39
Coordinates from ORCA-job JATMUN-B3LYP+D4 E -706.448667035877
  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-B3LYP+D4 E -706.521359542183
  N       9.226033     11.216963     10.409272
  O       7.432654     12.575073     10.099282
  C       8.167047     11.806099     10.871470
  C       7.629251     11.611680     12.227004
  C       8.078814     10.566693     13.034050
  H       8.880156     10.017602     12.753461
  C       7.425809     10.278599     14.227234
  H       7.747611      9.515320     14.805885
  C       6.338205     11.036521     14.618253
  H       5.854055     10.816874     15.477395
  C       5.910105     12.101153     13.835021
  H       5.125597     12.661731     14.136739
  C       6.546320     12.398924     12.642703
  H       6.232347     13.175271     12.078887
  B       9.703390     11.140150      8.955964
  B      10.053288     12.584890      7.985963
  H       9.903870     13.643148      8.388658
  B      11.379743     11.534742      8.556135
  H      12.130111     11.891933      9.340560
  B      10.807349      9.841772      8.503704
  H      11.171594      9.061602      9.254752
  B       9.128885      9.833362      7.887630
  H       8.365945      9.055478      8.225717
  B       8.673692     11.524837      7.560620
  H       7.591472     11.878645      7.679500
  B       9.720211     12.166058      6.284609
  H       9.351682     12.949332      5.539937
  B       9.155732     10.468274      6.221033
  H       8.414154     10.111401      5.430912
  B      10.475749      9.425506      6.802512
  H      10.619794      8.364949      6.403567
  B      11.861178     10.474546      7.221012
  H      12.938677     10.115326      7.103757
  B      11.397231     12.166157      6.894424
  H      12.160587     12.946454      6.555179
  B      10.839370     10.866048      5.816212
  H      11.232072     10.774173      4.746916
  H       9.772224     10.748316     11.093138
  H       7.774795     12.439199      9.087332
39
Coordinates from ORCA-job JATMUN-B3LYP+D4 E -706.553495069652
  N       9.183548     11.205914     10.385035
  O       7.371436     12.549846     10.074849
  C       8.118413     11.791147     10.844612
  C       7.605601     11.602849     12.211225
  C       8.084577     10.571388     13.022294
  H       8.911936      9.995317     12.718481
  C       7.469536     10.299050     14.237074
  H       7.828386      9.514606     14.840577
  C       6.383708     11.059350     14.650791
  H       5.907272     10.842380     15.564405
  C       5.924584     12.108863     13.860568
  H       5.112217     12.694302     14.185863
  C       6.528410     12.386314     12.644514
  H       6.180719     13.181662     12.051414
  B       9.682835     11.133748      8.941504
  B      10.054307     12.580816      7.984793
  H       9.897334     13.663587      8.402081
  B      11.365659     11.523820      8.571922
  H      12.120870     11.883151      9.392444
  B      10.788692      9.834885      8.502026
  H      11.145333      9.031112      9.276477
  B       9.121707      9.836464      7.860269
  H       8.330062      9.041481      8.193139
  B       8.679153     11.530184      7.533638
  H       7.566630     11.898697      7.637700
  B       9.747775     12.171858      6.278544
  H       9.384889     12.980262      5.512891
  B       9.177346     10.478497      6.198781
  H       8.426272     10.120191      5.375620
  B      10.483153      9.428480      6.795667
  H      10.632926      8.341930      6.384457
  B      11.864567     10.468345      7.239928
  H      12.970309     10.095852      7.135903
  B      11.412769     12.161869      6.914634
  H      12.203682     12.961208      6.585188
  B      10.868025     10.870270      5.821966
  H      11.286677     10.779078      4.731132
  H       9.733425     10.728208     11.078051
  H       7.662059     12.437821      9.115941
39
Coordinates from ORCA-job JATMUN-B3LYP+D4 E -706.560202983947
  N       9.103823     11.142582     10.344247
  O       7.267111     12.451710     10.032567
  C       8.027715     11.705872     10.801884
  C       7.548466     11.545431     12.183918
  C       8.068870     10.554215     13.021719
  H       8.882498      9.930086     12.696474
  C       7.533376     10.360122     14.285589
  H       7.933980      9.589804     14.921370
  C       6.479101     11.154340     14.725550
  H       6.055026     10.993428     15.701921
  C       5.970321     12.154638     13.903089
  H       5.163148     12.777258     14.248465
  C       6.497250     12.350543     12.635827
  H       6.104962     13.125542     12.003560
  B       9.641223     11.101833      8.914638
  B      10.040431     12.567175      8.001331
  H       9.864581     13.654686      8.447105
  B      11.332289     11.499558      8.605973
  H      12.067561     11.845691      9.473986
  B      10.760703      9.814757      8.482124
  H      11.095942      8.985426      9.266149
  B       9.115571      9.830533      7.792883
  H       8.301718      9.019684      8.095326
  B       8.682230     11.529149      7.488814
  H       7.549198     11.902200      7.564578
  B       9.786898     12.195100      6.281390
  H       9.440504     13.032008      5.511484
  B       9.219660     10.506620      6.150279
  H       8.479093     10.162075      5.286981
  B      10.507431      9.445389      6.762187
  H      10.672543      8.351043      6.327608
  B      11.872363     10.473413      7.267479
  H      12.997945     10.097652      7.188144
  B      11.429305     12.171117      6.966159
  H      12.240684     12.990520      6.676014
  B      10.919714     10.904450      5.830735
  H      11.376235     10.834672      4.734474
  H       9.652349     10.655389     11.037568
  H       7.534984     12.379087      9.096811
39
Coordinates from ORCA-job JATMUN-B3LYP+D4 E -706.561330306396
  N       9.050130     11.078973     10.319585
  O       7.178276     12.323488      9.985124
  C       7.959966     11.617091     10.769230
  C       7.502226     11.489949     12.160757
  C       8.064810     10.549051     13.029080
  H       8.860104      9.893120     12.700549
  C       7.594724     10.432034     14.327047
  H       8.031461      9.696370     14.989999
  C       6.561393     11.251104     14.772198
  H       6.190238     11.152349     15.784662
  C       6.001236     12.191878     13.914773
  H       5.201159     12.833551     14.261095
  C       6.463627     12.309794     12.613038
  H       6.028957     13.042714     11.948788
  B       9.612105     11.069203      8.900363
  B      10.033517     12.554376      8.032567
  H       9.847727     13.633035      8.507147
  B      11.308906     11.469087      8.637475
  H      12.024534     11.791787      9.536662
  B      10.737077      9.790937      8.459531
  H      11.051581      8.941162      9.237390
  B       9.107283      9.829146      7.739324
  H       8.281183      9.013453      8.012495
  B       8.684274     11.535388      7.469073
  H       7.545884     11.912367      7.528707
  B       9.814696     12.225928      6.301333
  H       9.483681     13.085973      5.543036
  B       9.245300     10.544709      6.118223
  H       8.515391     10.223673      5.230550
  B      10.518140      9.465407      6.728280
  H      10.689912      8.376879      6.269537
  B      11.874114     10.475206      7.284869
  H      13.004680     10.096805      7.219267
  B      11.441247     12.179627      7.017931
  H      12.263205     13.007462      6.765207
  B      10.952231     10.943767      5.841143
  H      11.431526     10.899219      4.748311
  H       9.602560     10.595818     11.013807
  H       7.457739     12.262921      9.038245
39
Coordinates from ORCA-job JATMUN-B3LYP+D4 E -706.561782131071
  N       8.995488     11.012724     10.295033
  O       7.070536     12.164488      9.940608
  C       7.887958     11.519430     10.738094
  C       7.462195     11.436912     12.142150
  C       8.081828     10.563861     13.041804
  H       8.868422      9.891561     12.719540
  C       7.674439     10.524267     14.365146
  H       8.156427      9.839661     15.053552
  C       6.647671     11.353829     14.805750
  H       6.331468     11.320836     15.842608
  C       6.023408     12.219297     13.914814
  H       5.222470     12.866013     14.254566
  C       6.423586     12.259388     12.587880
  H       5.938561     12.934793     11.895572
  B       9.579450     11.034058      8.885291
  B      10.031017     12.539713      8.070543
  H       9.838857     13.603435      8.576737
  B      11.283550     11.427533      8.672539
  H      11.975190     11.717322      9.602043
  B      10.704559      9.760648      8.432172
  H      10.990694      8.889229      9.198000
  B       9.092151      9.833198      7.679014
  H       8.252305      9.019711      7.917773
  B       8.687928     11.549680      7.449703
  H       7.549494     11.935410      7.489912
  B       9.849134     12.263222      6.328013
  H       9.539793     13.147761      5.587967
  B       9.270666     10.593872      6.084446
  H       8.554533     10.305636      5.173631
  B      10.522067      9.487562      6.689606
  H      10.695936      8.410257      6.204139
  B      11.872059     10.468919      7.303947
  H      13.001696     10.083489      7.252820
  B      11.457493     12.182599      7.078537
  H      12.290991     13.011913      6.869189
  B      10.986212     10.985918      5.854967
  H      11.488688     10.969084      4.771214
  H       9.560890     10.549488     10.992185
  H       7.356989     12.108081      8.994894
39
Coordinates from ORCA-job JATMUN-B3LYP+D4 E -706.561973294293
  N       8.973123     10.986637     10.284639
  O       7.029900     12.108267      9.930297
  C       7.861030     11.483470     10.728498
  C       7.451980     11.420298     12.138606
  C       8.087078     10.566276     13.045508
  H       8.866647      9.886710     12.725027
  C       7.700292     10.552457     14.375736
  H       8.193369      9.882982     15.069207
  C       6.679691     11.389710     14.816043
  H       6.383035     11.379617     15.857840
  C       6.038041     12.233993     13.917268
  H       5.240918     12.884274     14.255160
  C       6.417242     12.247955     12.583554
  H       5.919253     12.905776     11.885399
  B       9.562277     11.018081      8.876926
  B      10.022101     12.532101      8.082570
  H       9.821855     13.587221      8.600587
  B      11.268077     11.413242      8.686510
  H      11.944466     11.691756      9.629094
  B      10.692062      9.748925      8.421412
  H      10.966280      8.872720      9.184231
  B       9.087995      9.829800      7.652426
  H       8.245525      9.016966      7.878336
  B       8.685989     11.548691      7.437482
  H       7.547574     11.934097      7.463918
  B       9.859209     12.273787      6.336159
  H       9.556722     13.164870      5.603162
  B       9.283271     10.607177      6.068917
  H       8.575808     10.329709      5.149587
  B      10.528604      9.494676      6.675112
  H      10.707580      8.423362      6.181213
  B      11.871620     10.469183      7.313908
  H      13.000686     10.084936      7.271156
  B      11.458892     12.184929      7.103187
  H      12.293367     13.015977      6.912024
  B      11.001182     11.001445      5.861038
  H      11.514245     10.996299      4.783573
  H       9.547693     10.536782     10.982720
  H       7.332122     12.079647      8.988371
39
Coordinates from ORCA-job JATMUN-B3LYP+D4 E -706.562095952646
  N       8.970714     10.969880     10.283125
  O       6.997680     12.031893      9.913960
  C       7.850467     11.451572     10.722862
  C       7.452175     11.411018     12.137142
  C       8.099003     10.577521     13.054353
  H       8.882412      9.901879     12.741970
  C       7.718169     10.581907     14.386627
  H       8.219307      9.929722     15.087291
  C       6.691776     11.416883     14.817917
  H       6.401585     11.421957     15.859229
  C       6.038410     12.240598     13.908386
  H       5.238402     12.887829     14.238070
  C       6.411348     12.236255     12.572731
  H       5.906245     12.877289     11.867431
  B       9.555945     11.004931      8.874614
  B      10.023420     12.526231      8.097819
  H       9.821638     13.572344      8.629822
  B      11.263665     11.396404      8.694517
  H      11.930963     11.660792      9.645714
  B      10.683394      9.736178      8.408736
  H      10.947531      8.855150      9.167062
  B       9.082308      9.830651      7.635309
  H       8.236385      9.021748      7.854814
  B       8.686219     11.553692      7.438917
  H       7.550303     11.942555      7.460278
  B       9.865752     12.286708      6.349124
  H       9.567255     13.184795      5.625697
  B       9.285237     10.624504      6.062158
  H       8.579101     10.360635      5.139857
  B      10.525643      9.501568      6.660040
  H      10.702782      8.436211      6.156440
  B      11.869484     10.464954      7.313773
  H      12.996070     10.078507      7.271190
  B      11.462318     12.184208      7.120812
  H      12.298747     13.013808      6.941484
  B      11.005347     11.015536      5.863323
  H      11.520937     11.020566      4.788919
  H       9.562415     10.551241     10.986039
  H       7.316248     12.024681      8.978848
39
Coordinates from ORCA-job JATMUN-B3LYP+D4 E -706.562146141145
  N       8.972387     10.978047     10.283865
  O       6.980530     12.007776      9.912653
  C       7.846829     11.448937     10.722671
  C       7.453946     11.413164     12.138421
  C       8.103833     10.581397     13.054782
  H       8.891357      9.911498     12.741649
  C       7.721985     10.582780     14.386848
  H       8.224738      9.931851     15.086919
  C       6.691852     11.413262     14.818214
  H       6.399790     11.414704     15.858588
  C       6.037474     12.237405     13.909579
  H       5.236156     12.882216     14.239592
  C       6.411060     12.235841     12.574074
  H       5.906040     12.877333     11.869655
  B       9.554280     11.007238      8.873335
  B      10.026775     12.527902      8.096491
  H       9.825661     13.573329      8.630107
  B      11.263574     11.394667      8.694778
  H      11.927895     11.656671      9.648725
  B      10.679412      9.735201      8.408467
  H      10.938821      8.854990      9.169269
  B       9.079248      9.833543      7.633142
  H       8.230612      9.027766      7.853630
  B       8.687651     11.558154      7.436802
  H       7.553372     11.950154      7.453754
  B       9.870400     12.288104      6.347931
  H       9.574172     13.186316      5.623792
  B       9.286048     10.626852      6.060651
  H       8.579850     10.365238      5.137828
  B      10.523206      9.500847      6.659943
  H      10.698282      8.435015      6.156756
  B      11.868805     10.461278      7.315096
  H      12.994488     10.072280      7.273916
  B      11.465905     12.181685      7.121427
  H      12.304608     13.009054      6.942413
  B      11.007409     11.013740      5.863321
  H      11.524053     11.017358      4.789503
  H       9.575090     10.582530     10.990927
  H       7.299200     12.008680      8.976883
39
Coordinates from ORCA-job JATMUN-B3LYP+D4 E -706.562208624076
  N       8.986673     11.000718     10.289996
  O       6.966615     11.972328      9.909088
  C       7.849661     11.447617     10.724182
  C       7.457946     11.415862     12.140251
  C       8.105044     10.580691     13.055271
  H       8.897023      9.916461     12.741007
  C       7.715737     10.574308     14.385246
  H       8.215148      9.919996     15.084762
  C       6.681617     11.400749     14.814997
  H       6.380963     11.393271     15.853013
  C       6.033340     12.231766     13.907985
  H       5.231119     12.875788     14.237889
  C       6.413563     12.237477     12.574385
  H       5.913974     12.884674     11.871012
  B       9.559412     11.016136      8.875404
  B      10.036424     12.533770      8.092053
  H       9.839440     13.580230      8.626348
  B      11.270517     11.396788      8.689842
  H      11.935586     11.657790      9.644269
  B      10.678718      9.737646      8.410777
  H      10.935126      8.860301      9.176551
  B       9.076156      9.839860      7.639944
  H       8.224086      9.038996      7.867562
  B       8.690787     11.566552      7.440994
  H       7.558630     11.963960      7.456739
  B       9.873122     12.288447      6.345216
  H       9.576898     13.184986      5.618205
  B       9.281271     10.627870      6.065286
  H       8.570519     10.367159      5.145111
  B      10.516185      9.498619      6.663895
  H      10.685509      8.430251      6.163072
  B      11.867867     10.456313      7.311923
  H      12.992406     10.062936      7.268319
  B      11.470961     12.178033      7.113748
  H      12.312982     13.001320      6.928147
  B      11.003541     11.007542      5.860766
  H      11.516789     11.005694      4.784827
  H       9.607682     10.648800     11.004404
  H       7.287763     11.983094      8.973916
39
Coordinates from ORCA-job JATMUN-B3LYP+D4 E -706.562241095469
  N       8.994222     11.021285     10.293381
  O       6.952851     11.944651      9.904469
  C       7.846998     11.445485     10.723198
  C       7.454652     11.412697     12.138823
  C       8.105146     10.578728     13.052375
  H       8.898724      9.917090     12.734803
  C       7.717235     10.570738     14.382797
  H       8.219237      9.917158     15.082032
  C       6.681183     11.394044     14.813674
  H       6.380562     11.384533     15.852285
  C       6.029717     12.223929     13.907815
  H       5.226122     12.866324     14.239445
  C       6.408376     12.231231     12.573825
  H       5.906315     12.877829     11.870731
  B       9.562827     11.026468      8.877075
  B      10.046272     12.540092      8.087931
  H       9.854389     13.588560      8.621017
  B      11.275731     11.398917      8.687182
  H      11.942096     11.659079      9.641560
  B      10.675805      9.741159      8.414864
  H      10.928893      8.865675      9.184438
  B       9.072246      9.848333      7.646338
  H       8.216244      9.052409      7.878533
  B       8.694776     11.576776      7.443165
  H       7.564407     11.980410      7.457675
  B       9.878652     12.289425      6.342494
  H       9.584810     13.184568      5.612110
  B       9.278523     10.630465      6.069331
  H       8.564853     10.370664      5.150603
  B      10.509202      9.497292      6.669330
  H      10.672685      8.426301      6.171211
  B      11.866475     10.451032      7.312059
  H      12.989542     10.052288      7.267679
  B      11.477332     12.174040      7.108512
  H      12.323508     12.992490      6.917794
  B      11.002084     11.001412      5.860474
  H      11.513614     10.993507      4.783281
  H       9.624934     10.697085     11.012657
  H       7.275560     11.960630      8.969433
39
Coordinates from ORCA-job JATMUN-B3LYP+D4 E -706.562268864682
  N       9.003890     11.046525     10.297643
  O       6.942816     11.919907      9.898631
  C       7.845214     11.444200     10.721837
  C       7.449646     11.407174     12.136243
  C       8.106242     10.577412     13.049203
  H       8.901773      9.918930     12.728327
  C       7.720162     10.568189     14.380211
  H       8.226735      9.917579     15.079724
  C       6.680205     11.386046     14.811584
  H       6.381204     11.376284     15.851217
  C       6.021681     12.210470     13.905765
  H       5.214131     12.848196     14.238462
  C       6.398440     12.218995     12.571308
  H       5.890495     12.861142     11.867484
  B       9.568983     11.040907      8.880262
  B      10.059896     12.548352      8.082788
  H       9.876280     13.600046      8.612649
  B      11.283570     11.401979      8.683230
  H      11.953935     11.661629      9.635265
  B      10.672723      9.746577      8.420935
  H      10.923169      8.873162      9.193893
  B       9.067329      9.860294      7.656985
  H       8.206832      9.070776      7.895037
  B       8.700299     11.590481      7.447377
  H       7.572302     12.002195      7.462899
  B       9.885032     12.290381      6.339234
  H       9.594335     13.183386      5.604713
  B       9.273620     10.633943      6.076074
  H       8.555807     10.374814      5.160138
  B      10.498995      9.495770      6.677210
  H      10.654098      8.421555      6.182961
  B      11.864159     10.444077      7.311435
  H      12.984752     10.038101      7.265088
  B      11.485372     12.168586      7.100645
  H      12.336627     12.980203      6.902548
  B      10.998596     10.992995      5.860097
  H      11.506762     10.976723      4.781188
  H       9.640757     10.744015     11.021135
  H       7.269938     11.942801      8.964974
39
Coordinates from ORCA-job JATMUN-B3LYP+D4 E -706.562286726157
  N       9.010980     11.068301     10.300529
  O       6.931562     11.893132      9.893516
  C       7.842220     11.440507     10.720321
  C       7.445256     11.400616     12.134198
  C       8.111608     10.580411     13.048791
  H       8.911302      9.927287     12.727002
  C       7.727893     10.572038     14.380527
  H       8.241793      9.928716     15.081592
  C       6.680722     11.381160     14.810612
  H       6.384571     11.373498     15.851195
  C       6.011133     12.194350     13.902702
  H       5.196964     12.824151     14.234627
  C       6.385551     12.201977     12.567606
  H       5.868924     12.835106     11.861703
  B       9.574101     11.054654      8.882603
  B      10.073994     12.555854      8.078771
  H       9.899444     13.610373      8.605604
  B      11.290359     11.402741      8.680353
  H      11.964550     11.660436      9.630112
  B      10.667528      9.750840      8.425695
  H      10.914195      8.878389      9.200657
  B       9.061159      9.873447      7.665195
  H       8.195543      9.091085      7.907458
  B       8.706303     11.605554      7.450123
  H       7.581392     12.026235      7.466397
  B       9.893276     12.292710      6.336551
  H       9.607356     13.184493      5.598926
  B       9.269358     10.639877      6.081135
  H       8.548109     10.382871      5.167466
  B      10.487875      9.495095      6.683288
  H      10.633965      8.418338      6.192171
  B      11.861090     10.435883      7.311147
  H      12.978508     10.021787      7.263422
  B      11.494338     12.162326      7.094791
  H      12.351194     12.966433      6.891308
  B      10.996180     10.985643      5.859964
  H      11.501699     10.961778      4.780082
  H       9.651764     10.780828     11.026689
  H       7.263042     11.925883      8.961574
39
Coordinates from ORCA-job JATMUN-B3LYP+D4 E -706.562299197789
  N       9.020799     11.093943     10.304450
  O       6.924146     11.869920      9.889588
  C       7.842642     11.440484     10.720067
  C       7.443870     11.396606     12.133301
  C       8.119365     10.585957     13.049773
  H       8.926471      9.941921     12.728779
  C       7.733975     10.574389     14.381009
  H       8.254587      9.938376     15.083492
  C       6.676048     11.370764     14.808499
  H       6.379310     11.361619     15.848704
  C       5.996728     12.173536     13.898481
  H       5.173761     12.792452     14.228500
  C       6.372841     12.184261     12.563881
  H       5.848915     12.809046     11.856162
  B       9.581362     11.071298      8.885713
  B      10.090097     12.564417      8.072927
  H       9.926561     13.622806      8.594875
  B      11.298971     11.404451      8.675803
  H      11.978947     11.661035      9.621497
  B      10.662581      9.756384      8.431669
  H      10.906061      8.885446      9.208900
  B       9.054497      9.888317      7.676378
  H       8.183516      9.114220      7.924690
  B       8.712959     11.622090      7.453610
  H       7.591919     12.052732      7.472020
  B       9.901210     12.294005      6.332406
  H       9.620028     13.183824      5.590993
  B       9.263192     10.645066      6.087682
  H       8.537346     10.389371      5.177586
  B      10.474645      9.493539      6.690967
  H      10.610159      8.413611      6.204372
  B      11.857356     10.426403      7.309612
  H      12.971023     10.003223      7.259768
  B      11.503760     12.154768      7.085893
  H      12.366460     12.950331      6.875160
  B      10.991832     10.975819      5.858876
  H      11.493308     10.942620      4.777585
  H       9.665172     10.820420     11.032793
  H       7.260382     11.915331      8.959939
39
Coordinates from ORCA-job JATMUN-B3LYP+D4 E -706.562305682936
  N       9.029001     11.116450     10.307612
  O       6.916387     11.844981      9.886613
  C       7.843126     11.439702     10.720131
  C       7.443914     11.393817     12.133131
  C       8.128434     10.593412     13.051874
  H       8.944468      9.959950     12.733042
  C       7.740650     10.578399     14.382373
  H       8.268063      9.950263     15.086541
  C       6.671219     11.361033     14.806737
  H       6.372667     11.349262     15.846172
  C       5.983010     12.153603     13.894408
  H       5.151252     12.761579     14.222013
  C       6.361513     12.167620     12.560495
  H       5.831095     12.784437     11.850922
  B       9.587408     11.086180      8.888056
  B      10.104903     12.571810      8.067866
  H       9.951657     13.633686      8.585563
  B      11.306284     11.404910      8.672095
  H      11.991317     11.659926      9.614470
  B      10.656949      9.760778      8.436448
  H      10.896633      8.890774      9.215685
  B       9.047774      9.902322      7.685249
  H       8.171353      9.136269      7.938833
  B       8.719141     11.637685      7.455896
  H       7.602081     12.078079      7.475937
  B       9.909222     12.295630      6.328658
  H       9.632928     13.184285      5.584192
  B       9.257801     10.650693      6.092690
  H       8.527800     10.396787      5.185556
  B      10.462107      9.492316      6.697109
  H      10.587694      8.409549      6.214449
  B      11.853550     10.417008      7.308309
  H      12.963681      9.985103      7.257005
  B      11.512670     12.147291      7.078557
  H      12.381013     12.934984      6.862162
  B      10.988320     10.967111      5.857775
  H      11.486514     10.925767      4.775349
  H       9.677869     10.858924     11.037799
  H       7.255334     11.902424      8.958628
39
Coordinates from ORCA-job JATMUN-B3LYP+D4 E -706.562309327691
  N       9.035590     11.129664     10.310305
  O       6.916447     11.836931      9.885712
  C       7.846300     11.442392     10.721073
  C       7.445590     11.394359     12.133531
  C       8.134020     10.598901     13.053573
  H       8.956875      9.973228     12.737247
  C       7.742225     10.579191     14.382826
  H       8.272722      9.954842     15.087874
  C       6.664754     11.352162     14.804698
  H       6.362665     11.336101     15.842931
  C       5.973174     12.140451     13.891186
  H       5.135560     12.741235     14.216789
  C       6.355686     12.159044     12.558459
  H       5.822807     12.772521     11.848015
  B       9.592582     11.095443      8.890164
  B      10.113774     12.576012      8.064379
  H       9.967284     13.640623      8.578477
  B      11.311739     11.405726      8.668907
  H      12.001363     11.660795      9.607950
  B      10.654893      9.763742      8.439603
  H      10.893491      8.894352      9.219872
  B       9.044416      9.910288      7.692293
  H       8.165180      9.148860      7.950198
  B       8.722633     11.646154      7.458271
  H       7.607993     12.092228      7.481148
  B       9.912472     12.295610      6.326108
  H       9.638186     13.183478      5.579917
  B       9.253367     10.652814      6.096690
  H       8.519987     10.399039      5.192221
  B      10.454352      9.491043      6.701271
  H      10.573821      8.406261      6.221550
  B      11.851304     10.411463      7.306233
  H      12.959455      9.974621      7.253347
  B      11.517222     12.142653      7.072480
  H      12.388399     12.926059      6.851836
  B      10.984738     10.961087      5.856357
  H      11.479978     10.914641      4.772753
  H       9.686772     10.880355     11.041311
  H       7.256985     11.900432      8.958845
39
Coordinates from ORCA-job JATMUN-B3LYP+D4 E -706.562311422664
  N       9.038037     11.135764     10.311292
  O       6.914209     11.828162      9.885121
  C       7.846825     11.442061     10.721332
  C       7.446033     11.394080     12.133730
  C       8.138172     10.603287     13.054909
  H       8.965491      9.982549     12.740447
  C       7.745073     10.581979     14.383774
  H       8.278602      9.961164     15.089694
  C       6.662558     11.348710     14.804148
  H       6.359068     11.330765     15.841963
  C       5.967682     12.132865     13.889570
  H       5.126425     12.729289     14.213904
  C       6.351471     12.152948     12.557232
  H       5.816024     12.763246     11.845963
  B       9.594596     11.100070      8.890846
  B      10.118821     12.577932      8.063095
  H       9.976229     13.643950      8.575599
  B      11.314128     11.404954      8.667906
  H      12.005857     11.659405      9.605676
  B      10.652538      9.764564      8.440584
  H      10.889396      8.894993      9.221299
  B       9.041943      9.915067      7.694544
  H       8.160548      9.156630      7.954357
  B       8.724722     11.651408      7.458727
  H       7.611715     12.101434      7.482823
  B       9.915427     12.296330      6.325040
  H       9.642982     13.184583      5.578483
  B       9.251524     10.655143      6.097831
  H       8.516440     10.402179      5.194404
  B      10.449851      9.490673      6.702571
  H      10.565737      8.404847      6.224137
  B      11.849858     10.407732      7.305412
  H      12.956851      9.967756      7.252250
  B      11.520316     12.139648      7.070384
  H      12.393440     12.920710      6.848623
  B      10.983692     10.958327      5.855657
  H      11.477939     10.909596      4.771616
  H       9.691684     10.894785     11.042920
  H       7.254894     11.895214      8.958537
39
Coordinates from ORCA-job JATMUN-B3LYP+D4 E -706.562312456543
  N       9.038048     11.134578     10.311384
  O       6.915133     11.829674      9.885286
  C       7.847297     11.442517     10.721489
  C       7.446107     11.394554     12.133771
  C       8.138670     10.604372     13.055113
  H       8.966783      9.984247     12.741320
  C       7.745251     10.582684     14.383910
  H       8.279288      9.962301     15.089954
  C       6.661997     11.348440     14.804085
  H       6.358099     11.329911     15.841856
  C       5.966811     12.132146     13.889355
  H       5.125016     12.728115     14.213422
  C       6.350930     12.152611     12.557133
  H       5.815076     12.762583     11.845781
  B       9.594848     11.099887      8.890965
  B      10.118846     12.577495      8.063383
  H       9.976721     13.643867      8.575432
  B      11.314310     11.404433      8.667968
  H      12.006669     11.659134      9.605266
  B      10.652509      9.764163      8.440223
  H      10.889207      8.894260      9.220708
  B       9.041989      9.914973      7.694374
  H       8.160482      9.156681      7.954550
  B       8.724654     11.651185      7.458739
  H       7.611836     12.101737      7.483819
  B       9.915352     12.296265      6.325183
  H       9.642889     13.185126      5.579255
  B       9.251349     10.655174      6.097665
  H       8.515871     10.402109      5.194510
  B      10.449706      9.490597      6.702159
  H      10.565410      8.404617      6.223884
  B      11.849832     10.407389      7.304927
  H      12.956888      9.967394      7.251851
  B      11.520266     12.139296      7.070382
  H      12.393263     12.920737      6.849087
  B      10.983611     10.958322      5.855310
  H      11.477774     10.909903      4.771168
  H       9.692241     10.895250     11.043079
  H       7.255770     11.896073      8.958653
