5.235219     13.104881
  C      -6.125386     -7.353959     10.370546
  C      -5.190005     -7.319883      9.341636
  H       0.335750     -2.565956      2.015356
  H      -0.185436     -0.998922      1.358879
  H      -0.430080     -2.473085      0.403736
  H      -1.799942     -1.669801      3.041254
  H      -3.906039     -1.929649      1.738648
  H      -2.976467     -2.139191      0.248394
  H      -2.043332      0.150188      0.455350
  H      -2.776311      0.328468      2.060663
  H      -5.235612      0.576674      2.306620
  H      -7.357064      1.306558      1.276375
  H      -6.970980      2.780723     -2.949151
  H      -9.105856      3.466386     -3.995856
  H     -11.278243      2.729422     -3.015975
  H     -11.282431      1.283803     -0.982884
  H      -9.146089      0.571342      0.043045
  H      -5.558013      1.004375     -2.626861
  H      -3.431002      0.300184     -1.588104
  H      -7.408425     -3.307855      2.501893
  H      -6.084289     -2.131196      2.310219
  H      -7.462033     -1.768411      3.377838
  H      -5.472046     -2.381126      4.707724
  H      -7.642971     -4.543800      4.775191
  H      -7.739124     -2.961562      5.541174
  H      -5.840976     -3.513950      7.043936
  H      -5.564598     -5.028286      6.184520
  H      -7.582843     -6.723197      6.116091
  H      -9.189123     -7.878385      7.593337
  H      -9.335030     -9.046643      9.505542
  H     -10.827729    -10.264253     11.055974
  H     -12.394297     -9.006645     12.536270
  H     -12.455707     -6.516200     12.425691
  H     -10.990264     -5.301792     10.847395
  H      -8.864164     -4.667854     10.445128
  H      -7.289509     -3.498551      8.944067
  H       0.420017     -5.691609      6.057702
  H       0.239325     -5.362386      7.794802
  H      -0.420962     -6.857005      7.106887
  H      -1.284348     -3.961648      6.535042
  H      -1.952018     -4.660623      8.744033
  H      -3.325425     -4.325679      7.681454
  H      -2.334075     -7.131846      8.438734
  H      -3.644151     -6.789753      7.309367
  H      -3.231360     -4.788445     10.469802
  H      -4.882811     -4.839878     12.286242
  H      -7.415962     -8.576994     12.469520
  H      -9.189637     -8.543088     14.192133
  H      -9.876548     -6.389859     15.245872
  H      -8.778889     -4.266442     14.531211
  H      -7.030943     -4.298071     12.778782
  H      -6.962427     -8.050744     10.311478
  H      -5.298935     -8.004879      8.496950
  N      -2.866015     -2.595730      5.189913
  H      -3.359654     -2.270068      6.038327
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5679474-ZHfV/orca E -6457.441272810621
  N      -2.092679     -3.638903      2.487707
  C      -1.984621     -4.628846      1.418663
  C      -2.142864     -6.031348      1.989267
  N      -3.272095     -6.065431      2.938909
  C      -4.596452     -6.026370      2.286712
  C      -5.610945     -5.397913      3.233388
  N      -5.048648     -4.175253      3.801661
  Mo     -3.091807     -4.063755      4.136860
  N      -2.274831     -5.413050      5.405208
  C      -2.113954     -6.795955      4.975700
  C      -3.164625     -7.146523      3.935585
  H      -2.228046     -7.504195      5.815074
  H      -1.099616     -6.982797      4.565504
  H      -4.142677     -7.231265      4.430307
  H      -2.941927     -8.116264      3.450833
  H      -6.532217     -5.192675      2.661504
  H      -5.898343     -6.121469      4.023583
  H      -4.508669     -5.393598      1.392877
  H      -4.910028     -7.037377      1.964274
  H      -1.004315     -4.572955      0.913816
  H      -2.744477     -4.450310      0.630742
  H      -1.238304     -6.293214      2.555808
  H      -2.268254     -6.777315      1.181203
  C      -0.441928     -2.082762      1.420655
  C      -1.809774     -2.245306      2.091706
  C      -2.955084     -1.670302      1.240862
  C      -2.899741     -0.144144      1.065636
  C      -4.164417      0.377483      0.438032
  C      -5.287280      0.670659      1.225856
  C      -6.487525      1.078310      0.649037
  C      -6.612951      1.213242     -0.744923
  C      -7.888993      1.639758     -1.359724
  C      -7.905222      2.449411     -2.509680
  C      -9.108964      2.848709     -3.089717
  C     -10.326309      2.447698     -2.533426
  C     -10.326627      1.643471     -1.390814
  C      -9.122519      1.244269     -0.811593
  C      -5.484451      0.928465     -1.533110
  C      -4.286618      0.517379     -0.951277
  C      -6.791709     -2.543356      3.041284
  C      -6.044306     -3.172689      4.223564
  C      -7.033358     -3.748501      5.251956
  C      -6.349760     -4.324293      6.498921
  C      -7.311692     -5.034974      7.411506
  C      -7.830537     -6.290919      7.060468
  C      -8.721570     -6.962060      7.891840
  C      -9.130736     -6.402861      9.115861
  C     -10.018733     -7.141242     10.039094
  C      -9.956855     -8.543794     10.129873
  C     -10.773954     -9.244438     11.016200
  C     -11.671709     -8.557766     11.837042
  C     -11.744987     -7.164888     11.758449
  C     -10.930498     -6.465886     10.869332
  C      -8.627686     -5.136884      9.456459
  C      -7.736132     -4.468880      8.619411
  C      -0.285280     -5.828850      6.909552
  C      -1.573909     -5.038048      6.653174
  C      -2.520185     -5.046978      7.871676
  C      -3.165145     -6.392613      8.198680
  C      -4.156721     -6.378133      9.340741
  C      -4.089002     -5.455767     10.393669
  C      -5.025961     -5.467827     11.427104
  C      -6.070004     -6.405937     11.453394
  C      -7.104154     -6.382919     12.509684
  C      -7.721006     -7.567414     12.950063
  C      -8.714955     -7.540260     13.926633
  C      -9.116439     -6.326689     14.489821
  C      -8.514898     -5.140407     14.062998
  C      -7.522092     -5.168738     13.083765
  C      -6.124751     -7.344912     10.408736
  C      -5.193301     -7.323289      9.376485
  H       0.338056     -2.586690      2.009271
  H      -0.178527     -1.017948      1.353374
  H      -0.430253     -2.491555      0.399002
  H      -1.793552     -1.681161      3.037802
  H      -3.902213     -1.933934      1.737852
  H      -2.975012     -2.149191      0.246952
  H      -2.032914      0.135686      0.447564
  H      -2.756853      0.318888      2.056357
  H      -5.214665      0.582544      2.312914
  H      -7.336588      1.322087      1.290537
  H      -6.960637      2.789291     -2.938246
  H      -9.096261      3.484566     -3.976979
  H     -11.268350      2.760042     -2.987102
  H     -11.271437      1.317023     -0.952074
  H      -9.134579      0.594882      0.065770
  H      -5.555176      1.006699     -2.619749
  H      -3.427829      0.291995     -1.588998
  H      -7.425826     -3.274217      2.516945
  H      -6.087067     -2.115470      2.315592
  H      -7.449926     -1.736014      3.396099
  H      -5.468767     -2.374881      4.715962
  H      -7.644249     -4.533287      4.774825
  H      -7.738273     -2.955053      5.549373
  H      -5.842305     -3.515000      7.047941
  H      -5.558442     -5.021155      6.175835
  H      -7.519970     -6.751602      6.118392
  H      -9.113905     -7.934625      7.588370
  H      -9.238281     -9.088653      9.514628
  H     -10.700137    -10.332099     11.075131
  H     -12.308262     -9.103876     12.535271
  H     -12.444866     -6.618193     12.393149
  H     -11.010139     -5.379462     10.805063
  H      -8.898478     -4.694406     10.416217
  H      -7.335091     -3.498799      8.923304
  H       0.397638     -5.754003      6.050986
  H       0.227848     -5.406588      7.785530
  H      -0.462244     -6.894503      7.112289
  H      -1.274721     -3.987898      6.524699
  H      -1.949924     -4.674380      8.739176
  H      -3.317643     -4.310574      7.678579
  H      -2.381432     -7.138397      8.425041
  H      -3.688241     -6.764702      7.302930
  H      -3.293327     -4.709460     10.412227
  H      -4.937677     -4.739525     12.235713
  H      -7.407307     -8.523084     12.527275
  H      -9.182026     -8.473067     14.246886
  H      -9.898268     -6.304857     15.250901
  H      -8.828666     -4.184479     14.486960
  H      -7.080290     -4.233160     12.735978
  H      -6.944039     -8.064312     10.377160
  H      -5.286499     -8.040302      8.556814
  N      -2.857069     -2.604450      5.188538
  H      -3.345983     -2.271032      6.036521
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5679474-ZHfV/orca E -6457.441279084641
  N      -2.099315     -3.654661      2.485304
  C      -1.994625     -4.647341      1.418413
  C      -2.165641     -6.047897      1.990501
  N      -3.297649     -6.071394      2.936992
  C      -4.619763     -6.019505      2.281304
  C      -5.631148     -5.382741      3.225607
  N      -5.058827     -4.167201      3.799268
  Mo     -3.100861     -4.071923      4.134429
  N      -2.289630     -5.427477      5.400430
  C      -2.148483     -6.813573      4.974805
  C      -3.203520     -7.152156      3.935137
  H      -2.273115     -7.518320      5.815693
  H      -1.136658     -7.015709      4.565636
  H      -4.182405     -7.223160      4.430480
  H      -2.993811     -8.125651      3.452100
  H      -6.548196     -5.166749      2.650795
  H      -5.929269     -6.104900      4.013012
  H      -4.523183     -5.387148      1.388176
  H      -4.942288     -7.027122      1.957067
  H      -1.011945     -4.599667      0.917305
  H      -2.750055     -4.464442      0.627273
  H      -1.264792     -6.316553      2.559705
  H      -2.294703     -6.793469      1.182631
  C      -0.442003     -2.108949      1.413433
  C      -1.809611     -2.263250      2.086883
  C      -2.953351     -1.682687      1.237543
  C      -2.888977     -0.156796      1.062512
  C      -4.152294      0.373630      0.439481
  C      -5.271265      0.671532      1.231070
  C      -6.470555      1.087804      0.658385
  C      -6.598794      1.227044     -0.734895
  C      -7.873957      1.662729     -1.345157
  C      -7.888407      2.475419     -2.493009
  C      -9.091294      2.883487     -3.068710
  C     -10.309506      2.488419     -2.510066
  C     -10.311592      1.681306     -1.369508
  C      -9.108315      1.273331     -0.794635
  C      -5.474070      0.937653     -1.526764
  C      -4.277189      0.517914     -0.949122
  C      -6.796322     -2.520428      3.057814
  C      -6.047689     -3.162602      4.232495
  C      -7.035724     -3.741971      5.260099
  C      -6.348600     -4.324209      6.502127
  C      -7.303970     -5.052162      7.407562
  C      -7.786281     -6.323138      7.058969
  C      -8.669442     -7.011978      7.884419
  C      -9.107044     -6.454952      9.099287
  C      -9.980597     -7.210426     10.022478
  C      -9.875069     -8.609150     10.130270
  C     -10.674807     -9.324577     11.020790
  C     -11.598567     -8.656655     11.828170
  C     -11.716021     -7.267960     11.731574
  C     -10.918824     -6.554248     10.838394
  C      -8.642803     -5.173169      9.435946
  C      -7.758503     -4.487976      8.605418
  C      -0.303249     -5.870725      6.901950
  C      -1.577844     -5.057823      6.644051
  C      -2.520778     -5.044026      7.865301
  C      -3.191382     -6.375613      8.195438
  C      -4.179274     -6.345662      9.340799
  C      -4.136549     -5.383245     10.358122
  C      -5.071189     -5.383725     11.394264
  C      -6.087629     -6.349427     11.458371
  C      -7.122664     -6.315920     12.513630
  C      -7.714785     -7.499317     12.990081
  C      -8.711504     -7.463653     13.963502
  C      -9.140594     -6.242153     14.488200
  C      -8.563719     -5.057087     14.025676
  C      -7.568347     -5.094108     13.049224
  C      -6.115755     -7.329064     10.450076
  C      -5.187204     -7.319572      9.415665
  H       0.336141     -2.616823      2.001059
  H      -0.172733     -1.045684      1.344913
  H      -0.434386     -2.518625      0.392085
  H      -1.788875     -1.697994      3.032278
  H      -3.901291     -1.940849      1.735816
  H      -2.977193     -2.161482      0.243677
  H      -2.022491      0.117838      0.441664
  H      -2.739518      0.304761      2.052963
  H      -5.196301      0.580688      2.317732
  H      -7.316460      1.334982      1.302748
  H      -6.942974      2.810742     -2.923285
  H      -9.077146      3.521524     -3.954382
  H     -11.250880      2.807605     -2.960358
  H     -11.257149      1.359491     -0.928964
  H      -9.121915      0.621864      0.081163
  H      -5.547031      1.019380     -2.612999
  H      -3.421312      0.289189     -1.589549
  H      -7.442666     -3.241923      2.535479
  H      -6.092149     -2.097450      2.328786
  H      -7.442531     -1.707130      3.420969
  H      -5.466637     -2.371316      4.728850
  H      -7.648325     -4.524091      4.780822
  H      -7.739506     -2.949615      5.562985
  H      -5.848418     -3.515432      7.058532
  H      -5.551663     -5.011732      6.173030
  H      -7.450966     -6.781955      6.124404
  H      -9.031049     -7.997544      7.584616
  H      -9.135738     -9.137746      9.525499
  H     -10.567094    -10.408561     11.093496
  H     -12.221220     -9.214140     12.529937
  H     -12.436812     -6.736238     12.355498
  H     -11.032358     -5.471752     10.760339
  H      -8.936569     -4.732290     10.389602
  H      -7.386603     -3.505760      8.907398
  H       0.378039     -5.816567      6.040549
  H       0.220983     -5.450585      7.772304
  H      -0.500114     -6.930901      7.114666
  H      -1.259714     -4.014022      6.509254
  H      -1.940959     -4.680915      8.730548
  H      -3.303266     -4.291733      7.672003
  H      -2.421684     -7.136648      8.419137
  H      -3.723169     -6.738096      7.300658
  H      -3.363220     -4.613932     10.346304
  H      -5.002328     -4.623211     12.174595
  H      -7.380249     -8.460846     12.597841
  H      -9.158535     -8.396429     14.311349
  H      -9.924224     -6.213570     15.247211
  H      -8.898884     -4.095456     14.419298
  H      -7.146934     -4.160058     12.673248
  H      -6.913012     -8.073607     10.449211
  H      -5.259893     -8.070315      8.624514
  N      -2.852999     -2.613921      5.185258
  H      -3.335694     -2.279222      6.036269
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5679474-ZHfV/orca E -6457.441097576621
  N      -2.091601     -3.653584      2.488776
  C      -1.984871     -4.645627      1.421640
  C      -2.162934     -6.046427      1.991393
  N      -3.298158     -6.067598      2.933586
  C      -4.617858     -6.006899      2.273979
  C      -5.628878     -5.370829      3.218840
  N      -5.052629     -4.161786      3.802787
  Mo     -3.094526     -4.072357      4.137867
  N      -2.294074     -5.436925      5.401995
  C      -2.159120     -6.822060      4.972098
  C      -3.213314     -7.151598      3.928958
  H      -2.289094     -7.528925      5.810422
  H      -1.147547     -7.028170      4.564179
  H      -4.193925     -7.217970      4.421593
  H      -3.008255     -8.125024      3.443788
  H      -6.542841     -5.146117      2.642542
  H      -5.933252     -6.096218      4.000784
  H      -4.516155     -5.370984      1.383959
  H      -4.943709     -7.011722      1.944308
  H      -0.999476     -4.601172      0.925473
  H      -2.735835     -4.459313      0.627046
  H      -1.264759     -6.318174      2.563415
  H      -2.291150     -6.791071      1.182507
  C      -0.438148     -2.106483      1.412953
  C      -1.803892     -2.261955      2.090091
  C      -2.949526     -1.681930      1.242809
  C      -2.884294     -0.156368      1.064221
  C      -4.150329      0.373973      0.446935
  C      -5.263617      0.680078      1.243225
  C      -6.465841      1.094146      0.674920
  C      -6.602795      1.223087     -0.718481
  C      -7.881171      1.655547     -1.324152
  C      -7.901805      2.459106     -2.478327
  C      -9.107726      2.863869     -3.049989
  C     -10.322964      2.474604     -2.480919
  C     -10.318929      1.676607     -1.333939
  C      -9.112644      1.271952     -0.763109
  C      -5.483395      0.926042     -1.515238
  C      -4.283836      0.508454     -0.941979
  C      -6.782938     -2.499781      3.074808
  C      -6.039493     -3.158936      4.243455
  C      -7.033263     -3.749030      5.259659
  C      -6.352844     -4.358116      6.492384
  C      -7.316325     -5.092075      7.384383
  C      -7.807996     -6.353548      7.014599
  C      -8.698413     -7.048337      7.826934
  C      -9.133899     -6.507614      9.049943
  C     -10.013049     -7.271803      9.960464
  C      -9.917567     -8.672962     10.044153
  C     -10.721077     -9.397506     10.923731
  C     -11.638077     -8.736690     11.744584
  C     -11.745985     -7.345774     11.671374
  C     -10.945204     -6.622895     10.788875
  C      -8.661058     -5.234727      9.407535
  C      -7.769738     -4.543169      8.589595
  C      -0.308217     -5.897053      6.898473
  C      -1.575912     -5.072349      6.643171
  C      -2.514523     -5.048138      7.867588
  C      -3.202512     -6.370812      8.197586
  C      -4.174313     -6.328635      9.355740
  C      -4.106271     -5.363736     10.369116
  C      -5.030407     -5.345404     11.414393
  C      -6.062156     -6.293644     11.491293
  C      -7.089437     -6.237863     12.553273
  C      -7.708748     -7.407764     13.028730
  C      -8.699565     -7.350930     14.007013
  C      -9.093974     -6.121274     14.539682
  C      -8.489596     -4.949373     14.078844
  C      -7.501442     -5.007430     13.096135
  C      -6.113455     -7.278504     10.488594
  C      -5.194043     -7.288827      9.446017
  H       0.342318     -2.614592      1.997294
  H      -0.169815     -1.042950      1.345106
  H      -0.433760     -2.514852      0.391042
  H      -1.781450     -1.696701      3.035487
  H      -3.896274     -1.938877      1.743831
  H      -2.975867     -2.162953      0.250085
  H      -2.021269      0.115295      0.437310
  H      -2.727978      0.306917      2.052795
  H      -5.182081      0.597044      2.330055
  H      -7.307434      1.347372      1.322578
  H      -6.958598      2.789846     -2.916954
  H      -9.098198      3.494764     -3.940829
  H     -11.266705      2.791233     -2.928048
  H     -11.262067      1.359257     -0.885040
  H      -9.121688      0.627348      0.117823
  H      -5.562994      0.999614     -2.601595
  H      -3.432515      0.273151     -1.586107
  H      -7.438500     -3.209482      2.547869
  H      -6.075789     -2.078344      2.347771
  H      -7.419431     -1.682282      3.445590
  H      -5.458600     -2.375535      4.752487
  H      -7.649449     -4.518987      4.765452
  H      -7.733046     -2.957813      5.574712
  H      -5.844801     -3.564182      7.063140
  H      -5.563070     -5.048469      6.152269
  H      -7.474191     -6.800587      6.073836
  H      -9.066422     -8.026433      7.510909
  H      -9.183230     -9.196439      9.428962
  H     -10.620924    -10.483304     10.978058
  H     -12.263320     -9.301494     12.438138
  H     -12.461926     -6.819662     12.305554
  H     -11.051310     -5.538464     10.728971
  H      -8.953951     -4.806996     10.367431
  H      -7.390944     -3.568815      8.908108
  H       0.369222     -5.854057      6.033420
  H       0.224542     -5.478194      7.764238
  H      -0.515198     -6.954022      7.117404
  H      -1.248431     -4.031798      6.505956
  H      -1.926968     -4.694850      8.731639
  H      -3.287768     -4.285107      7.678775
  H      -2.443392     -7.145946      8.408248
  H      -3.750532     -6.718804      7.306466
  H      -3.320463     -4.607326     10.346357
  H      -4.942431     -4.582288     12.190228
  H      -7.401466     -8.375640     12.630036
  H      -9.169952     -8.273105     14.352150
  H      -9.873007     -6.075969     15.302597
  H      -8.798043     -3.981259     14.478393
  H      -7.058604     -4.082845     12.721446
  H      -6.921682     -8.010927     10.498828
  H      -5.284153     -8.043543      8.660525
  N      -2.834259     -2.619968      5.191513
  H      -3.317233     -2.268452      6.035297
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5679474-ZHfV/orca E -6457.441273804508
  N      -2.095958     -3.655949      2.483009
  C      -1.995704     -4.647379      1.414490
  C      -2.162150     -6.048673      1.986022
  N      -3.289182     -6.074199      2.938501
  C      -4.614649     -6.022009      2.289392
  C      -5.621938     -5.387446      3.239526
  N      -5.047548     -4.173013      3.813655
  Mo     -3.087939     -4.076313      4.136950
  N      -2.268758     -5.432177      5.396936
  C      -2.128778     -6.817968      4.969431
  C      -3.189148     -7.156122      3.934939
  H      -2.248623     -7.523489      5.810336
  H      -1.119005     -7.019057      4.554839
  H      -4.165439     -7.228096      4.435250
  H      -2.981473     -8.128963      3.449690
  H      -6.541694     -5.170530      2.669383
  H      -5.916127     -6.111281      4.026811
  H      -4.522732     -5.388122      1.396844
  H      -4.938117     -7.029263      1.965009
  H      -1.015658     -4.598049      0.908433
  H      -2.755437     -4.464495      0.627510
  H      -1.258068     -6.317273      2.550048
  H      -2.294978     -6.793360      1.177937
  C      -0.444640     -2.108260      1.404862
  C      -1.808750     -2.263787      2.085006
  C      -2.956952     -1.682874      1.242049
  C      -2.894075     -0.156934      1.066902
  C      -4.159854      0.372564      0.448048
  C      -5.276411      0.669517      1.243404
  C      -6.477927      1.084876      0.674792
  C      -6.610968      1.224036     -0.718052
  C      -7.888596      1.658492     -1.324028
  C      -7.907735      2.471041     -2.471906
  C      -9.112976      2.877713     -3.043653
  C     -10.328888      2.481339     -2.480929
  C     -10.326308      1.674349     -1.340295
  C      -9.120680      1.267771     -0.769363
  C      -5.488703      0.935607     -1.513710
  C      -4.289500      0.516864     -0.940105
  C      -6.785260     -2.520462      3.087062
  C      -6.034591     -3.170575      4.255993
  C      -7.021679     -3.754689      5.282060
  C      -6.335643     -4.351331      6.518180
  C      -7.295549     -5.079094      7.419347
  C      -7.796066     -6.338999      7.056663
  C      -8.688278     -7.025043      7.874816
  C      -9.116469     -6.477040      9.097085
  C     -10.004025     -7.229432     10.009488
  C      -9.925561     -8.631380     10.096744
  C     -10.740285     -9.344456     10.975526
  C     -11.652514     -8.671157     11.791471
  C     -11.742526     -7.279101     11.716009
  C     -10.930497     -6.567671     10.834395
  C      -8.631158     -5.207415      9.449799
  C      -7.738825     -4.524431      8.625976
  C      -0.280423     -5.876002      6.896339
  C      -1.555223     -5.062972      6.639489
  C      -2.497793     -5.048027      7.860694
  C      -3.167567     -6.379021      8.194557
  C      -4.157108     -6.341980      9.337755
  C      -4.116153     -5.371645     10.347623
  C      -5.056170     -5.360615     11.378592
  C      -6.075561     -6.323059     11.445397
  C      -7.118180     -6.275087     12.492386
  C      -7.715409     -7.451357     12.979846
  C      -8.721033     -7.401441     13.943494
  C      -9.154632     -6.172491     14.446562
  C      -8.572351     -4.994322     13.973196
  C      -7.567807     -5.045613     13.006890
  C      -6.100793     -7.311564     10.445892
  C      -5.167387     -7.312989      9.415812
  H       0.336565     -2.616399      1.988196
  H      -0.176038     -1.044851      1.335924
  H      -0.441964     -2.517029      0.383141
  H      -1.783355     -1.699663      3.030961
  H      -3.902217     -1.941331      1.745225
  H      -2.986011     -2.161243      0.248107
  H      -2.029909      0.118194      0.443026
  H      -2.741580      0.304907      2.056744
  H      -5.197808      0.578486      2.329787
  H      -7.321839      1.331346      1.322034
  H      -6.964104      2.807319     -2.905387
  H      -9.102494      3.515663     -3.929438
  H     -11.272104      2.799402     -2.928150
  H     -11.270055      1.351508     -0.896633
  H      -9.130632      0.616341      0.106509
  H      -5.565469      1.017150     -2.599692
  H      -3.435621      0.288752     -1.583408
  H      -7.433716     -3.238166      2.562134
  H      -6.082186     -2.094346      2.358859
  H      -7.429455     -1.708403      3.456536
  H      -5.451195     -2.383048      4.755585
  H      -7.639166     -4.529631      4.797449
  H      -7.721191     -2.961734      5.593112
  H      -5.828332     -3.550764      7.079957
  H      -5.544409     -5.042173      6.182197
  H      -7.470792     -6.790546      6.115057
  H      -9.065541     -8.000708      7.562097
  H      -9.195688     -9.165154      9.485109
  H     -10.653671    -10.431298     11.031992
  H     -12.287024     -9.227080     12.483791
  H     -12.453706     -6.742824     12.347038
  H     -11.022966     -5.482090     10.772799
  H      -8.916035     -4.774630     10.409890
  H      -7.352694     -3.551445      8.939794
  H       0.400070     -5.822069      6.034340
  H       0.244693     -5.455839      7.766158
  H      -0.477430     -6.936066      7.109327
  H      -1.237197     -4.019164      6.504139
  H      -1.918561     -4.682872      8.725617
  H      -3.280582     -4.296530      7.665910
  H      -2.397503     -7.138157      8.422817
  H      -3.698159     -6.745610      7.300733
  H      -3.341329     -4.603821     10.332537
  H      -4.989609     -4.593264     12.152446
  H      -7.378270     -8.418654     12.604239
  H      -9.171626     -8.329019     14.300494
  H      -9.945302     -6.132866     15.197717
  H      -8.910510     -4.027050     14.350081
  H      -7.142631     -4.117006     12.621713
  H      -6.899985     -8.053893     10.447285
  H      -5.238536     -8.069711      8.630181
  N      -2.836824     -2.619115      5.188421
  H      -3.315189     -2.287427      6.043082
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5679474-ZHfV/orca E -6457.440964539203
  N      -2.106783     -3.654514      2.481978
  C      -2.001077     -4.646238      1.414044
  C      -2.158265     -6.047688      1.987492
  N      -3.285965     -6.078999      2.939911
  C      -4.610870     -6.040870      2.288787
  C      -5.625446     -5.406906      3.231595
  N      -5.060861     -4.184685      3.798132
  Mo     -3.103416     -4.076079      4.131041
  N      -2.271883     -5.418377      5.395509
  C      -2.120237     -6.805325      4.973722
  C      -3.177552     -7.156383      3.940273
  H      -2.235060     -7.507964      5.817676
  H      -1.108666     -7.000212      4.560961
  H      -4.153614     -7.234165      4.440123
  H      -2.961618     -8.129411      3.458844
  H      -6.544519     -5.200666      2.656193
  H      -5.917979     -6.127033      4.023027
  H      -4.521381     -5.411926      1.392492
  H      -4.926295     -7.052324      1.969877
  H      -1.021857     -4.590441      0.907304
  H      -2.762424     -4.469130      0.627310
  H      -1.253112     -6.310672      2.552246
  H      -2.286627     -6.793554      1.179748
  C      -0.448514     -2.105493      1.416107
  C      -1.817062     -2.261749      2.086807
  C      -2.960525     -1.680582      1.237899
  C      -2.901121     -0.153971      1.068985
  C      -4.161453      0.373859      0.437442
  C      -5.289683      0.656342      1.221744
  C      -6.485024      1.074703      0.642852
  C      -6.600148      1.231069     -0.749824
  C      -7.870916      1.670776     -1.366505
  C      -7.877307      2.498335     -2.503730
  C      -9.076185      2.910342     -3.084974
  C     -10.298176      2.504270     -2.542641
  C     -10.308207      1.682263     -1.412879
  C      -9.108921      1.270332     -0.832405
  C      -5.467039      0.955615     -1.534326
  C      -4.273526      0.534044     -0.950341
  C      -6.802302     -2.560491      3.028182
  C      -6.054884     -3.178163      4.216278
  C      -7.044479     -3.741186      5.251561
  C      -6.366251     -4.274734      6.520880
  C      -7.324185     -4.995772      7.429491
  C      -7.765229     -6.290506      7.116049
  C      -8.649771     -6.973504      7.945530
  C      -9.134571     -6.384335      9.126691
  C     -10.014228     -7.127800     10.053994
  C      -9.871150     -8.516565     10.226745
  C     -10.677637     -9.217479     11.123022
  C     -11.647854     -8.544909     11.869649
  C     -11.801832     -7.165701     11.709658
  C     -10.997045     -6.466631     10.811802
  C      -8.713229     -5.078675      9.425910
  C      -7.823491     -4.401818      8.594986
  C      -0.283442     -5.839713      6.899164
  C      -1.568381     -5.043016      6.641983
  C      -2.514128     -5.045814      7.860642
  C      -3.166411     -6.386436      8.188708
  C      -4.160732     -6.370487      9.328667
  C      -4.138098     -5.408326     10.347197
  C      -5.069672     -5.432893     11.385401
  C      -6.063342     -6.422155     11.449765
  C      -7.093078     -6.415323     12.510024
  C      -7.649063     -7.612932     12.993600
  C      -8.645410     -7.600937     13.968183
  C      -9.112152     -6.389726     14.484373
  C      -8.570273     -5.190525     14.015267
  C      -7.573788     -5.203897     13.039426
  C      -6.078141     -7.394158     10.434722
  C      -5.152010     -7.361536      9.398476
  H       0.327979     -2.613656      2.005737
  H      -0.179059     -1.042182      1.348592
  H      -0.437974     -2.514635      0.394659
  H      -1.797584     -1.698557      3.033385
  H      -3.908612     -1.942603      1.734187
  H      -2.982339     -2.154802      0.241752
  H      -2.030264      0.127134      0.457075
  H      -2.762899      0.305135      2.062166
  H      -5.225037      0.551634      2.307790
  H      -7.337806      1.310722      1.282311
  H      -6.929122      2.842175     -2.921040
  H      -9.056121      3.560086     -3.961970
  H     -11.236417      2.826442     -2.997320
  H     -11.256839      1.351925     -0.985457
  H      -9.128363      0.607594      0.034748
  H      -5.530191      1.050208     -2.620110
  H      -3.410420      0.317156     -1.585119
  H      -7.435105     -3.297837      2.511384
  H      -6.096774     -2.140112      2.299057
  H      -7.460915     -1.750051      3.375198
  H      -5.476479     -2.376241      4.698249
  H      -7.643207     -4.543956      4.789329
  H      -7.760670     -2.948572      5.522640
  H      -5.893894     -3.439537      7.062030
  H      -5.548275     -4.953481      6.226556
  H      -7.396277     -6.772872      6.206323
  H      -8.977693     -7.978475      7.672297
  H      -9.096048     -9.047464      9.670735
  H     -10.540430    -10.293497     11.246512
  H     -12.276900     -9.091024     12.574669
  H     -12.557190     -6.629655     12.287304
  H     -11.137770     -5.391851     10.685976
  H      -9.042095     -4.611172     10.354958
  H      -7.485160     -3.399943      8.870757
  H       0.401167     -5.768006      6.041785
  H       0.230539     -5.419717      7.775719
  H      -0.466046     -6.904457      7.101292
  H      -1.263904     -3.994362      6.511665
  H      -1.940545     -4.676941      8.728103
  H      -3.305478     -4.303231      7.667464
  H      -2.385822     -7.135285      8.415258
  H      -3.689747     -6.758106      7.293148
  H      -3.383551     -4.620705     10.335896
  H      -5.013927     -4.675013     12.169462
  H      -7.286674     -8.567050     12.607553
  H      -9.062575     -8.544909     14.323089
  H      -9.895398     -6.380078     15.244229
  H      -8.933680     -4.236811     14.403037
  H      -7.181387     -4.259541     12.657594
  H      -6.862463     -8.152447     10.431082
  H      -5.213904     -8.107157      8.601346
  N      -2.876835     -2.610712      5.179557
  H      -3.359709     -2.298951      6.039517
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5679474-ZHfV/orca E -6457.441285224457
  N      -2.101434     -3.655608      2.483163
  C      -1.998454     -4.647121      1.414985
  C      -2.162764     -6.048451      1.987083
  N      -3.290694     -6.075844      2.938669
  C      -4.615570     -6.028229      2.288101
  C      -5.625686     -5.394340      3.235598
  N      -5.054830     -4.177386      3.807742
  Mo     -3.096055     -4.076334      4.135216
  N      -2.275218     -5.428408      5.397670
  C      -2.130846     -6.814359      4.971623
  C      -3.189035     -7.156496      3.936279
  H      -2.249865     -7.519056      5.813302
  H      -1.120077     -7.013351      4.558541
  H      -4.165883     -7.230652      4.435188
  H      -2.977951     -8.129218      3.452229
  H      -6.544859     -5.180762      2.663268
  H      -5.919660     -6.117164      4.023942
  H      -4.524260     -5.395672      1.394524
  H      -4.935916     -7.036925      1.965152
  H      -1.018044     -4.596154      0.909861
  H      -2.757743     -4.465851      0.627179
  H      -1.258767     -6.315121      2.552145
  H      -2.293506     -6.793759      1.179222
  C      -0.446606     -2.108259      1.409736
  C      -1.812376     -2.263371      2.086587
  C      -2.958289     -1.681426      1.241365
  C      -2.894915     -0.155433      1.067213
  C      -4.158365      0.374459      0.443983
  C      -5.277921      0.670330      1.235559
  C      -6.476968      1.087505      0.663185
  C      -6.604497      1.229583     -0.729892
  C      -7.879275      1.666838     -1.339830
  C      -7.893118      2.482045     -2.485881
  C      -9.095719      2.891553     -3.061150
  C     -10.314213      2.495407     -2.503868
  C     -10.316884      1.685758     -1.365123
  C      -9.113903      1.276347     -0.790652
  C      -5.479464      0.941709     -1.521790
  C      -4.282671      0.521163     -0.944383
  C      -6.793875     -2.533540      3.065110
  C      -6.044659     -3.173484      4.240573
  C      -7.032939     -3.751910      5.268343
  C      -6.349375     -4.331225      6.513966
  C      -7.309298     -5.057504      7.416271
  C      -7.792913     -6.327549      7.066302
  C      -8.681487     -7.014170      7.887960
  C      -9.124109     -6.456135      9.100524
  C     -10.005887     -7.209227     10.017913
  C      -9.908195     -8.608637     10.123971
  C     -10.716844     -9.321671     11.008341
  C     -11.642555     -8.650952     11.811074
  C     -11.751883     -7.261386     11.716879
  C     -10.945501     -6.550049     10.830056
  C      -8.657784     -5.175537      9.438908
  C      -7.768054     -4.492595      8.612311
  C      -0.285607     -5.864771      6.896533
  C      -1.564066     -5.057096      6.640961
  C      -2.505849     -5.047555      7.862820
  C      -3.170668     -6.381106      8.195885
  C      -4.158780     -6.349463      9.340615
  C      -4.121165     -5.380116     10.351726
  C      -5.056975     -5.377817     11.386452
  C      -6.069147     -6.347751     11.455729
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  C      -7.693660     -7.490794     12.995611
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  C      -9.136211     -6.224657     14.470178
  C      -8.563746     -5.041518     13.996993
  C      -7.562726     -5.084128     13.026718
  C      -6.092417     -7.333701     10.453807
  C      -5.162741     -7.326860      9.420186
  H       0.332826     -2.616935      1.995016
  H      -0.177180     -1.045015      1.341562
  H      -0.441582     -2.516915      0.387989
  H      -1.788791     -1.699783      3.032896
  H      -3.904673     -1.939843      1.742498
  H      -2.985471     -2.159140      0.247035
  H      -2.028349      0.120081      0.446815
  H      -2.746330      0.305999      2.057828
  H      -5.203610      0.576938      2.322045
  H      -7.323124      1.333430      1.307698
  H      -6.947468      2.818146     -2.915076
  H      -9.081187      3.531580     -3.945378
  H     -11.255362      2.815709     -2.953835
  H     -11.262699      1.363100     -0.925749
  H      -9.127890      0.622957      0.083697
  H      -5.552071      1.025283     -2.607904
  H      -3.426455      0.293832     -1.584849
  H      -7.437482     -3.257300      2.542540
  H      -6.089772     -2.109489      2.336710
  H      -7.442584     -1.721692      3.427055
  H      -5.463506     -2.381422      4.735563
  H      -7.644409     -4.534983      4.789184
  H      -7.737646     -2.959126      5.567934
  H      -5.852073     -3.521093      7.070921
  H      -5.550507     -5.018764      6.189553
  H      -7.455736     -6.787497      6.132990
  H      -9.043785     -7.998756      7.585677
  H      -9.167586     -9.140052      9.523290
  H     -10.614894    -10.406309     11.079622
  H     -12.272648     -9.206833     12.507445
  H     -12.473686     -6.726983     12.337367
  H     -11.052530     -5.466688     10.754485
  H      -8.954391     -4.733407     10.391097
  H      -7.395436     -3.511301      8.916502
  H       0.395120     -5.805270      6.035083
  H       0.236970     -5.444380      7.767781
  H      -0.477634     -6.926339      7.106602
  H      -1.250601     -4.011766      6.506621
  H      -1.926689     -4.681934      8.727640
  H      -3.291335     -4.298349      7.670100
  H      -2.397908     -7.138327      8.421436
  H      -3.701595     -6.748124      7.302431
  H      -3.352118     -4.606579     10.335281
  H      -4.992448     -4.611701     12.161698
  H      -7.351161     -8.455137     12.617083
  H      -9.138717     -8.380787     14.320536
  H      -9.924359     -6.191956     15.224294
  H      -8.907179     -4.077283     14.376862
  H      -7.145611     -4.151870     12.641556
  H      -6.886586     -8.081437     10.456773
  H      -5.232065     -8.082054      8.632921
  N      -2.852069     -2.617019      5.185870
  H      -3.333345     -2.288333      6.040107
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5679474-ZHfV/orca E -6457.441217919097
  N      -2.097022     -3.660367      2.482148
  C      -1.995228     -4.650649      1.412802
  C      -2.166791     -6.052327      1.982187
  N      -3.296877     -6.076606      2.931038
  C      -4.620334     -6.020382      2.278456
  C      -5.628586     -5.386438      3.227888
  N      -5.053187     -4.174491      3.806219
  Mo     -3.093876     -4.081185      4.133400
  N      -2.282107     -5.441018      5.393446
  C      -2.146072     -6.826927      4.964874
  C      -3.203526     -7.160265      3.926105
  H      -2.272137     -7.532254      5.805044
  H      -1.135593     -7.032077      4.554051
  H      -4.182074     -7.230549      4.422269
  H      -2.996487     -8.132839      3.440049
  H      -6.546328     -5.166291      2.655787
  H      -5.926269     -6.111653      4.012615
  H      -4.525299     -5.384397      1.387697
  H      -4.944473     -7.026433      1.950997
  H      -1.013370     -4.603168      0.910144
  H      -2.751841     -4.465030      0.623401
  H      -1.265126     -6.323335      2.549006
  H      -2.298624     -6.796036      1.173031
  C      -0.441236     -2.113709      1.408704
  C      -1.806359     -2.268174      2.087110
  C      -2.952395     -1.683840      1.243633
  C      -2.886977     -0.157844      1.069951
  C      -4.151552      0.374363      0.451206
  C      -5.266711      0.676290      1.246639
  C      -6.467234      1.094626      0.678105
  C      -6.600654      1.232060     -0.714868
  C      -7.876913      1.670437     -1.320793
  C      -7.893649      2.481562     -2.469686
  C      -9.097660      2.892095     -3.041255
  C     -10.314767      2.501116     -2.477361
  C     -10.314576      1.695547     -1.335694
  C      -9.110210      1.285129     -0.764930
  C      -5.479858      0.938318     -1.510712
  C      -4.281789      0.516474     -0.937146
  C      -6.792425     -2.522861      3.079175
  C      -6.039968     -3.171559      4.247775
  C      -7.024952     -3.757010      5.274687
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  C      -7.765596     -6.354546      7.058555
  C      -8.646448     -7.051079      7.880141
  C      -9.091372     -6.500241      9.095326
  C      -9.963768     -7.263146     10.013454
  C      -9.848504     -8.661108     10.121317
  C     -10.647176     -9.382945     11.007627
  C     -11.580161     -8.722759     11.810734
  C     -11.707008     -7.334798     11.714601
  C     -10.910625     -6.614757     10.825847
  C      -8.635151     -5.216885      9.436403
  C      -7.750909     -4.525228      8.611274
  C      -0.303220     -5.901852      6.899010
  C      -1.569212     -5.076540      6.637564
  C      -2.514454     -5.049891      7.856527
  C      -3.210928     -6.368908      8.181687
  C      -4.199170     -6.321122      9.325831
  C      -4.150532     -5.349458     10.334149
  C      -5.085243     -5.334545     11.369915
  C      -6.108543     -6.292448     11.441992
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  C      -7.743748     -7.418617     12.982695
  C      -8.740585     -7.367650     13.955538
  C      -9.161126     -6.138983     14.469874
  C      -8.574687     -4.961834     13.998767
  C      -7.579247     -5.014138     13.023281
  C      -6.144864     -7.279172     10.441081
  C      -5.214956     -7.286130      9.407713
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  H      -0.170831     -1.050650      1.341859
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  H      -3.898392     -1.941234      1.746007
  H      -2.981552     -2.161379      0.249258
  H      -2.022037      0.116243      0.446673
  H      -2.734133      0.302664      2.060337
  H      -5.187803      0.586471      2.333123
  H      -7.309950      1.345012      1.325398
  H      -6.948961      2.813595     -2.904134
  H      -9.085287      3.528888     -3.927851
  H     -11.257013      2.822269     -2.924414
  H     -11.259294      1.376893     -0.891062
  H      -9.122077      0.634836      0.111762
  H      -5.557057      1.018143     -2.596803
  H      -3.429164      0.284340     -1.580692
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  H      -5.456550     -2.383745      4.746922
  H      -7.638056     -4.536575      4.791864
  H      -7.728542     -2.966581      5.583094
  H      -5.837805     -3.540245      7.075273
  H      -5.537246     -5.029302      6.178703
  H      -7.426865     -6.808813      6.123029
  H      -9.001474     -8.037484      7.575272
  H      -9.101838     -9.184106      9.520767
  H     -10.531434    -10.466111     11.080356
  H     -12.202431     -9.285484     12.508623
  H     -12.434773     -6.808617     12.335149
  H     -11.031560     -5.532997     10.748661
  H      -8.933722     -4.779952     10.390328
  H      -7.384489     -3.542558      8.918571
  H       0.380349     -5.855260      6.038994
  H       0.223239     -5.485881      7.770031
  H      -0.510957     -6.959798      7.112532
  H      -1.240292     -4.036228      6.501542
  H      -1.930220     -4.699875      8.724270
  H      -3.282709     -4.282936      7.663510
  H      -2.457572     -7.146535      8.403543
  H      -3.749322     -6.717593      7.285092
  H      -3.372128     -4.585421     10.316032
  H      -5.010769     -4.567940     12.143764
  H      -7.415773     -8.385884     12.598862
  H      -9.194888     -8.293994     14.311188
  H      -9.945173     -6.098595     15.227882
  H      -8.902515     -3.994631     14.384840
  H      -7.150121     -4.086294     12.640689
  H      -6.947861     -8.017385     10.445692
  H      -5.292665     -8.042944      8.622844
  N      -2.841238     -2.626649      5.187952
  H      -3.324395     -2.292113      6.038761
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5679474-ZHfV/orca E -6457.441298610497
  N      -2.096245     -3.659926      2.481743
  C      -1.996071     -4.651962      1.413819
  C      -2.164835     -6.052755      1.986053
  N      -3.292728     -6.076300      2.937654
  C      -4.617528     -6.022631      2.287416
  C      -5.624901     -5.386605      3.236375
  N      -5.049125     -4.173266      3.811420
  Mo     -3.089429     -4.078552      4.135378
  N      -2.272146     -5.434596      5.395808
  C      -2.135489     -6.821302      4.969800
  C      -3.195722     -7.157818      3.934757
  H      -2.258339     -7.525135      5.811695
  H      -1.125932     -7.025980      4.556555
  H      -4.172745     -7.227422      4.433990
  H      -2.989573     -8.131376      3.450245
  H      -6.543248     -5.167979      2.664634
  H      -5.921776     -6.109879      4.023174
  H      -4.524114     -5.389039      1.394803
  H      -4.941724     -7.029641      1.963010
  H      -1.015431     -4.604220      0.908819
  H      -2.754701     -4.468475      0.625891
  H      -1.261625     -6.322257      2.551049
  H      -2.298088     -6.797738      1.178295
  C      -0.443142     -2.114509      1.402565
  C      -1.806877     -2.268190      2.083861
  C      -2.954996     -1.685568      1.242041
  C      -2.890687     -0.159792      1.066286
  C      -4.156222      0.370875      0.448061
  C      -5.271616      0.670204      1.244178
  C      -6.472762      1.087773      0.676479
  C      -6.606658      1.226847     -0.716300
  C      -7.883666      1.664454     -1.321265
  C      -7.901774      2.476999     -2.469142
  C      -9.106495      2.886819     -3.039734
  C     -10.322912      2.493659     -2.475847
  C     -10.321347      1.686670     -1.335205
  C      -9.116259      1.276949     -0.765413
  C      -5.485740      0.935554     -1.512806
  C      -4.286885      0.514604     -0.940057
  C      -6.784044     -2.519811      3.079566
  C      -6.035361     -3.168554      4.250518
  C      -7.024332     -3.749895      5.276226
  C      -6.341209     -4.339855      6.517180
  C      -7.302232     -5.069781      7.415308
  C      -7.783620     -6.339594      7.061223
  C      -8.671774     -7.030057      7.880173
  C      -9.116836     -6.475836      9.093613
  C      -9.995001     -7.233407     10.010586
  C      -9.888501     -8.632035     10.118534
  C     -10.691379     -9.348705     11.005299
  C     -11.619918     -8.682505     11.808568
  C     -11.738168     -7.293822     11.712185
  C     -10.937671     -6.578943     10.822957
  C      -8.654613     -5.194609      9.434819
  C      -7.764416     -4.508380      8.611613
  C      -0.286111     -5.883459      6.896016
  C      -1.558583     -5.066800      6.638686
  C      -2.501015     -5.049275      7.859813
  C      -3.179730     -6.376312      8.189733
  C      -4.168289     -6.337247      9.333869
  C      -4.134037     -5.359252     10.336635
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  C      -7.714602     -7.453153     12.984867
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  C      -8.582799     -4.997763     13.972718
  C      -7.578249     -5.046699     13.006392
  C      -6.102329     -7.314919     10.451898
  C      -5.170488     -7.315883      9.420344
  H       0.337790     -2.623833      1.985282
  H      -0.172952     -1.051527      1.333410
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  H      -1.779860     -1.704297      3.029905
  H      -3.899903     -1.942602      1.746696
  H      -2.986083     -2.164215      0.248267
  H      -2.026520      0.114136      0.441853
  H      -2.737250      0.302265      2.055863
  H      -5.192344      0.579183      2.330524
  H      -7.315568      1.336332      1.324360
  H      -6.957672      2.810766     -2.903538
  H      -9.095227      3.524753     -3.925522
  H     -11.265715      2.814213     -2.922154
  H     -11.265528      1.366329     -0.890647
  H      -9.127033      0.625599      0.110504
  H      -5.563329      1.016682     -2.598763
  H      -3.434052      0.284489     -1.584039
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  H      -6.079535     -2.096128      2.351280
  H      -7.427678     -1.706237      3.446612
  H      -5.451213     -2.381048      4.749249
  H      -7.639044     -4.527831      4.792887
  H      -7.725995     -2.956663      5.581725
  H      -5.841193     -3.535149      7.079600
  H      -5.544720     -5.027489      6.187120
  H      -7.444302     -6.796793      6.127319
  H      -9.031003     -8.014963      7.575237
  H      -9.145162     -9.159662      9.517855
  H     -10.582486    -10.432568     11.078165
  H     -12.245330     -9.241208     12.506891
  H     -12.462172     -6.762907     12.333094
  H     -11.051274     -5.496328     10.746269
  H      -8.953218     -4.755492     10.387756
  H      -7.394070     -3.527225      8.919039
  H       0.395200     -5.830817      6.034590
  H       0.239372     -5.465099      7.766478
  H      -0.486114     -6.943097      7.108343
  H      -1.237536     -4.023883      6.503318
  H      -1.919002     -4.690720      8.725672
  H      -3.278811     -4.291999      7.667287
  H      -2.415435     -7.142460      8.413850
  H      -3.713641     -6.735624      7.294749
  H      -3.366721     -4.584221     10.314465
  H      -5.009204     -4.577128     12.138831
  H      -7.373397     -8.419831     12.611298
  H      -9.167979     -8.334257     14.306696
  H      -9.951111     -6.139957     15.199250
  H      -8.925286     -4.031173     14.347442
  H      -7.157515     -4.116991     12.619013
  H      -6.896164     -8.062972     10.459132
  H      -5.237216     -8.077843      8.639399
  N      -2.837390     -2.621006      5.186328
  H      -3.317144     -2.287975      6.039691
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5679474-ZHfV/orca E -6457.441299749494
  N      -2.099344     -3.657852      2.481273
  C      -1.998154     -4.649430      1.413032
  C      -2.165074     -6.050539      1.984972
  N      -3.292669     -6.075721      2.936978
  C      -4.617768     -6.023852      2.287134
  C      -5.625780     -5.389494      3.236554
  N      -5.051591     -4.175374      3.811503
  Mo     -3.091980     -4.077938      4.134824
  N      -2.272970     -5.432826      5.395091
  C      -2.134018     -6.819295      4.968843
  C      -3.193767     -7.157364      3.933798
  H      -2.255666     -7.523397      5.810652
  H      -1.124147     -7.022235      4.555531
  H      -4.170664     -7.228844      4.432992
  H      -2.985897     -8.130401      3.448970
  H      -6.544708     -5.172243      2.665185
  H      -5.921190     -6.113342      4.023384
  H      -4.525562     -5.389866      1.394682
  H      -4.940528     -7.031260      1.962558
  H      -1.017649     -4.600319      0.907892
  H      -2.757112     -4.466673      0.625256
  H      -1.261425     -6.319164      2.549667
  H      -2.297707     -6.795433      1.177028
  C      -0.445233     -2.111799      1.404761
  C      -1.809650     -2.265802      2.084549
  C      -2.956856     -1.682628      1.241899
  C      -2.892155     -0.156839      1.066551
  C      -4.156339      0.373923      0.445609
  C      -5.273424      0.673159      1.239401
  C      -6.473293      1.091004      0.669243
  C      -6.604168      1.230447     -0.723791
  C      -7.879832      1.668365     -1.331373
  C      -7.895405      2.481185     -2.479091
  C      -9.098870      2.891283     -3.052129
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  C     -10.317470      1.690874     -1.350450
  C      -9.113638      1.280871     -0.778210
  C      -5.481585      0.939235     -1.517957
  C      -4.283985      0.518020     -0.942741
  C      -6.790062     -2.525431      3.080720
  C      -6.039021     -3.172110      4.251264
  C      -7.025931     -3.754360      5.278360
  C      -6.341078     -4.342379      6.519373
  C      -7.301175     -5.071908      7.418820
  C      -7.782754     -6.341986      7.066045
  C      -8.671325     -7.031349      7.885515
  C      -9.116842     -6.475663      9.098111
  C      -9.997030     -7.231425     10.014607
  C      -9.892872     -8.630143     10.123390
  C     -10.698604     -9.345214     11.008855
  C     -11.627873     -8.677304     11.809853
  C     -11.743868     -7.288485     11.712584
  C     -10.940474     -6.575211     10.824696
  C      -8.653735     -5.194506      9.438415
  C      -7.763037     -4.509464      8.614780
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  C      -4.170618     -6.337206      9.332674
  C      -4.134830     -5.360922     10.337086
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  C      -6.103575     -7.316231     10.451459
  C      -5.173527     -7.315176      9.418247
  H       0.335050     -2.621276      1.988213
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  H      -0.442854     -2.520297      0.382941
  H      -1.783489     -1.702484      3.030962
  H      -3.902248     -1.939571      1.745654
  H      -2.987177     -2.160955      0.247952
  H      -2.026605      0.117211      0.444078
  H      -2.740947      0.305136      2.056506
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  H      -7.317453      1.339482      1.315390
  H      -6.950348      2.814943     -2.911412
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  H     -11.258340      2.818900     -2.939124
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  H      -9.126321      0.629325      0.097533
  H      -5.556844      1.020662     -2.604053
  H      -3.429786      0.288015     -1.584946
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  H      -5.455498     -2.383404      4.748830
  H      -7.639997     -4.533475      4.796087
  H      -7.728453     -2.961918      5.583895
  H      -5.841375     -3.536665      7.080615
  H      -5.544146     -5.029629      6.189586
  H      -7.443988     -6.800043      6.132369
  H      -9.031174     -8.016200      7.581069
  H      -9.149320     -9.159237      9.524253
  H     -10.591543    -10.429219     11.082328
  H     -12.255573     -9.234791     12.507098
  H     -12.468384     -6.756163     12.331692
  H     -11.052454     -5.492480     10.747184
  H      -8.952599     -4.754066     10.390653
  H      -7.392604     -3.528066      8.921327
  H       0.394492     -5.825462      6.035383
  H       0.236902     -5.461205      7.767423
  H      -0.486117     -6.939696      7.107675
  H      -1.240832     -4.021141      6.503588
  H      -1.922468     -4.689886      8.725497
  H      -3.281912     -4.291140      7.666701
  H      -2.417582     -7.141572      8.412006
  H      -3.716182     -6.734670      7.293351
  H      -3.367342     -4.586038     10.315368
  H      -5.006351     -4.582732     12.142682
  H      -7.365443     -8.427524     12.614609
  H      -9.153971     -8.346857     14.316523
  H      -9.936827     -6.155058     15.215244
  H      -8.916591     -4.043567     14.363326
  H      -7.154857     -4.124353     12.628603
  H      -6.897474     -8.064204     10.458491
  H      -5.241670     -8.075591      8.635899
  N      -2.842606     -2.620102      5.186177
  H      -3.322676     -2.289467      6.040323
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5679474-ZHfV/orca E -6457.441301008032
  N      -2.098382     -3.660234      2.480511
  C      -1.998259     -4.652193      1.412542
  C      -2.168113     -6.052948      1.984587
  N      -3.296042     -6.075769      2.936231
  C      -4.620838     -6.020355      2.286068
  C      -5.627732     -5.384483      3.235656
  N      -5.050750     -4.172657      3.812697
  Mo     -3.090692     -4.079040      4.134575
  N      -2.273398     -5.435940      5.393686
  C      -2.139245     -6.823000      4.967835
  C      -3.200164     -7.157769      3.932915
  H      -2.263415     -7.526391      5.809878
  H      -1.130080     -7.029578      4.554627
  H      -4.177210     -7.226295      4.432251
  H      -2.995353     -8.131419      3.448003
  H      -6.545690     -5.164026      2.663931
  H      -5.925687     -6.108506      4.021352
  H      -4.526842     -5.385939      1.394123
  H      -4.945839     -7.026753      1.960600
  H      -1.017337     -4.604972      0.908029
  H      -2.756370     -4.468197      0.624237
  H      -1.265183     -6.323334      2.549586
  H      -2.301958     -6.797608      1.176619
  C      -0.444118     -2.115664      1.401988
  C      -1.807921     -2.268515      2.083261
  C      -2.955620     -1.684612      1.241761
  C      -2.889965     -0.158908      1.066017
  C      -4.154480      0.372702      0.446496
  C      -5.270356      0.673098      1.241546
  C      -6.470583      1.091732      0.672714
  C      -6.603039      1.230856     -0.720203
  C      -7.879080      1.669655     -1.326358
  C      -7.895384      2.482091     -2.474337
  C      -9.099210      2.893017     -3.046024
  C     -10.316498      2.501091     -2.483156
  C     -10.316722      1.694227     -1.342426
  C      -9.112530      1.283398     -0.771537
  C      -5.481661      0.938467     -1.515640
  C      -4.283713      0.516445     -0.941748
  C      -6.787126     -2.517789      3.087799
  C      -6.036105     -3.168855      4.255923
  C      -7.023131     -3.752236      5.282309
  C      -6.338186     -4.344897      6.521083
  C      -7.298508     -5.076603      7.418433
  C      -7.775586     -6.348269      7.065319
  C      -8.663760     -7.039946      7.883334
  C      -9.113521     -6.484831      9.094582
  C      -9.991573     -7.243001     10.011085
  C      -9.881056     -8.641009     10.122518
  C     -10.683863     -9.358080     11.009063
  C     -11.616528     -8.692920     11.808405
  C     -11.739010     -7.304852     11.708283
  C     -10.938577     -6.589612     10.819310
  C      -8.655611     -5.201780      9.434709
  C      -7.765111     -4.514601      8.612740
  C      -0.289907     -5.890176      6.895465
  C      -1.559633     -5.069597      6.636834
  C      -2.502878     -5.048459      7.857317
  C      -3.188948     -6.372030      8.185115
  C      -4.176787     -6.330147      9.329839
  C      -4.147249     -5.345173     10.325841
  C      -5.082160     -5.335673     11.361511
  C      -6.086105     -6.312785     11.445910
  C      -7.123451     -6.269260     12.498262
  C      -7.705825     -7.448432     12.996236
  C      -8.708938     -7.402742     13.962802
  C      -9.154489     -6.175289     14.458687
  C      -8.586349     -4.994028     13.975519
  C      -7.584701     -5.041134     13.006115
  C      -6.102441     -7.312841     10.457848
  C      -5.172909     -7.314284      9.424292
  H       0.336400     -2.625711      1.984634
  H      -0.173087     -1.052882      1.333026
  H      -0.443187     -2.524281      0.380211
  H      -1.780351     -1.705062      3.029562
  H      -3.900631     -1.940716      1.746666
  H      -2.987414     -2.163148      0.247956
  H      -2.024953      0.114351      0.442448
  H      -2.737193      0.303123      2.055703
  H      -5.192229      0.581949      2.327960
  H      -7.313757      1.341086      1.319809
  H      -6.950580      2.814893     -2.907945
  H      -9.086570      3.530850     -3.931865
  H     -11.258600      2.822505     -2.930325
  H     -11.261613      1.374855     -0.898681
  H      -9.124676      0.632165      0.104445
  H      -5.558166      1.019606     -2.601672
  H      -3.430490      0.285515     -1.584918
  H      -7.436979     -3.234983      2.563915
  H      -6.084071     -2.093095      2.358747
  H      -7.429732     -1.704681      3.457681
  H      -5.450772     -2.382515      4.755091
  H      -7.638935     -4.528983      4.798422
  H      -7.724086     -2.959473      5.590595
  H      -5.837682     -3.541440      7.084842
  H      -5.542005     -5.031758      6.188752
  H      -7.433170     -6.805955      6.132779
  H      -9.019371     -8.026371      7.578959
  H      -9.134768     -9.167724      9.524680
  H     -10.571824    -10.441434     11.084678
  H     -12.241859     -9.251964     12.506529
  H     -12.466307     -6.774692     12.325987
  H     -11.055510     -5.507554     10.739688
  H      -8.957901     -4.761741     10.386034
  H      -7.398306     -3.531971      8.919720
  H       0.392160     -5.840300      6.034478
  H       0.236301     -5.472872      7.765988
  H      -0.493482     -6.949010      7.108388
  H      -1.235135     -4.027774      6.501141
  H      -1.919497     -4.694224      8.724097
  H      -3.276329     -4.286664      7.665205
  H      -2.428928     -7.142929      8.407321
  H      -3.725051     -6.726679      7.289515
  H      -3.385389     -4.565033     10.296968
  H      -5.022929     -4.557803     12.125393
  H      -7.359422     -8.414814     12.626716
  H      -9.148730     -8.332566     14.327426
  H      -9.943238     -6.139131     15.212025
  H      -8.933618     -4.027870     14.346938
  H      -7.171333     -4.110513     12.613062
  H      -6.891284     -8.066051     10.471632
  H      -5.236103     -8.081859      8.648533
  N      -2.837332     -2.621954      5.186045
  H      -3.316272     -2.290060      6.040328
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5679474-ZHfV/orca E -6457.441303788718
  N      -2.093522     -3.663677      2.478005
  C      -1.994314     -4.656425      1.410769
  C      -2.168923     -6.056514      1.983257
  N      -3.297617     -6.075521      2.934033
  C      -4.621758     -6.014166      2.283054
  C      -5.627152     -5.376405      3.232964
  N      -5.045665     -4.168942      3.814695
  Mo     -3.084842     -4.080716      4.133277
  N      -2.271359     -5.440872      5.390827
  C      -2.144903     -6.828923      4.965755
  C      -3.207059     -7.158261      3.930365
  H      -2.273956     -7.530872      5.808265
  H      -1.136680     -7.041677      4.553464
  H      -4.184663     -7.222324      4.429226
  H      -3.006715     -8.132731      3.445203
  H      -6.543117     -5.150076      2.660307
  H      -5.929808     -6.101234      4.016097
  H      -4.524696     -5.378601      1.392279
  H      -4.950120     -7.018810      1.955556
  H      -1.012440     -4.612259      0.907822
  H      -2.750618     -4.470759      0.621116
  H      -1.267298     -6.329462      2.549103
  H      -2.304407     -6.801042      1.175420
  C      -0.440766     -2.120775      1.394542
  C      -1.802745     -2.272349      2.079717
  C      -2.952389     -1.687584      1.241422
  C      -2.885782     -0.162088      1.064267
  C      -4.151661      0.370249      0.448232
  C      -5.264291      0.674019      1.246530
  C      -6.465822      1.093489      0.681072
  C      -6.602905      1.230161     -0.711638
  C      -7.880264      1.670092     -1.314176
  C      -7.899155      2.480295     -2.463688
  C      -9.104248      2.892327     -3.031900
  C     -10.320252      2.503769     -2.463953
  C     -10.317905      1.699148     -1.321635
  C      -9.112462      1.287214     -0.754218
  C      -5.484785      0.934304     -1.510397
  C      -4.285555      0.511421     -0.939853
  C      -6.778808     -2.505384      3.101129
  C      -6.027600     -3.164694      4.264484
  C      -7.014757     -3.750813      5.289214
  C      -6.330093     -4.354512      6.522835
  C      -7.292659     -5.087413      7.416616
  C      -7.765349     -6.360667      7.063447
  C      -8.654176     -7.053908      7.879561
  C      -9.109412     -6.498425      9.088542
  C      -9.984652     -7.258606     10.005960
  C      -9.866124     -8.655542     10.122202
  C     -10.664588     -9.374089     11.011521
  C     -11.600795     -8.711532     11.808883
  C     -11.731519     -7.324559     11.703667
  C     -10.935569     -6.607918     10.811826
  C      -8.657514     -5.212957      9.427460
  C      -7.765913     -4.524629      8.607853
  C      -0.293940     -5.907868      6.896649
  C      -1.557078     -5.078032      6.634633
  C      -2.502091     -5.048529      7.853574
  C      -3.204846     -6.364209      8.175605
  C      -4.191403     -6.316798      9.321265
  C      -4.175602     -5.314880     10.300361
  C      -5.108846     -5.302481     11.337663
  C      -6.097843     -6.292837     11.440011
  C      -7.134408     -6.248397     12.493104
  C      -7.702941     -7.428047     13.005759
  C      -8.706258     -7.382321     13.972148
  C      -9.165769     -6.154273     14.453520
  C      -8.611122     -4.972452     13.956150
  C      -7.609506     -5.019692     12.986769
  C      -6.101252     -7.308599     10.467794
  C      -5.172897     -7.313786      9.433400
  H       0.341003     -2.631409      1.975014
  H      -0.168982     -1.058254      1.324634
  H      -0.443153     -2.529608      0.372848
  H      -1.772048     -1.708769      3.025863
  H      -3.896000     -1.942268      1.749700
  H      -2.987935     -2.166893      0.248106
  H      -2.022393      0.109788      0.437844
  H      -2.729543      0.300536      2.053126
  H      -5.182557      0.584826      2.332845
  H      -7.306317      1.345513      1.330610
  H      -6.955280      2.810490     -2.901290
  H      -9.093595      3.528410     -3.919025
  H     -11.263341      2.826063     -2.908397
  H     -11.261804      1.382405     -0.873908
  H      -9.122677      0.637732      0.123084
  H      -5.564927      1.013414     -2.596318
  H      -3.434980      0.277812     -1.585561
  H      -7.433705     -3.217425      2.576537
  H      -6.075777     -2.081359      2.371621
  H      -7.416235     -1.690532      3.476081
  H      -5.439118     -2.382839      4.766964
  H      -7.634718     -4.521867      4.801489
  H      -7.711898     -2.957199      5.603930
  H      -5.825173     -3.557167      7.091342
  H      -5.537623     -5.042823      6.184922
  H      -7.418169     -6.818993      6.132972
  H      -9.004786     -8.042289      7.575667
  H      -9.116827     -9.179924      9.526078
  H     -10.546190    -10.456495     11.090974
  H     -12.222516     -9.271748     12.509277
  H     -12.461842     -6.796408     12.319524
  H     -11.058783     -5.526833     10.728459
  H      -8.964428     -4.772264     10.376963
  H      -7.402688     -3.540831      8.915362
  H       0.389557     -5.865353      6.036420
  H       0.234317     -5.492430      7.766801
  H      -0.506002     -6.964542      7.111968
  H      -1.224483     -4.038838      6.498099
  H      -1.915934     -4.704222      8.722532
  H      -3.265725     -4.276694      7.662233
  H      -2.455080     -7.146275      8.393319
  H      -3.745361     -6.707404      7.277893
  H      -3.426406     -4.523318     10.256782
  H      -5.059900     -4.511031     12.088203
  H      -7.345443     -8.394916     12.648280
  H      -9.135136     -8.312691     14.348267
  H      -9.954563     -6.118137     15.206804
  H      -8.969067     -4.005947     14.316350
  H      -7.207135     -4.089047     12.582545
  H      -6.879563     -8.072318     10.494494
  H      -5.225668     -8.095022      8.670589
  N      -2.824461     -2.624978      5.184860
  H      -3.302460     -2.289197      6.038120
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5679474-ZHfV/orca E -6457.441305539285
  N      -2.091530     -3.664902      2.476563
  C      -1.991301     -4.658170      1.409952
  C      -2.166701     -6.057983      1.982983
  N      -3.296054     -6.076313      2.932974
  C      -4.619705     -6.014221      2.281061
  C      -5.625559     -5.376479      3.230478
  N      -5.043769     -4.169922      3.813766
  Mo     -3.082934     -4.081636      4.131994
  N      -2.270870     -5.441902      5.390119
  C      -2.145438     -6.830262      4.965714
  C      -3.206913     -7.159043      3.929452
  H      -2.276051     -7.531626      5.808469
  H      -1.137047     -7.044191      4.554469
  H      -4.185005     -7.222597      4.427406
  H      -3.006669     -8.133632      3.444490
  H      -6.540724     -5.148997      2.656996
  H      -5.929592     -6.101644      4.012764
  H      -4.521719     -5.378354      1.390610
  H      -4.948174     -7.018616      1.952907
  H      -1.008845     -4.614480      0.908083
  H      -2.746676     -4.472803      0.619338
  H      -1.265566     -6.330895      2.549630
  H      -2.301783     -6.802850      1.175389
  C      -0.439838     -2.122130      1.391294
  C      -1.801081     -2.273603      2.077926
  C      -2.951596     -1.688610      1.240971
  C      -2.884538     -0.163198      1.063253
  C      -4.150911      0.369616      0.448659
  C      -5.262050      0.675159      1.248348
  C      -6.464002      1.095383      0.684345
  C      -6.603017      1.231089     -0.708267
  C      -7.880760      1.672048     -1.309231
  C      -7.900428      2.481384     -2.459339
  C      -9.105888      2.894473     -3.026002
  C     -10.321493      2.507874     -2.455870
  C     -10.318374      1.704131     -1.312933
  C      -9.112568      1.291138     -0.747066
  C      -5.486393      0.933390     -1.508447
  C      -4.286751      0.509747     -0.939348
  C      -6.777232     -2.505424      3.102814
  C      -6.025575     -3.166208      4.265047
  C      -7.012481     -3.753719      5.289208
  C      -6.327774     -4.360218      6.521407
  C      -7.291143     -5.092713      7.414597
  C      -7.761824     -6.367110      7.062983
  C      -8.651037     -7.059985      7.879044
  C      -9.108881     -6.502843      9.086262
  C      -9.983854     -7.262583     10.004308
  C      -9.862860     -8.659032     10.123827
  C     -10.660710     -9.377023     11.014142
  C     -11.598727     -8.714405     11.809319
  C     -11.731965     -7.327914     11.700812
  C     -10.936679     -6.611843     10.807910
  C      -8.659440     -5.215984      9.423214
  C      -7.767258     -4.528186      8.603842
  C      -0.295562     -5.910977      6.898015
  C      -1.557201     -5.079300      6.634334
  C      -2.503110     -5.047598      7.852523
  C      -3.211725     -6.360635      8.171629
  C      -4.196782     -6.312226      9.318551
  C      -4.185909     -5.304377     10.291535
  C      -5.117820     -5.291538     11.330090
  C      -6.100931     -6.286902     11.439404
  C      -7.136683     -6.242436     12.493300
  C      -7.699725     -7.422321     13.011446
  C      -8.702703     -7.376827     13.978236
  C      -9.167253     -6.148760     14.454684
  C      -8.617887     -4.966693     13.952058
  C      -7.616751     -5.013738     12.982204
  C      -6.099802     -7.308090     10.472794
  C      -5.172396     -7.314200      9.437636
  H       0.342545     -2.632740      1.970965
  H      -0.168088     -1.059629      1.321012
  H      -0.443329     -2.531065      0.369639
  H      -1.769307     -1.710038      3.024059
  H      -3.894589     -1.942687      1.750697
  H      -2.988735     -2.168259      0.247876
  H      -2.021768      0.108092      0.435723
  H      -2.726897      0.299647      2.051785
  H      -5.178760      0.586854      2.334618
  H      -7.303249      1.348846      1.334934
  H      -6.956821      2.810088     -2.898638
  H      -9.095826      3.529870     -3.913626
  H     -11.264868      2.831011     -2.899093
  H     -11.261973      1.388920     -0.863495
  H      -9.122224      0.642367      0.130767
  H      -5.568052      1.011738     -2.594311
  H      -3.437367      0.274803     -1.586139
  H      -7.432979     -3.216668      2.578222
  H      -6.074491     -2.081287      2.373088
  H      -7.413819     -1.690454      3.478915
  H      -5.436912     -2.385065      4.768420
  H      -7.633222     -4.523438      4.800336
  H      -7.708951     -2.960238      5.605761
  H      -5.821235     -3.564539      7.090840
  H      -5.536533     -5.049222      6.182172
  H      -7.412562     -6.826854      6.133988
  H      -8.999690     -8.049445      7.576421
  H      -9.112058     -9.183368      9.529572
  H     -10.540345    -10.459021     11.096158
  H     -12.219884     -9.274189     12.510556
  H     -12.463760     -6.799698     12.314863
  H     -11.061846     -5.531182     10.721982
  H      -8.968535     -4.773708     10.371267
  H      -7.405618     -3.543482      8.910306
  H       0.388505     -5.870489      6.038151
  H       0.232819     -5.495429      7.768030
  H      -0.509432     -6.967075      7.114371
  H      -1.222795     -4.040734      6.497388
  H      -1.916280     -4.707336      8.722638
  H      -3.263241     -4.272174      7.661784
  H      -2.465717     -7.147082      8.386280
  H      -3.754578     -6.698443      7.273170
  H      -3.441803     -4.508387     10.242142
  H      -5.072584     -4.495268     12.075742
  H      -7.338184     -8.389211     12.658091
  H      -9.127282     -8.307414     14.358697
  H      -9.955765     -6.112830     15.208271
  H      -8.979694     -4.000216     14.308448
  H      -7.218671     -4.083038     12.573886
  H      -6.874064     -8.075733     10.504343
  H      -5.221504     -8.100273      8.679545
  N      -2.821570     -2.625891      5.183284
  H      -3.299885     -2.288493      6.035708
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5679474-ZHfV/orca E -6457.441306555668
  N      -2.086816     -3.664011      2.474748
  C      -1.982949     -4.657729      1.408975
  C      -2.156284     -6.057520      1.982756
  N      -3.286861     -6.077607      2.931287
  C      -4.609708     -6.018508      2.277407
  C      -5.618239     -5.382864      3.225369
  N      -5.039590     -4.175117      3.809158
  Mo     -3.079473     -4.081930      4.129393
  N      -2.269025     -5.439944      5.390650
  C      -2.139067     -6.828133      4.966925
  C      -3.196977     -7.160129      3.928026
  H      -2.269839     -7.529465      5.809671
  H      -1.129123     -7.039355      4.558110
  H      -4.176168     -7.227011      4.423288
  H      -2.992295     -8.133956      3.443427
  H      -6.532962     -5.157244      2.650487
  H      -5.921837     -6.108547      4.007357
  H      -4.511849     -5.382399      1.387108
  H      -4.935406     -7.023650      1.948780
  H      -0.999779     -4.612478      0.908627
  H      -2.737423     -4.474516      0.616976
  H      -1.255380     -6.328212      2.550855
  H      -2.288813     -6.803245      1.175541
  C      -0.438368     -2.118696      1.388191
  C      -1.798669     -2.272197      2.076157
  C      -2.950940     -1.688245      1.240938
  C      -2.885229     -0.162801      1.063144
  C      -4.152628      0.369309      0.450029
  C      -5.262620      0.675091      1.251219
  C      -6.465380      1.095176      0.688838
  C      -6.606370      1.230534     -0.703607
  C      -7.884867      1.671710     -1.302802
  C      -7.905968      2.480831     -2.453035
  C      -9.112125      2.894303     -3.017930
  C     -10.327009      2.508322     -2.445849
  C     -10.322469      1.704782     -1.302771
  C      -9.115966      1.291407     -0.738675
  C      -5.490924      0.932482     -1.505302
  C      -4.290476      0.508944     -0.937826
  C      -6.775952     -2.514485      3.095824
  C      -6.023901     -3.173183      4.259015
  C      -7.010498     -3.762341      5.282434
  C      -6.325941     -4.369652      6.514195
  C      -7.290919     -5.097543      7.409420
  C      -7.765150     -6.371579      7.061557
  C      -8.656252     -7.059532      7.879777
  C      -9.112585     -6.497730      9.085429
  C      -9.990928     -7.252293     10.004618
  C      -9.875567     -8.649009     10.126856
  C     -10.677351     -9.362284     11.017357
  C     -11.613676     -8.694619     11.810305
  C     -11.741137     -7.307776     11.699407
  C     -10.941986     -6.596384     10.806164
  C      -8.659228     -5.211231      9.418726
  C      -7.765130     -4.528413      8.597246
  C      -0.294674     -5.903311      6.901553
  C      -1.558387     -5.075322      6.636047
  C      -2.505976     -5.046034      7.852968
  C      -3.216834     -6.358906      8.167262
  C      -4.198984     -6.313382      9.316821
  C      -4.189466     -5.304605     10.288834
  C      -5.119591     -5.293639     11.329036
  C      -6.100155     -6.291196     11.440443
  C      -7.134465     -6.248207     12.495801
  C      -7.693897     -7.428898     13.015957
  C      -8.695697     -7.384755     13.984124
  C      -9.162563     -6.157302     14.459900
  C      -8.616575     -4.974475     13.955411
  C      -7.616691     -5.020181     12.984258
  C      -6.098087     -7.312886     10.474341
  C      -5.171872     -7.317719      9.438133
  H       0.345354     -2.628069      1.967138
  H      -0.168311     -1.055789      1.317594
  H      -0.442157     -2.527682      0.366551
  H      -1.766585     -1.708931      3.022481
  H      -3.892846     -1.942866      1.752371
  H      -2.989486     -2.168079      0.247981
  H      -2.023237      0.109237      0.434874
  H      -2.727069      0.300144      2.051550
  H      -5.177683      0.587261      2.337405
  H      -7.303638      1.348936      1.340583
  H      -6.962902      2.809112     -2.893810
  H      -9.103177      3.529543     -3.905678
  H     -11.270931      2.831778     -2.887671
  H     -11.265515      1.390059     -0.851835
  H      -9.124532      0.642824      0.139308
  H      -5.574122      1.010595     -2.591066
  H      -3.442018      0.273869     -1.585782
  H      -7.428891     -3.227743      2.570482
  H      -6.073519     -2.088397      2.366953
  H      -7.415422     -1.701358      3.470993
  H      -5.437302     -2.390633      4.762609
  H      -7.630931     -4.531858      4.792811
  H      -7.707288     -2.969431      5.599767
  H      -5.815754     -3.575088      7.082007
  H      -5.537133     -5.061394      6.175039
  H      -7.417469     -6.835125      6.133878
  H      -9.008067     -8.048619      7.579686
  H      -9.126006     -9.177485      9.534730
  H     -10.561368    -10.444611     11.101348
  H     -12.237893     -9.250730     12.511747
  H     -12.471459     -6.775540     12.311729
  H     -11.062795     -5.515395     10.718194
  H      -8.966950     -4.764942     10.365364
  H      -7.400445     -3.543977      8.900883
  H       0.390151     -5.860841      6.042392
  H       0.231494     -5.486044      7.772076
  H      -0.505372     -6.960080      7.117826
  H      -1.226622     -4.035885      6.499401
  H      -1.920158     -4.709437      8.725189
  H      -3.264760     -4.268970      7.663660
  H      -2.472655     -7.148507      8.376346
  H      -3.762601     -6.690149      7.268071
  H      -3.447794     -4.506455     10.237502
  H      -5.075310     -4.496531     12.073839
  H      -7.330350     -8.395326     12.663305
  H      -9.117433     -8.315879     14.366460
  H      -9.950283     -6.122481     15.214363
  H      -8.980183     -4.008490     14.311298
  H      -7.221220     -4.088925     12.574664
  H      -6.870853     -8.082023     10.506713
  H      -5.220223     -8.104736      8.680946
  N      -2.821718     -2.625270      5.180298
  H      -3.302042     -2.287091      6.031263
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5679474-ZHfV/orca E -6457.441307193718
  N      -2.087480     -3.667696      2.473321
  C      -1.983712     -4.662162      1.408252
  C      -2.159193     -6.061477      1.982654
  N      -3.290413     -6.079608      2.930452
  C      -4.612719     -6.018307      2.275697
  C      -5.620903     -5.381424      3.223151
  N      -5.040610     -4.175166      3.808385
  Mo     -3.080270     -4.084274      4.128137
  N      -2.270649     -5.443040      5.389132
  C      -2.144640     -6.831954      4.966615
  C      -3.203100     -7.161909      3.927608
  H      -2.277733     -7.532270      5.809856
  H      -1.135158     -7.046330      4.558316
  H      -4.182549     -7.226328      4.422709
  H      -3.000592     -8.136429      3.443494
  H      -6.534713     -5.153719      2.647602
  H      -5.926623     -6.107015      4.004375
  H      -4.513169     -5.382174      1.385630
  H      -4.939854     -7.022812      1.946555
  H      -0.999978     -4.618342      0.908869
  H      -2.737173     -4.478567      0.615376
  H      -1.259028     -6.333112      2.551457
  H      -2.292125     -6.807330      1.175615
  C      -0.438470     -2.124353      1.384938
  C      -1.798267     -2.276261      2.074191
  C      -2.950677     -1.691043      1.240022
  C      -2.882925     -0.165666      1.062266
  C      -4.150179      0.368672      0.450752
  C      -5.258843      0.675650      1.253327
  C      -6.461551      1.097931      0.692479
  C      -6.603786      1.234430     -0.699730
  C      -7.882286      1.677901     -1.297245
  C      -7.903422      2.487830     -2.446910
  C      -9.109576      2.903483     -3.010213
  C     -10.324408      2.518915     -2.437067
  C     -10.319831      1.714595     -1.294543
  C      -9.113326      1.299043     -0.732040
  C      -5.489634      0.935255     -1.502787
  C      -4.289231      0.509494     -0.936855
  C      -6.777139     -2.512146      3.101169
  C      -6.023947     -3.173865      4.261911
  C      -7.009599     -3.765041      5.285177
  C      -6.323609     -4.374702      6.515026
  C      -7.287041     -5.105638      7.409358
  C      -7.753322     -6.383093      7.063473
  C      -8.643743     -7.073435      7.880519
  C      -9.107412     -6.510405      9.082732
  C      -9.984601     -7.266642     10.001660
  C      -9.861163     -8.662119     10.129978
  C     -10.661356     -9.376560     11.021011
  C     -11.604231     -8.711307     11.808214
  C     -11.739926     -7.325774     11.691009
  C     -10.942321     -6.613226     10.797280
  C      -8.662186     -5.220502      9.413825
  C      -7.768530     -4.535474      8.593803
  C      -0.297607     -5.912423      6.900092
  C      -1.557747     -5.079293      6.633525
  C      -2.504896     -5.044080      7.850663
  C      -3.224353     -6.352282      8.163723
  C      -4.205346     -6.303190      9.314214
  C      -4.204839     -5.283911     10.275115
  C      -5.134036     -5.270844     11.316273
  C      -6.104651     -6.276563     11.439505
  C      -7.138556     -6.232450     12.495209
  C      -7.688314     -7.412948     13.026111
  C      -8.690345     -7.368329     13.994006
  C      -9.167141     -6.140498     14.458901
  C      -8.630742     -4.957868     13.943806
  C      -7.630666     -5.004110     12.972857
  C      -6.093504     -7.308578     10.484360
  C      -5.168251     -7.315720      9.447493
  H       0.345238     -2.634460      1.963253
  H      -0.167335     -1.061751      1.313892
  H      -0.443631     -2.533545      0.363386
  H      -1.764705     -1.712832      3.020388
  H      -3.892415     -1.944377      1.752364
  H      -2.990765     -2.170844      0.247111
  H      -2.021248      0.105192      0.433057
  H      -2.722854      0.296874      2.050556
  H      -5.172908      0.587008      2.339363
  H      -7.298745      1.352479      1.345283
  H      -6.960352      2.815004     -2.888497
  H      -9.100645      3.539305     -3.897543
  H     -11.268329      2.844067     -2.877648
  H     -11.262857      1.400967     -0.842801
  H      -9.121902      0.649879      0.145514
  H      -5.573827      1.014260     -2.588411
  H      -3.441799      0.273553     -1.585833
  H      -7.431990     -3.223625      2.575804
  H      -6.075444     -2.085698      2.371841
  H      -7.414799     -1.698823      3.478984
  H      -5.436451     -2.392713      4.766609
  H      -7.630644     -4.533585      4.794801
  H      -7.706082     -2.972788      5.604791
  H      -5.813781     -3.580832      7.084140
  H      -5.534402     -5.064931      6.173749
  H      -7.399842     -6.847309      6.138309
  H      -8.989126     -8.065352      7.582254
  H      -9.106515     -9.188380      9.542346
  H     -10.539088    -10.457805     11.109871
  H     -12.227176     -9.268280     12.510103
  H     -12.475429     -6.795479     12.298797
  H     -11.069407     -5.533363     10.704427
  H      -8.975761     -4.773200     10.358042
  H      -7.410249     -3.548194      8.895831
  H       0.386888     -5.875255      6.040419
  H       0.231024     -5.495356      7.769201
  H      -0.513024     -6.967668      7.119137
  H      -1.221385     -4.041565      6.495083
  H      -1.916869     -4.711872      8.723116
  H      -3.258359     -4.261748      7.661744
  H      -2.485475     -7.147392      8.370644
  H      -3.772890     -6.678201      7.264197
  H      -3.471152     -4.479145     10.214377
  H      -5.096543     -4.465432     12.052466
  H      -7.317181     -8.379577     12.682056
  H      -9.104389     -8.299481     14.384601
  H      -9.955007     -6.105305     15.213190
  H      -9.002078     -3.991711     14.291152
  H      -7.243000     -4.073288     12.554907
  H      -6.858440     -8.085077     10.526177
  H      -5.209257     -8.111757      8.699317
  N      -2.820088     -2.627593      5.178599
  H      -3.299054     -2.289405      6.030328
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5679474-ZHfV/orca E -6457.441307802081
  N      -2.089214     -3.666304      2.474965
  C      -1.985934     -4.660203      1.409280
  C      -2.160350     -6.059848      1.983096
  N      -3.291180     -6.079040      2.931346
  C      -4.613806     -6.018961      2.277143
  C      -5.621990     -5.382377      3.224801
  N      -5.042571     -4.174946      3.808501
  Mo     -3.082379     -4.083441      4.129331
  N      -2.271595     -5.441878      5.390187
  C      -2.143777     -6.830388      4.966914
  C      -3.202374     -7.161337      3.928370
  H      -2.275271     -7.531399      5.809834
  H      -1.134229     -7.043104      4.557889
  H      -4.181515     -7.226763      4.423958
  H      -2.999091     -8.135621      3.444106
  H      -6.536554     -5.156199      2.649852
  H      -5.926239     -6.107696      4.006861
  H      -4.515177     -5.383116      1.386757
  H      -4.940376     -7.023847      1.948608
  H      -1.002673     -4.615641      0.909048
  H      -2.740190     -4.476505      0.617186
  H      -1.259763     -6.331186      2.551377
  H      -2.293189     -6.805448      1.175811
  C      -0.439268     -2.122488      1.388675
  C      -1.799865     -2.274763      2.076300
  C      -2.951353     -1.689868      1.240633
  C      -2.884140     -0.164397      1.063453
  C      -4.150930      0.369447      0.450547
  C      -5.261028      0.674781      1.251771
  C      -6.463330      1.096331      0.689504
  C      -6.603708      1.233691     -0.702810
  C      -7.881824      1.676192     -1.301862
  C      -7.902176      2.486948     -2.450958
  C      -9.107965      2.901610     -3.015772
  C     -10.323209      2.515194     -2.444743
  C     -10.319411      1.710038     -1.302806
  C      -9.113267      1.295479     -0.738792
  C      -5.488114      0.936221     -1.504490
  C      -4.288116      0.511200     -0.937146
  C      -6.778843     -2.513588      3.097165
  C      -6.026524     -3.173199      4.259659
  C      -7.012774     -3.762879      5.283206
  C      -6.327150     -4.369481      6.514762
  C      -7.290011     -5.100212      7.409916
  C      -7.758891     -6.376416      7.062788
  C      -8.648574     -7.066819      7.880510
  C      -9.108676     -6.505269      9.084808
  C      -9.985540     -7.261873     10.003734
  C      -9.864610     -8.657879     10.128617
  C     -10.664883     -9.372854     11.019138
  C     -11.605326     -8.707595     11.809247
  C     -11.738416     -7.321525     11.695555
  C     -10.940662     -6.608423     10.802411
  C      -8.660583     -5.216774      9.417450
  C      -7.767882     -4.531501      8.596539
  C      -0.296125     -5.908197      6.899013
  C      -1.558230     -5.077587      6.634185
  C      -2.504389     -5.045085      7.852166
  C      -3.217570     -6.356272      8.168008
  C      -4.199830     -6.308502      9.317439
  C      -4.193589     -5.295653     10.285174
  C      -5.124124     -5.283062     11.325065
  C      -6.101470     -6.283266     11.440596
  C      -7.136251     -6.238983     12.495440
  C      -7.692182     -7.419219     13.020456
  C      -8.694418     -7.374113     13.988083
  C      -9.165354     -6.146083     14.458395
  C      -8.622955     -4.963735     13.948984
  C      -7.622523     -5.010414     12.978396
  C      -6.095691     -7.309341     10.479118
  C      -5.169407     -7.315585      9.443061
  H       0.343858     -2.632530      1.967837
  H      -0.168271     -1.059815      1.318122
  H      -0.443147     -2.531495      0.367047
  H      -1.767601     -1.711359      3.022542
  H      -3.893758     -1.943912      1.751406
  H      -2.989666     -2.169343      0.247496
  H      -2.021876      0.107071      0.435313
  H      -2.725436      0.297901      2.052079
  H      -5.176582      0.585356      2.337859
  H      -7.301721      1.349565      1.341285
  H      -6.958825      2.815523     -2.890903
  H      -9.098433      3.538088     -3.902625
  H     -11.266845      2.839564     -2.886508
  H     -11.262744      1.394967     -0.852715
  H      -9.122414      0.645640      0.138257
  H      -5.570842      1.015917     -2.590177
  H      -3.439536      0.276511     -1.585078
  H      -7.432060     -3.226314      2.571437
  H      -6.076594     -2.086964      2.368470
  H      -7.418091     -1.700685      3.473223
  H      -5.439694     -2.390999      4.763516
  H      -7.632790     -4.532906      4.793877
  H      -7.710097     -2.970489      5.600627
  H      -5.818662     -3.573920      7.082688
  H      -5.536936     -5.059386      6.175062
  H      -7.408025     -6.839469      6.136052
  H      -8.996286     -8.057650      7.581352
  H      -9.111918     -9.184270      9.538589
  H     -10.544614    -10.454541     11.105292
  H     -12.228444     -9.264980     12.510655
  H     -12.471987     -6.791244     12.305690
  H     -11.065726     -5.528095     10.712283
  H      -8.971261     -4.770880     10.363297
  H      -7.407407     -3.545260      8.899355
  H       0.387718     -5.868621      6.038921
  H       0.232212     -5.490939      7.768219
  H      -0.509107     -6.964146      7.117056
  H      -1.224238     -4.039048      6.496143
  H      -1.917044     -4.708748      8.723472
  H      -3.261692     -4.266551      7.662848
  H      -2.474707     -7.146975      8.377687
  H      -3.763991     -6.687473      7.269221
  H      -3.454178     -4.495648     10.230793
  H      -5.082402     -4.482803     12.066635
  H      -7.325612     -8.385984     12.671930
  H      -9.113287     -8.305003     14.374114
  H      -9.953403     -6.110495     15.212474
  H      -8.989774     -3.997385     14.300566
  H      -7.229916     -4.079670     12.564905
  H      -6.865462     -8.081319     10.515320
  H      -5.214833     -8.106270      8.689517
  N      -2.823772     -2.626710      5.180115
  H      -3.302954     -2.289785      6.032234
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5679474-ZHfV/orca E -6457.441308302362
  N      -2.087155     -3.666223      2.474796
  C      -1.983482     -4.660082      1.409125
  C      -2.158007     -6.059753      1.982852
  N      -3.289185     -6.079041      2.930685
  C      -4.611573     -6.018860      2.275998
  C      -5.620084     -5.382461      3.223427
  N      -5.040815     -4.175187      3.807603
  Mo     -3.080725     -4.083554      4.128916
  N      -2.270723     -5.442111      5.390089
  C      -2.142736     -6.830592      4.966738
  C      -3.200782     -7.161472      3.927607
  H      -2.274694     -7.531635      5.809564
  H      -1.132992     -7.043303      4.558210
  H      -4.180194     -7.227120      4.422617
  H      -2.997100     -8.135655      3.443308
  H      -6.534436     -5.156111      2.648215
  H      -5.924624     -6.107945      4.005225
  H      -4.512637     -5.382833      1.385772
  H      -4.937996     -7.023691      1.947152
  H      -1.000075     -4.615474      0.909193
  H      -2.737504     -4.476405      0.616797
  H      -1.257605     -6.331028      2.551461
  H      -2.290513     -6.805367      1.175525
  C      -0.438072     -2.121737      1.388034
  C      -1.798372     -2.274573      2.076127
  C      -2.950390     -1.690055      1.240922
  C      -2.883876     -0.164547      1.063839
  C      -4.151204      0.368874      0.451693
  C      -5.260988      0.673665      1.253562
  C      -6.463760      1.094825      0.692012
  C      -6.604952      1.232325     -0.700207
  C      -7.883557      1.674444     -1.298490
  C      -7.904843      2.485379     -2.447443
  C      -9.111097      2.899686     -3.011524
  C     -10.325883      2.512727     -2.439891
  C     -10.321157      1.707383     -1.298090
  C      -9.114551      1.293180     -0.734806
  C      -5.489687      0.935375     -1.502538
  C      -4.289217      0.510732     -0.935909
  C      -6.776781     -2.513446      3.096357
  C      -6.024875     -3.173578      4.258817
  C      -7.011432     -3.763576      5.281880
  C      -6.326145     -4.371530      6.512949
  C      -7.289700     -5.101135      7.408249
  C      -7.759940     -6.376922      7.061449
  C      -8.650094     -7.066277      7.879549
  C      -9.109322     -6.504063      9.083877
  C      -9.986529     -7.259771     10.003205
  C      -9.866791     -8.655868     10.128225
  C     -10.667385     -9.370025     11.019105
  C     -11.606929     -8.703835     11.809504
  C     -11.738809     -7.317656     11.695715
  C     -10.940772     -6.605376     10.802167
  C      -8.659951     -5.215909      9.416111
  C      -7.766781     -4.531701      8.594841
  C      -0.295961     -5.908665      6.899829
  C      -1.557851     -5.077915      6.634402
  C      -2.504546     -5.045255      7.851959
  C      -3.219385     -6.355819      8.166412
  C      -4.201390     -6.308021      9.316058
  C      -4.195872     -5.294417     10.282992
  C      -5.126225     -5.281841     11.323052
  C      -6.102754     -6.282727     11.439474
  C      -7.137289     -6.238616     12.494570
  C      -7.692071     -7.418972     13.020518
  C      -8.694035     -7.374069     13.988444
  C      -9.165854     -6.146129     14.458093
  C      -8.624560     -4.963657     13.947788
  C      -7.624385     -5.010136     12.976932
  C      -6.096430     -7.309388     10.478625
  C      -5.170229     -7.315710      9.442492
  H       0.345460     -2.631531      1.966869
  H      -0.167498     -1.058957      1.317483
  H      -0.442159     -2.530650      0.366370
  H      -1.766005     -1.711220      3.022395
  H      -3.892486     -1.944502      1.752072
  H      -2.988921     -2.169508      0.247781
  H      -2.022053      0.107326      0.435268
  H      -2.724832      0.297700      2.052435
  H      -5.175911      0.584116      2.339593
  H      -7.301890      1.347658      1.344283
  H      -6.961854      2.814370     -2.887853
  H      -9.102289      3.536316     -3.898277
  H     -11.269882      2.836823     -2.881081
  H     -11.264125      1.391887     -0.847531
  H      -9.122973      0.643192      0.142140
  H      -5.573041      1.015175     -2.588169
  H      -3.440909      0.276441     -1.584341
  H      -7.429519     -3.226022      2.569837
  H      -6.074257     -2.086183      2.368288
  H      -7.416458     -1.700944      3.472560
  H      -5.438141     -2.391627      4.763176
  H      -7.631872     -4.532895      4.791963
  H      -7.708313     -2.971043      5.599926
  H      -5.816229     -3.576906      7.080925
  H      -5.537046     -5.062434      6.172706
  H      -7.409714     -6.840536      6.134758
  H      -8.998827     -8.056851      7.580733
  H      -9.114766     -9.183024      9.538031
  H     -10.548037    -10.451806     11.105354
  H     -12.230303     -9.260579     12.511196
  H     -12.471679     -6.786644     12.306057
  H     -11.064875     -5.524940     10.711968
  H      -8.969956     -4.769482     10.361928
  H      -7.405145     -3.545804      8.897386
  H       0.388215     -5.869270      6.039994
  H       0.232089     -5.491338      7.769175
  H      -0.509106     -6.964572      7.117943
  H      -1.223650     -4.039426      6.496474
  H      -1.917286     -4.710262      8.723844
  H      -3.260888     -4.265726      7.662900
  H      -2.477659     -7.147857      8.375018
  H      -3.766421     -6.685066      7.267241
  H      -3.457158     -4.493815     10.227875
  H      -5.085024     -4.480996     12.064017
  H      -7.324693     -8.385651     12.672585
  H      -9.111975     -8.305037     14.375299
  H      -9.953699     -6.110718     15.212394
  H      -8.992053     -3.997388     14.298887
  H      -7.232608     -4.079337     12.562775
  H      -6.865715     -8.081821     10.515315
  H      -5.215209     -8.106981      8.689537
  N      -2.822129     -2.626913      5.179829
  H      -3.301677     -2.289514      6.031550
