39
Coordinates from ORCA-job JATMUN-r2scan-3c E -705.898795693779
  N       9.234800     11.221300     10.416300
  O       7.448300     12.584700     10.116500
  C       8.180500     11.809000     10.884200
  C       7.635700     11.611700     12.236500
  C       8.072500     10.562300     13.042100
  H       8.827400     10.044300     12.780900
  C       7.407900     10.271400     14.228100
  H       7.701800      9.549800     14.772300
  C       6.325700     11.029000     14.611500
  H       5.863100     10.820000     15.414200
  C       5.909700     12.097300     13.833200
  H       5.172100     12.625000     14.115600
  C       6.553300     12.401500     12.649200
  H       6.263900     13.136800     12.122100
  B       9.707000     11.143000      8.958500
  B      10.051000     12.586500      7.983800
  H       9.904400     13.625500      8.376600
  B      11.381800     11.539400      8.551500
  H      12.120700     11.892600      9.317200
  B      10.811700      9.844800      8.504500
  H      11.173100      9.081300      9.240900
  B       9.130700      9.832100      7.893500
  H       8.385200      9.068300      8.228300
  B       8.671300     11.522400      7.564500
  H       7.611900     11.866600      7.683800
  B       9.712900     12.163200      6.283500
  H       9.347900     12.929200      5.552600
  B       9.151300     10.463700      6.225000
  H       8.423000     10.110600      5.453000
  B      10.475200      9.424200      6.804600
  H      10.617100      8.383500      6.414800
  B      11.860600     10.477100      7.216900
  H      12.917300     10.126500      7.099100
  B      11.392600     12.167700      6.888100
  H      12.139300     12.933500      6.550400
  B      10.833200     10.863900      5.814200
  H      11.215700     10.772400      4.764500
  H       9.773200     10.760800     11.088200
  H       7.812000     12.441900      9.075700
39
Coordinates from ORCA-job JATMUN-r2scan-3c E -705.976093454742
  N       9.230357     11.215282     10.411150
  O       7.432929     12.576405     10.102469
  C       8.168983     11.805812     10.874491
  C       7.629688     11.611495     12.229890
  C       8.077333     10.565251     13.038641
  H       8.878505     10.015278     12.760225
  C       7.421108     10.278096     14.231140
  H       7.740916      9.514955     14.810411
  C       6.332954     11.037281     14.620032
  H       5.847126     10.818194     15.477940
  C       5.907077     12.102629     13.835588
  H       5.122770     12.663612     14.135747
  C       6.545752     12.400376     12.643808
  H       6.233248     13.176882     12.079787
  B       9.706121     11.139242      8.955920
  B      10.054090     12.585050      7.985554
  H       9.904588     13.644160      8.389116
  B      11.382323     11.534967      8.553827
  H      12.134270     11.892584      9.337984
  B      10.810517      9.841122      8.501562
  H      11.176511      9.060167      9.252421
  B       9.130613      9.832054      7.887476
  H       8.367875      9.052931      8.226536
  B       8.673918     11.523978      7.561422
  H       7.590560     11.877420      7.681658
  B       9.718836     12.166436      6.283899
  H       9.348650     12.950381      5.539355
  B       9.154966     10.467781      6.220462
  H       8.412000     10.110479      5.430549
  B      10.476747      9.425155      6.800082
  H      10.620911      8.363976      6.400258
  B      11.862648     10.475124      7.217258
  H      12.941015     10.116219      7.098345
  B      11.397251     12.167180      6.891740
  H      12.160392     12.948582      6.551449
  B      10.838420     10.866712      5.813498
  H      11.230045     10.775353      4.742803
  H       9.777398     10.746498     11.095297
  H       7.777390     12.439703      9.086610
39
Coordinates from ORCA-job JATMUN-r2scan-3c E -706.011809617570
  N       9.198502     11.203248     10.392611
  O       7.380823     12.554591     10.082769
  C       8.129029     11.792304     10.853680
  C       7.610136     11.603920     12.218739
  C       8.081062     10.567438     13.033333
  H       8.909668      9.988206     12.736355
  C       7.453922     10.295193     14.244115
  H       7.805699      9.508310     14.849549
  C       6.365760     11.058633     14.650950
  H       5.881086     10.841077     15.560713
  C       5.915705     12.112294     13.858241
  H       5.102177     12.699783     14.178587
  C       6.529961     12.391693     12.645898
  H       6.188274     13.190210     12.052112
  B       9.691474     11.132322      8.943704
  B      10.055831     12.582093      7.984278
  H       9.898938     13.667389      8.403358
  B      11.373596     11.525879      8.565176
  H      12.134434     11.887200      9.383468
  B      10.798545      9.833996      8.497743
  H      11.161563      9.028578      9.271560
  B       9.126293      9.832782      7.863642
  H       8.336001      9.034239      8.200741
  B       8.678475     11.527660      7.538957
  H       7.562637     11.894808      7.648046
  B       9.740936     12.172410      6.277525
  H       9.372069     12.982025      5.512176
  B       9.172537     10.476092      6.200083
  H       8.416600     10.115745      5.378760
  B      10.484653      9.427124      6.790913
  H      10.634508      8.338651      6.377737
  B      11.867954     10.470484      7.228964
  H      12.976135     10.099185      7.118950
  B      11.411056     12.165165      6.905988
  H      12.200645     12.967615      6.571931
  B      10.862384     10.871462      5.814719
  H      11.276499     10.781169      4.719415
  H       9.750634     10.726036     11.086762
  H       7.680600     12.437791      9.114155
39
Coordinates from ORCA-job JATMUN-r2scan-3c E -706.020198579628
  N       9.120508     11.146440     10.353786
  O       7.284270     12.479269     10.052020
  C       8.042876     11.719637     10.816383
  C       7.558308     11.554366     12.196437
  C       8.058199     10.542761     13.028629
  H       8.869956      9.908433     12.705792
  C       7.503427     10.339404     14.285201
  H       7.887742      9.552841     14.917019
  C       6.452307     11.142007     14.724603
  H       6.012884     10.972193     15.696563
  C       5.965997     12.161861     13.908922
  H       5.160726     12.792628     14.254752
  C       6.510248     12.369644     12.648542
  H       6.133452     13.162092     12.022075
  B       9.649355     11.104049      8.916089
  B      10.036664     12.570841      7.992215
  H       9.856903     13.665145      8.436078
  B      11.340048     11.509908      8.596051
  H      12.082122     11.865274      9.462371
  B      10.775339      9.818182      8.482011
  H      11.120952      8.989487      9.270860
  B       9.123022      9.822609      7.799732
  H       8.311228      9.004460      8.110634
  B       8.678285     11.520850      7.488830
  H       7.536977     11.889524      7.565525
  B       9.775954     12.189009      6.271490
  H       9.419939     13.024494      5.496042
  B       9.215865     10.493553      6.150129
  H       8.469750     10.139634      5.287935
  B      10.514628      9.439718      6.761596
  H      10.683762      8.339360      6.328796
  B      11.879319     10.478900      7.256528
  H      13.011568     10.106902      7.172589
  B      11.425082     12.176350      6.949701
  H      12.234504     13.002426      6.650701
  B      10.915353     10.899763      5.820277
  H      11.368618     10.827462      4.716937
  H       9.671100     10.658469     11.049178
  H       7.559563     12.404856      9.113380
39
Coordinates from ORCA-job JATMUN-r2scan-3c E -706.021368402389
  N       9.067799     11.084138     10.330077
  O       7.209749     12.373911     10.009802
  C       7.980460     11.639381     10.786123
  C       7.513740     11.502534     12.174047
  C       8.033931     10.518640     13.027045
  H       8.812228      9.838192     12.693235
  C       7.541398     10.387207     14.317649
  H       7.944789      9.617248     14.969257
  C       6.529152     11.231184     14.771643
  H       6.139265     11.118791     15.779981
  C       6.013020     12.213868     13.930112
  H       5.228732     12.877224     14.284141
  C       6.495835     12.349264     12.635378
  H       6.093595     13.118129     11.984392
  B       9.619522     11.072144      8.901872
  B      10.018310     12.558850      8.016497
  H       9.821060     13.645735      8.484968
  B      11.313906     11.491414      8.625364
  H      12.034858     11.832590      9.521999
  B      10.760497      9.800667      8.464427
  H      11.091912      8.956397      9.251106
  B       9.122161      9.812659      7.751001
  H       8.303624      8.984076      8.036242
  B       8.675104     11.515025      7.466037
  H       7.525082     11.879345      7.523882
  B       9.794153     12.211427      6.284786
  H       9.447102     13.064961      5.516728
  B       9.243657     10.517506      6.118714
  H       8.509918     10.177675      5.232983
  B      10.535878      9.457070      6.733192
  H      10.719373      8.361161      6.280543
  B      11.885196     10.490681      7.275062
  H      13.025840     10.123848      7.206291
  B      11.428740     12.191330      6.995226
  H      12.243304     13.031329      6.729916
  B      10.947878     10.936422      5.829252
  H      11.424249     10.888231      4.728626
  H       9.619055     10.595366     11.025828
  H       7.502727     12.319180      9.062975
39
Coordinates from ORCA-job JATMUN-r2scan-3c E -706.021952936684
  N       9.010965     11.011920     10.305424
  O       7.101019     12.211508      9.956215
  C       7.906248     11.538600     10.751116
  C       7.468613     11.447240     12.150632
  C       8.031211     10.514405     13.032918
  H       8.783372      9.800847     12.700179
  C       7.607647     10.464038     14.353127
  H       8.045087      9.731541     15.029245
  C       6.622092     11.338129     14.808366
  H       6.292037     11.294002     15.845406
  C       6.054689     12.261409     13.934059
  H       5.284061     12.945398     14.285564
  C       6.469398     12.315852     12.610115
  H       6.027152     13.040857     11.931585
  B       9.585847     11.033735      8.887876
  B      10.007082     12.544113      8.054759
  H       9.797348     13.615919      8.554873
  B      11.286215     11.456736      8.662855
  H      11.981286     11.769652      9.591398
  B      10.734828      9.772977      8.439950
  H      11.042294      8.908325      9.216266
  B       9.112950      9.809609      7.692049
  H       8.284611      8.977708      7.943068
  B       8.674727     11.520817      7.446388
  H       7.522039     11.887501      7.483932
  B       9.821805     12.246843      6.310895
  H       9.491655     13.123677      5.559788
  B       9.271267     10.560577      6.084988
  H       8.552539     10.248779      5.175086
  B      10.548548      9.480135      6.696497
  H      10.740320      8.395390      6.217529
  B      11.886839     10.493834      7.296655
  H      13.029499     10.126348      7.243534
  B      11.439114     12.202004      7.056837
  H      12.261234     13.049080      6.835121
  B      10.982752     10.982518      5.843890
  H      11.482979     10.964653      4.751688
  H       9.572853     10.541610     11.005560
  H       7.402580     12.156515      9.010965
39
Coordinates from ORCA-job JATMUN-r2scan-3c E -706.022188246141
  N       8.965116     10.957956     10.285621
  O       7.011426     12.085697      9.926433
  C       7.847724     11.461695     10.727549
  C       7.441038     11.409795     12.138073
  C       8.040790     10.519254     13.038855
  H       8.779276      9.790671     12.710143
  C       7.665350     10.525273     14.374789
  H       8.130241      9.825230     15.065373
  C       6.693385     11.415739     14.827204
  H       6.406481     11.420237     15.876953
  C       6.085709     12.293409     13.933377
  H       5.323111     12.987000     14.280645
  C       6.451798     12.290965     12.593981
  H       5.979657     12.980499     11.900038
  B       9.554836     11.002663      8.874631
  B       9.995138     12.530533      8.084036
  H       9.774085     13.587291      8.607929
  B      11.259660     11.426391      8.693162
  H      11.929794     11.715094      9.646233
  B      10.710166      9.749285      8.420125
  H      10.995440      8.870545      9.187420
  B       9.103419      9.806903      7.642296
  H       8.268123      8.975170      7.864722
  B       8.673112     11.524641      7.427562
  H       7.520757     11.893613      7.444006
  B       9.844232     12.273007      6.331911
  H       9.529257     13.166290      5.595543
  B       9.294466     10.593814      6.057230
  H       8.591133     10.305671      5.129032
  B      10.557944      9.496981      6.668373
  H      10.756826      8.423399      6.170082
  B      11.885924     10.493267      7.317055
  H      13.027789     10.125088      7.278710
  B      11.445692     12.207033      7.108572
  H      12.272350     13.056964      6.923128
  B      11.011427     11.016737      5.858258
  H      11.531799     11.022688      4.776704
  H       9.541193     10.513373     10.990652
  H       7.321135     12.044938      8.979994
39
Coordinates from ORCA-job JATMUN-r2scan-3c E -706.022319774418
  N       8.965931     10.946054     10.285527
  O       6.992463     12.034243      9.916226
  C       7.842422     11.438968     10.724292
  C       7.443054     11.403504     12.138150
  C       8.047352     10.524179     13.046714
  H       8.786509      9.796251     12.723730
  C       7.673056     10.542028     14.383128
  H       8.139931      9.851491     15.079129
  C       6.698647     11.433940     14.827546
  H       6.413742     11.448346     15.875869
  C       6.087279     12.301008     13.925692
  H       5.324066     12.994525     14.266104
  C       6.451481     12.286311     12.585780
  H       5.977516     12.966237     11.886252
  B       9.551684     10.992580      8.873420
  B       9.994856     12.525898      8.094674
  H       9.772262     13.575900      8.628130
  B      11.257252     11.415546      8.697733
  H      11.921697     11.695275      9.655795
  B      10.706308      9.740617      8.410954
  H      10.986273      8.858810      9.174484
  B       9.100814      9.805872      7.631193
  H       8.264491      8.975885      7.849379
  B       8.672568     11.526070      7.429681
  H       7.521603     11.896290      7.443432
  B       9.846211     12.281298      6.341204
  H       9.532472     13.178940      5.611903
  B       9.294980     10.604474      6.053163
  H       8.592443     10.324951      5.123511
  B      10.556653      9.501801      6.657688
  H      10.754940      8.432818      6.152605
  B      11.884792     10.491832      7.315664
  H      13.025057     10.123431      7.276545
  B      11.446345     12.207580      7.119783
  H      12.272946     13.057334      6.941881
  B      11.012724     11.027132      5.859291
  H      11.533717     11.040758      4.779709
  H       9.554304     10.525238     10.994635
  H       7.315960     12.011387      8.975804
39
Coordinates from ORCA-job JATMUN-r2scan-3c E -706.022409504451
  N       8.971816     10.956043     10.287797
  O       6.969808     11.992888      9.913499
  C       7.840473     11.433465     10.724926
  C       7.448811     11.406775     12.141499
  C       8.058728     10.533464     13.051774
  H       8.807267      9.816530     12.730185
  C       7.679752     10.548424     14.387076
  H       8.149979      9.863601     15.084375
  C       6.694956     11.431189     14.827390
  H       6.405168     11.441991     15.872998
  C       6.080531     12.294514     13.923659
  H       5.312081     12.981566     14.261181
  C       6.448973     12.282597     12.584756
  H       5.974011     12.958734     11.884188
  B       9.550607     10.993673      8.871969
  B      10.001162     12.526836      8.095276
  H       9.780738     13.574325      8.632826
  B      11.258459     11.409717      8.697501
  H      11.919125     11.683945      9.658889
  B      10.700314      9.736748      8.407677
  H      10.973109      8.855174      9.172760
  B       9.095478      9.810097      7.626833
  H       8.255288      8.985296      7.846015
  B       8.674857     11.533120      7.428833
  H       7.526797     11.908717      7.437263
  B       9.852527     12.285023      6.341982
  H       9.542041     13.183819      5.613994
  B       9.294351     10.610402      6.051034
  H       8.591017     10.336259      5.121419
  B      10.551005      9.501461      6.654543
  H      10.744991      8.433053      6.148454
  B      11.883085     10.485104      7.314865
  H      13.021115     10.112492      7.276089
  B      11.451795     12.203117      7.121433
  H      12.281396     13.049207      6.944716
  B      11.013915     11.026289      5.858395
  H      11.534998     11.039403      4.779775
  H       9.576957     10.570814     11.003004
  H       7.299318     11.988927      8.975554
39
Coordinates from ORCA-job JATMUN-r2scan-3c E -706.022466376239
  N       8.983991     10.972248     10.292902
  O       6.957110     11.955954      9.909419
  C       7.842949     11.429231     10.726273
  C       7.452742     11.407711     12.143431
  C       8.067168     10.540326     13.056167
  H       8.825592      9.833221     12.736525
  C       7.681997     10.551960     14.389745
  H       8.155218      9.871835     15.089422
  C       6.686429     11.425151     14.825100
  H       6.389905     11.431562     15.868720
  C       6.069584     12.284470     13.919074
  H       5.294617     12.965475     14.253626
  C       6.443822     12.275704     12.581712
  H       5.967766     12.948818     11.879136
  B       9.554891     10.999480      8.873668
  B      10.012340     12.530594      8.094824
  H       9.797754     13.578210      8.634892
  B      11.265002     11.406509      8.694112
  H      11.927048     11.676703      9.655999
  B      10.696808      9.735759      8.406733
  H      10.965271      8.854310      9.173663
  B       9.090151      9.817545      7.629886
  H       8.245498      8.998150      7.853159
  B       8.678648     11.543471      7.433370
  H       7.533204     11.926261      7.441308
  B       9.857557     12.288403      6.342526
  H       9.549146     13.187964      5.614329
  B       9.289460     10.616249      6.053964
  H       8.581882     10.346241      5.126178
  B      10.541689      9.500659      6.654510
  H      10.728568      8.430906      6.148246
  B      11.881009     10.477617      7.310888
  H      13.017091     10.098977      7.269246
  B      11.458495     12.197979      7.117571
  H      12.292382     13.039383      6.937272
  B      11.010653     11.022794      5.856209
  H      11.528800     11.032502      4.775987
  H       9.604287     10.622980     11.013734
  H       7.290273     11.961487      8.972875
39
Coordinates from ORCA-job JATMUN-r2scan-3c E -706.022524983324
  N       8.999180     11.004225     10.299278
  O       6.939143     11.912633      9.904962
  C       7.843072     11.426926     10.727307
  C       7.452478     11.405849     12.144088
  C       8.075560     10.545684     13.057634
  H       8.844739      9.849758     12.737173
  C       7.686686     10.552075     14.390157
  H       8.166318      9.877155     15.091496
  C       6.678900     11.412440     14.822795
  H       6.377488     11.413050     15.865703
  C       6.054756     12.265718     13.915967
  H       5.271189     12.938250     14.249756
  C       6.432257     12.261908     12.579534
  H       5.950884     12.930709     11.875460
  B       9.561402     11.014782      8.876367
  B      10.030579     12.539702      8.089312
  H       9.826123     13.590409      8.628668
  B      11.274969     11.406487      8.688519
  H      11.940478     11.673706      9.649786
  B      10.690900      9.738920      8.410596
  H      10.953361      8.859095      9.182309
  B       9.081991      9.831858      7.638871
  H       8.230031      9.021164      7.869391
  B       8.685631     11.561465      7.437882
  H       7.543867     11.956145      7.444388
  B       9.867197     12.291139      6.339023
  H       9.563252     13.189819      5.606839
  B       9.283147     10.622446      6.059808
  H       8.569651     10.355731      5.134807
  B      10.527519      9.498114      6.660362
  H      10.703166      8.424285      6.157274
  B      11.877905     10.466203      7.308036
  H      13.011069     10.077308      7.263747
  B      11.470078     12.189561      7.108499
  H      12.311503     13.022585      6.920173
  B      11.006970     11.012878      5.853945
  H      11.521423     11.013238      4.771234
  H       9.636591     10.701426     11.026583
  H       7.275349     11.929955      8.968672
39
Coordinates from ORCA-job JATMUN-r2scan-3c E -706.022564232979
  N       9.012386     11.035459     10.304863
  O       6.928569     11.882638      9.900013
  C       7.843174     11.426302     10.727329
  C       7.448858     11.400817     12.142627
  C       8.079052     10.545978     13.056296
  H       8.853414      9.855525     12.734046
  C       7.689379     10.549054     14.388609
  H       8.174313      9.877660     15.090786
  C       6.674042     11.400683     14.820464
  H       6.371639     11.398632     15.863833
  C       6.042313     12.247978     13.913219
  H       5.252193     12.913842     14.247222
  C       6.420446     12.247318     12.577060
  H       5.933076     12.911724     11.871818
  B       9.569215     11.032304      8.880120
  B      10.047787     12.549798      8.082607
  H       9.853792     13.604785      8.618311
  B      11.285167     11.409790      8.682781
  H      11.956046     11.676380      9.641171
  B      10.687042      9.745052      8.417179
  H      10.946137      8.867468      9.193164
  B       9.075541      9.846505      7.651471
  H       8.217663      9.043655      7.889621
  B       8.692475     11.578591      7.442955
  H       7.553817     11.983837      7.450305
  B       9.875051     12.292372      6.334516
  H       9.574853     13.188823      5.597350
  B       9.276560     10.626646      6.067595
  H       8.557298     10.360884      5.146202
  B      10.514476      9.495760      6.669151
  H      10.679528      8.417579      6.170753
  B      11.875098     10.456978      7.305964
  H      13.005388     10.058758      7.258908
  B      11.480267     12.182440      7.097836
  H      12.328234     13.007230      6.900115
  B      11.002381     11.002139      5.852344
  H      11.512485     10.992039      4.767116
  H       9.659083     10.763113     11.036248
  H       7.268560     11.908261      8.964431
39
Coordinates from ORCA-job JATMUN-r2scan-3c E -706.022600560250
  N       9.023954     11.074915     10.309775
  O       6.911419     11.842852      9.893012
  C       7.839030     11.423693     10.725412
  C       7.441917     11.391714     12.139316
  C       8.083010     10.544495     13.052491
  H       8.860853      9.858609     12.726972
  C       7.696406     10.545686     14.385785
  H       8.189385      9.879647     15.088170
  C       6.673865     11.387938     14.818579
  H       6.374887     11.385750     15.863415
  C       6.029623     12.225657     13.911090
  H       5.232409     12.883144     14.246235
  C       6.404573     12.226696     12.574152
  H       5.907576     12.883719     11.867898
  B       9.577311     11.056424      8.884054
  B      10.068687     12.563318      8.073189
  H       9.887827     13.623919      8.602345
  B      11.295954     11.415008      8.677316
  H      11.972693     11.681221      9.631955
  B      10.680448      9.754335      8.427282
  H      10.934383      8.879986      9.208662
  B       9.067003      9.866590      7.666857
  H       8.201544      9.074380      7.913628
  B       8.701390     11.601268      7.446543
  H       7.567124     12.020012      7.453696
  B       9.886724     12.293811      6.327659
  H       9.592837     13.186765      5.583586
  B       9.270058     10.632259      6.076519
  H       8.545063     10.367241      5.159244
  B      10.498680      9.493330      6.681887
  H      10.650653      8.409830      6.190650
  B      11.871246     10.445648      7.306450
  H      12.997302     10.035439      7.257925
  B      11.493485     12.173489      7.085958
  H      12.349768     12.987095      6.877578
  B      10.998649     10.988182      5.851917
  H      11.504580     10.964180      4.764809
  H       9.678240     10.833538     11.045404
  H       7.256244     11.883019      8.958985
39
Coordinates from ORCA-job JATMUN-r2scan-3c E -706.022627329101
  N       9.037888     11.122281     10.315836
  O       6.900011     11.809765      9.885308
  C       7.838276     11.427396     10.723529
  C       7.437156     11.385342     12.135617
  C       8.088025     10.543337     13.046552
  H       8.871306      9.865218     12.717408
  C       7.701249     10.537017     14.379903
  H       8.201330      9.874762     15.080836
  C       6.669270     11.366723     14.814295
  H       6.371491     11.360289     15.859447
  C       6.013837     12.197453     13.908148
  H       5.208091     12.843669     14.244703
  C       6.388861     12.205782     12.571328
  H       5.883484     12.857026     11.865520
  B       9.588607     11.086656      8.889645
  B      10.092280     12.579287      8.060359
  H       9.927301     13.647362      8.578829
  B      11.309242     11.423466      8.669947
  H      11.994707     11.691483      9.617694
  B      10.674528      9.767269      8.441385
  H      10.924446      8.897876      9.229158
  B       9.058179      9.889893      7.688629
  H       8.185119      9.110161      7.947249
  B       8.711277     11.626261      7.451444
  H       7.582374     12.059630      7.460766
  B       9.897728     12.292877      6.318346
  H       9.610042     13.180246      5.565565
  B       9.260919     10.635873      6.089033
  H       8.528686     10.369468      5.178162
  B      10.480143      9.489597      6.699560
  H      10.616917      8.399650      6.218722
  B      11.866448     10.433151      7.306857
  H      12.987292     10.009694      7.256295
  B      11.507090     12.162848      7.069535
  H      12.371809     12.963337      6.847048
  B      10.992075     10.969637      5.851379
  H      11.491757     10.928150      4.762084
  H       9.696665     10.907580     11.055843
  H       7.250895     11.867287      8.954434
39
Coordinates from ORCA-job JATMUN-r2scan-3c E -706.022640392611
  N       9.044203     11.145403     10.318676
  O       6.891659     11.782515      9.880666
  C       7.837077     11.425752     10.722040
  C       7.435812     11.381777     12.134004
  C       8.095856     10.548131     13.045813
  H       8.886150      9.878543     12.717041
  C       7.708577     10.538868     14.379081
  H       8.215438      9.883066     15.080678
  C       6.667111     11.357444     14.812033
  H       6.369545     11.349357     15.856863
  C       6.002352     12.179462     13.904584
  H       5.189124     12.816289     14.239891
  C       6.377714     12.190437     12.567840
  H       5.865442     12.834429     11.860770
  B       9.594511     11.102595      8.892329
  B      10.106694     12.587238      8.055187
  H       9.951703     13.658906      8.568578
  B      11.316309     11.425071      8.666971
  H      12.006652     11.692023      9.611169
  B      10.669063      9.772685      8.447443
  H      10.915087      8.904729      9.237590
  B       9.051756      9.904315      7.698422
  H       8.173423      9.132767      7.962688
  B       8.717388     11.642011      7.453771
  H       7.592444     12.085005      7.465043
  B       9.905684     12.294258      6.314590
  H       9.622874     13.180058      5.558536
  B       9.255760     10.641168      6.094717
  H       8.519422     10.376102      5.187099
  B      10.468083      9.488528      6.707089
  H      10.595143      8.395642      6.230955
  B      11.862824     10.424392      7.306777
  H      12.980045      9.992315      7.255233
  B      11.515832     12.155759      7.062615
  H      12.385990     12.948295      6.834393
  B      10.988857     10.960694      5.851126
  H      11.485375     10.910632      4.761015
  H       9.704967     10.946275     11.061331
  H       7.244855     11.851865      8.951753
39
Coordinates from ORCA-job JATMUN-r2scan-3c E -706.022649078045
  N       9.050296     11.155467     10.321444
  O       6.893603     11.776722      9.879558
  C       7.840565     11.428055     10.722473
  C       7.438019     11.382938     12.134345
  C       8.102811     10.555099     13.047890
  H       8.901047      9.894277     12.722100
  C       7.710936     10.541259     14.379806
  H       8.221374      9.890001     15.082432
  C       6.660013     11.349481     14.809538
  H       6.358698     11.337506     15.852832
  C       5.991159     12.166306     13.900374
  H       5.171055     12.795038     14.232934
  C       6.370977     12.181605     12.564840
  H       5.855612     12.821033     11.856443
  B       9.600727     11.111394      8.894791
  B      10.115620     12.590821      8.052651
  H       9.967656     13.665150      8.562102
  B      11.322350     11.425331      8.663842
  H      12.018198     11.692120      9.603757
  B      10.667749      9.775274      8.450017
  H      10.913123      8.907551      9.240342
  B       9.048918      9.912097      7.705723
  H       8.168076      9.145221      7.974578
  B       8.720878     11.650078      7.456929
  H       7.598496     12.098526      7.473443
  B       9.908339     12.294413      6.312822
  H       9.627272     13.179891      5.556019
  B       9.250829     10.643692      6.099035
  H       8.510653     10.378964      5.194689
  B      10.460305      9.487552      6.710524
  H      10.581047      8.392972      6.237155
  B      11.860658     10.418926      7.303799
  H      12.975702      9.982023      7.250113
  B      11.520077     12.151223      7.056716
  H      12.392669     12.939691      6.824710
  B      10.984730     10.955268      5.849480
  H      11.477807     10.900763      4.758216
  H       9.710186     10.958597     11.065446
  H       7.248569     11.852473      8.952492
39
Coordinates from ORCA-job JATMUN-r2scan-3c E -706.022652680188
  N       9.052603     11.163774     10.321991
  O       6.888655     11.759411      9.879239
  C       7.840225     11.425387     10.722616
  C       7.438840     11.381672     12.135112
  C       8.109501     10.560931     13.050765
  H       8.913768      9.906592     12.727117
  C       7.716394     10.546293     14.382320
  H       8.231360      9.900492     15.086571
  C       6.658256     11.346445     14.809468
  H       6.355461     11.333184     15.852239
  C       5.984055     12.156604     13.898319
  H       5.158768     12.779466     14.228900
  C       6.364994     12.172567     12.563067
  H       5.845614     12.806777     11.853032
  B       9.602622     11.117436      8.894944
  B      10.122535     12.593422      8.051065
  H       9.979445     13.669155      8.559007
  B      11.324981     11.423716      8.662880
  H      12.022771     11.688836      9.601857
  B      10.663629      9.776033      8.450761
  H      10.905704      8.908027      9.241809
  B       9.045068      9.918892      7.707278
  H       8.160974      9.156371      7.978102
  B       8.723851     11.657810      7.456578
  H       7.603806     12.111779      7.473932
  B       9.913332     12.296078      6.311409
  H       9.635400     13.182265      5.554223
  B       9.248997     10.647840      6.099604
  H       8.507017     10.385012      5.196145
  B      10.454158      9.487457      6.711558
  H      10.570032      8.391738      6.239563
  B      11.858558     10.413687      7.303191
  H      12.971850      9.972264      7.249547
  B      11.524743     12.147139      7.054808
  H      12.400306     12.932125      6.821977
  B      10.984134     10.952115      5.848762
  H      11.476457     10.894795      4.757285
  H       9.714896     10.979143     11.066967
  H       7.243038     11.842069      8.952390
39
Coordinates from ORCA-job JATMUN-r2scan-3c E -706.022655083637
  N       9.053537     11.162619     10.322186
  O       6.890404     11.760641      9.879881
  C       7.841692     11.425881     10.723278
  C       7.439718     11.382248     12.135680
  C       8.111469     10.563622     13.052466
  H       8.918196      9.911381     12.730398
  C       7.716998     10.548511     14.383585
  H       8.233036      9.904313     15.088705
  C       6.656297     11.345989     14.809323
  H       6.351985     11.331811     15.851772
  C       5.981343     12.154410     13.897262
  H       5.154261     12.775688     14.226770
  C       6.363703     12.170901     12.562421
  H       5.843643     12.803964     11.851735
  B       9.603397     11.117272      8.895064
  B      10.123373     12.592904      8.051559
  H       9.981284     13.669032      8.559257
  B      11.325707     11.422510      8.662557
  H      12.024655     11.687368      9.600879
  B      10.663375      9.775225      8.449882
  H      10.905175      8.906586      9.240494
  B       9.044735      9.919191      7.707072
  H       8.160236      9.157118      7.978367
  B       8.724027     11.658189      7.456912
  H       7.604341     12.113126      7.475952
  B       9.913464     12.296362      6.311741
  H       9.635698     13.183492      5.555400
  B       9.248326     10.648537      6.099458
  H       8.505637     10.386080      5.196316
  B      10.453161      9.487424      6.710613
  H      10.568285      8.391554      6.238481
  B      11.858234     10.412702      7.301995
  H      12.971456      9.970811      7.247985
  B      11.525042     12.146358      7.054519
  H      12.400784     12.931455      6.822060
  B      10.983581     10.952126      5.848075
  H      11.475559     10.895193      4.756304
  H       9.716338     10.979631     11.067130
  H       7.244647     11.842574      8.952864
39
Coordinates from ORCA-job JATMUN-r2scan-3c E -706.022656149956
  N       9.054414     11.165136     10.322396
  O       6.890514     11.759547      9.879544
  C       7.842137     11.426505     10.723357
  C       7.439519     11.381944     12.135423
  C       8.113333     10.565533     13.052670
  H       8.921925      9.915108     12.731092
  C       7.718615     10.549731     14.383694
  H       8.236409      9.907129     15.089218
  C       6.655661     11.344392     14.808991
  H       6.351036     11.329561     15.851506
  C       5.978691     12.150657     13.896536
  H       5.149758     12.769916     14.225710
  C       6.361367     12.167871     12.561818
  H       5.839615     12.799440     11.850849
  B       9.604122     11.119120      8.895366
  B      10.125350     12.593464      8.051112
  H       9.985006     13.670412      8.557743
  B      11.326666     11.422007      8.662263
  H      12.026787     11.686826      9.599824
  B      10.662286      9.775404      8.450357
  H      10.903144      8.906652      9.241241
  B       9.043711      9.920979      7.707989
  H       8.158295      9.160189      7.980268
  B       8.724726     11.660126      7.457044
  H       7.605745     12.117013      7.477153
  B       9.914625     12.296448      6.311377
  H       9.637689     13.184041      5.555137
  B       9.247567     10.649326      6.099947
  H       8.504105     10.387067      5.197271
  B      10.451241      9.487154      6.711293
  H      10.564894      8.390718      6.239898
  B      11.857557     10.411011      7.301774
  H      12.970390      9.967900      7.247829
  B      11.526202     12.144854      7.053720
  H      12.402673     12.929176      6.820926
  B      10.983118     10.950838      5.847879
  H      11.474754     10.893046      4.755918
  H       9.718162     10.986401     11.067595
  H       7.244990     11.842159      8.952671
