54
Coordinates from ORCA-job OWUKID-B3LYP+D4 E -1941.496828568495
  O       2.216800      2.708900      4.005000
  O       0.265500      1.741500      4.103800
  O       4.167500      8.720700      3.556500
  O       2.970100     10.495100      3.170900
  N       0.701800      5.397900      6.509600
  N       1.442500      4.597300      5.709900
  N       1.048500      2.641000      4.412900
  N       1.479300      7.819700      6.331800
  N       2.517400      7.921400      5.472000
  N       3.198200      9.451800      3.781800
  C       0.573300      3.671300      5.297700
  C      -0.708000      3.829100      5.809500
  H      -1.477700      3.291100      5.666000
  C      -0.578800      4.961700      6.576200
  H      -1.275900      5.373000      7.073500
  C       2.272800      9.055100      4.813600
  C       1.112400      9.706800      5.217500
  H       0.743400     10.522100      4.898500
  C       0.638500      8.870700      6.193600
  H      -0.156600      9.007600      6.695300
  B       1.287700      6.610700      7.297100
  Li      3.488400      4.187800      5.083700
  O       3.488500      5.626100      3.632000
  H       0.575300      6.900900      7.989900
  H       2.195400      6.349600      7.738700
  H       2.794700      5.780500      3.296000
  H       4.078400      5.457500      3.034800
  O       5.646400      8.428800      6.043900
  O       7.597800      9.396200      5.945100
  O       3.695700      2.417000      6.492400
  O       4.893100      0.642600      6.878000
  N       7.161500      5.739800      3.539300
  N       6.420700      6.540400      4.339000
  N       6.814700      8.496700      5.636000
  N       6.383900      3.318000      3.717100
  N       5.345800      3.216300      4.576900
  N       4.665000      1.685900      6.267100
  C       7.289900      7.466400      4.751200
  C       8.571200      7.308600      4.239400
  H       9.340900      7.846600      4.382900
  C       8.442000      6.176000      3.472700
  H       9.139100      5.764700      2.975500
  C       5.590400      2.082600      5.235300
  C       6.750800      1.430900      4.831400
  H       7.119800      0.615600      5.150400
  C       7.224800      2.267000      3.855300
  H       8.019800      2.130100      3.353600
  B       6.575500      4.527000      2.751800
  Li      4.374800      6.949900      4.965200
  O       4.374700      5.511600      6.416900
  H       7.287900      4.236800      2.059000
  H       5.667900      4.788100      2.310200
  H       5.068500      5.357200      6.752900
  H       3.784800      5.680200      7.014100
54
Coordinates from ORCA-job OWUKID-B3LYP+D4 E -1941.652750721863
  O       2.217916      2.709099      4.004696
  O       0.271153      1.743578      4.101207
  O       4.169193      8.719497      3.555575
  O       2.973785     10.491042      3.169750
  N       0.704298      5.396241      6.507185
  N       1.442313      4.596684      5.708745
  N       1.051294      2.641184      4.410886
  N       1.482424      7.818863      6.328980
  N       2.517894      7.921651      5.470201
  N       3.200751      9.449942      3.779915
  C       0.575885      3.669748      5.294617
  C      -0.706518      3.827523      5.806151
  H      -1.502706      3.271393      5.657364
  C      -0.576197      4.961172      6.574268
  H      -1.293705      5.390750      7.090806
  C       2.276184      9.054428      4.809945
  C       1.115105      9.706612      5.213551
  H       0.733498     10.549685      4.883359
  C       0.640608      8.868958      6.191727
  H      -0.181077      9.005652      6.713759
  B       1.291339      6.609307      7.295123
  Li      3.488242      4.187869      5.083854
  O       3.489847      5.625540      3.631482
  H       0.558978      6.907106      8.007823
  H       2.223834      6.340940      7.746953
  H       2.732639      5.794168      3.264145
  H       4.105726      5.449121      3.009071
  O       5.645088      8.428530      6.044282
  O       7.591882      9.394175      5.947956
  O       3.693903      2.418037      6.493206
  O       4.889313      0.646466      6.878943
  N       7.159071      5.741561      3.541790
  N       6.420937      6.541092      4.340231
  N       6.811744      8.496534      5.638183
  N       6.380788      3.318814      3.719840
  N       5.345278      3.215947      4.578571
  N       4.662352      1.687593      6.268821
  C       7.287287      7.468042      4.754434
  C       8.569721      7.310328      4.242949
  H       9.365883      7.866479      4.391789
  C       8.439471      6.176687      3.474777
  H       9.157032      5.747145      2.958349
  C       5.586964      2.083159      5.238815
  C       6.748053      1.430999      4.835199
  H       7.129658      0.587913      5.165362
  C       7.222675      2.268705      3.857076
  H       8.044306      2.132033      3.335060
  B       6.571942      4.528473      2.753787
  Li      4.374953      6.949695      4.964971
  O       4.373461      5.512011      6.417388
  H       7.304333      4.230712      2.041102
  H       5.639548      4.796872      2.301929
  H       5.130707      5.343302      6.784608
  H       3.757746      5.688846      7.039844
54
Coordinates from ORCA-job OWUKID-B3LYP+D4 E -1941.738619814078
  O       2.220191      2.709772      4.004278
  O       0.279034      1.746609      4.096336
  O       4.172096      8.716852      3.553792
  O       2.979066     10.484819      3.167193
  N       0.708773      5.393568      6.503869
  N       1.441983      4.595753      5.707299
  N       1.055448      2.641518      4.407543
  N       1.487916      7.817082      6.324498
  N       2.518623      7.921711      5.467296
  N       3.204557      9.446623      3.776525
  C       0.580176      3.667326      5.289790
  C      -0.704122      3.825831      5.801315
  H      -1.531718      3.248909      5.646013
  C      -0.571879      4.960412      6.571981
  H      -1.309441      5.415272      7.113163
  C       2.281702      9.052794      4.803782
  C       1.119140      9.705289      5.207514
  H       0.722421     10.580819      4.864077
  C       0.644014      8.865742      6.188932
  H      -0.207711      8.997337      6.737804
  B       1.297963      6.606930      7.292161
  Li      3.488054      4.188078      5.084217
  O       3.492332      5.624333      3.630625
  H       0.536532      6.915525      8.035052
  H       2.268355      6.327540      7.758587
  H       2.701325      5.801044      3.244577
  H       4.130794      5.440249      2.984328
  O       5.642160      8.427747      6.044966
  O       7.583148      9.391456      5.953455
  O       3.690606      2.420256      6.494748
  O       4.883547      0.652108      6.880899
  N       7.154723      5.744564      3.545295
  N       6.421333      6.542276      4.341865
  N       6.807017      8.496374      5.641955
  N       6.375251      3.320499      3.724135
  N       5.344419      3.215606      4.581181
  N       4.658116      1.690433      6.271770
  C       7.282810      7.470815      4.759615
  C       8.567207      7.312565      4.248216
  H       9.394688      7.889608      4.403675
  C       8.435257      6.177987      3.477390
  H       9.172999      5.723301      2.936347
  C       5.581175      2.084440      5.244604
  C       6.743746      1.431987      4.840801
  H       7.140408      0.556374      5.184094
  C       7.219113      2.271739      3.859604
  H       8.070857      2.140208      3.310812
  B       6.565462      4.531071      2.756829
  Li      4.375138      6.949107      4.964467
  O       4.371487      5.512660      6.417727
  H       7.326977      4.222620      2.013965
  H       5.595189      4.810582      2.290340
  H       5.162875      5.335939      6.802987
  H       3.735465      5.697838      7.066112
54
Coordinates from ORCA-job OWUKID-B3LYP+D4 E -1941.781485567624
  O       2.227060      2.714061      4.003273
  O       0.288137      1.754627      4.081062
  O       4.177272      8.708248      3.549387
  O       2.985996     10.473577      3.159697
  N       0.716343      5.389347      6.502151
  N       1.442274      4.594778      5.707062
  N       1.061994      2.644584      4.400090
  N       1.496468      7.812527      6.317857
  N       2.519723      7.919072      5.462505
  N       3.209726      9.438162      3.769206
  C       0.587124      3.665521      5.282117
  C      -0.700715      3.827986      5.792201
  H      -1.560443      3.233620      5.626486
  C      -0.565729      4.959158      6.570709
  H      -1.312936      5.447737      7.141781
  C       2.289302      9.046592      4.792692
  C       1.123324      9.698010      5.196893
  H       0.710581     10.604360      4.839060
  C       0.648206      8.859032      6.183432
  H      -0.229846      8.973523      6.765950
  B       1.308970      6.603368      7.288677
  Li      3.488019      4.189458      5.085577
  O       3.496073      5.621789      3.630200
  H       0.513609      6.924009      8.074138
  H       2.330392      6.309834      7.770862
  H       2.669509      5.808330      3.220953
  H       4.149391      5.428533      2.958698
  O       5.633694      8.423448      6.046317
  O       7.572008      9.384304      5.969663
  O       3.684354      2.427921      6.498240
  O       4.875156      0.661982      6.886597
  N       7.147506      5.749347      3.547717
  N       6.420957      6.543709      4.342467
  N       6.798971      8.493876      5.650033
  N       6.366751      3.324887      3.730621
  N       5.342959      3.217764      4.585323
  N       4.651735      1.697852      6.277794
  C       7.275202      7.473409      4.767940
  C       8.563368      7.311609      4.258391
  H       9.422724      7.906400      4.424515
  C       8.429365      6.180298      3.479787
  H       9.177157      5.692144      2.909129
  C       5.572827      2.089957      5.254804
  C       6.738870      1.438575      4.850679
  H       7.151319      0.531951      5.208166
  C       7.214725      2.278096      3.864914
  H       8.093078      2.163786      3.282841
  B       6.555241      4.534985      2.760792
  Li      4.375141      6.947017      4.962710
  O       4.368933      5.514015      6.416832
  H       7.351037      4.214683      1.975648
  H       5.534192      4.828783      2.278064
  H       5.197003      5.327527      6.823196
  H       3.722702      5.709730      7.094503
54
Coordinates from ORCA-job OWUKID-B3LYP+D4 E -1941.787371342179
  O       2.233858      2.722799      4.003335
  O       0.290054      1.771354      4.059784
  O       4.178465      8.697094      3.545804
  O       2.987233     10.462130      3.153713
  N       0.721204      5.385146      6.510878
  N       1.444452      4.594672      5.714000
  N       1.065695      2.654324      4.392308
  N       1.500071      7.808156      6.317109
  N       2.520147      7.913676      5.462337
  N       3.210320      9.427563      3.764421
  C       0.591288      3.669275      5.278853
  C      -0.699787      3.835713      5.784693
  H      -1.573511      3.239667      5.606161
  C      -0.564169      4.958825      6.573383
  H      -1.307826      5.466400      7.159729
  C       2.290720      9.037146      4.786000
  C       1.121449      9.686967      5.188362
  H       0.701091     10.603039      4.821343
  C       0.647109      8.852683      6.178728
  H      -0.238948      8.951567      6.778567
  B       1.311944      6.603009      7.291362
  Li      3.488301      4.192102      5.087778
  O       3.493698      5.620715      3.632986
  H       0.501160      6.929539      8.098704
  H       2.357441      6.305547      7.785208
  H       2.652511      5.813229      3.214663
  H       4.143574      5.420490      2.943922
  O       5.625960      8.414848      6.045912
  O       7.568904      9.368132      5.990575
  O       3.682142      2.438521      6.500779
  O       4.872652      0.672671      6.891211
  N       7.142820      5.753516      3.539492
  N       6.418397      6.543902      4.335444
  N       6.794290      8.484521      5.657507
  N       6.363398      3.329300      3.731633
  N       5.342309      3.223181      4.585246
  N       4.650256      1.708078      6.281739
  C       7.270389      7.469999      4.771153
  C       8.562013      7.304333      4.266411
  H       9.435189      7.901007      4.445541
  C       8.427928      6.180822      3.477997
  H       9.172529      5.673645      2.892503
  C       5.570982      2.099387      5.261267
  C       6.740602      1.449717      4.859639
  H       7.160536      0.533384      5.226498
  C       7.216113      2.284600      3.870363
  H       8.102841      2.185999      3.271475
  B       6.553203      4.535218      2.758469
  Li      4.374609      6.944103      4.960126
  O       4.371513      5.514543      6.413250
  H       7.365036      4.208991      1.952100
  H       5.508502      4.832850      2.263097
  H       5.215213      5.321907      6.826747
  H       3.730928      5.717896      7.110094
54
Coordinates from ORCA-job OWUKID-B3LYP+D4 E -1941.788231987618
  O       2.239655      2.732832      4.003958
  O       0.289013      1.793466      4.036335
  O       4.177221      8.686007      3.543378
  O       2.985488     10.450583      3.149297
  N       0.725589      5.381281      6.524099
  N       1.448138      4.595070      5.723843
  N       1.067637      2.668407      4.383355
  N       1.501245      7.803891      6.319514
  N       2.520284      7.907529      5.464546
  N       3.208059      9.416147      3.760818
  C       0.593874      3.676768      5.276709
  C      -0.699172      3.844999      5.778935
  H      -1.577306      3.253245      5.589080
  C      -0.563615      4.960389      6.576598
  H      -1.301083      5.476019      7.169555
  C       2.288469      9.026543      4.781669
  C       1.116594      9.674878      5.180852
  H       0.692876     10.590521      4.807397
  C       0.643808      8.845963      6.174870
  H      -0.242397      8.934959      6.781705
  B       1.313333      6.603461      7.297316
  Li      3.488852      4.195092      5.090135
  O       3.489007      5.620309      3.636742
  H       0.498208      6.932827      8.113257
  H       2.367225      6.307872      7.798637
  H       2.643262      5.816621      3.217542
  H       4.129070      5.414515      2.936355
  O       5.619899      8.404937      6.044801
  O       7.569590      9.346309      6.013326
  O       3.682812      2.449378      6.502445
  O       4.873869      0.684088      6.895185
  N       7.138469      5.757146      3.526453
  N       6.414452      6.543416      4.325392
  N       6.792057      8.470565      5.666002
  N       6.362470      3.333742      3.729534
  N       5.342163      3.229523      4.583051
  N       4.652128      1.719443      6.284961
  C       7.267518      7.462503      4.773080
  C       8.561252      7.294887      4.272423
  H       9.438799      7.887268      4.463042
  C       8.427418      6.178963      3.475225
  H       9.165985      5.663573      2.883422
  C       5.573202      2.110237      5.265741
  C       6.745731      1.462269      4.867882
  H       7.169039      0.546476      5.241435
  C       7.219828      2.291712      3.874967
  H       8.106916      2.203083      3.269367
  B       6.552194      4.534620      2.752630
  Li      4.373841      6.941117      4.957519
  O       4.375925      5.514815      6.409202
  H       7.368601      4.205475      1.937939
  H       5.499227      4.830279      2.249345
  H       5.224747      5.318117      6.822347
  H       3.745332      5.723766      7.117187
54
Coordinates from ORCA-job OWUKID-B3LYP+D4 E -1941.788698779579
  O       2.247182      2.745984      4.005303
  O       0.286858      1.825695      4.003263
  O       4.174704      8.671290      3.540257
  O       2.981435     10.434207      3.142276
  N       0.731760      5.377132      6.540991
  N       1.453734      4.596074      5.736317
  N       1.070516      2.687273      4.372308
  N       1.502362      7.798006      6.323045
  N       2.520354      7.899236      5.467389
  N       3.204454      9.400975      3.756091
  C       0.597194      3.687728      5.273983
  C      -0.698255      3.858870      5.770271
  H      -1.578706      3.274727      5.566924
  C      -0.561575      4.962792      6.581830
  H      -1.290947      5.482420      7.181527
  C       2.284468      9.012373      4.776381
  C       1.109389      9.658590      5.170919
  H       0.682745     10.570151      4.790294
  C       0.639397      8.836365      6.170274
  H      -0.244374      8.916581      6.782096
  B       1.317720      6.603249      7.305733
  Li      3.489760      4.199111      5.093371
  O       3.483162      5.619418      3.641281
  H       0.503747      6.934638      8.128680
  H       2.377096      6.311534      7.810540
  H       2.635523      5.819812      3.224383
  H       4.109462      5.406532      2.930066
  O       5.612183      8.391937      6.042898
  O       7.571509      9.314352      6.045900
  O       3.684830      2.463978      6.504728
  O       4.877466      0.700493      6.901958
  N       7.132438      5.761094      3.509739
  N       6.408738      6.542359      4.312714
  N       6.789006      8.451853      5.676629
  N       6.361677      3.339840      3.726295
  N       5.342160      3.237994      4.580187
  N       4.655479      1.734688      6.289409
  C       7.264075      7.451498      4.775730
  C       8.560360      7.280735      4.281556
  H       9.440198      7.865452      4.485902
  C       8.425568      6.176156      3.470581
  H       9.156181      5.656556      2.872369
  C       5.577253      2.124655      5.271171
  C       6.753190      1.478944      4.878402
  H       7.179397      0.567308      5.259329
  C       7.224694      2.301710      3.880230
  H       8.109539      2.221955      3.269897
  B       6.548125      4.534770      2.744277
  Li      4.372704      6.937222      4.953934
  O       4.381343      5.515651      6.404380
  H       7.363457      4.203537      1.922682
  H       5.489688      4.826489      2.237297
  H       5.232480      5.314462      6.814075
  H       3.763900      5.731450      7.122343
54
Coordinates from ORCA-job OWUKID-B3LYP+D4 E -1941.789015289573
  O       2.256488      2.761919      4.007038
  O       0.285161      1.866053      3.963145
  O       4.170731      8.652972      3.536363
  O       2.975170     10.413193      3.132663
  N       0.739251      5.372921      6.560332
  N       1.460870      4.597720      5.750558
  N       1.073845      2.712241      4.356648
  N       1.503425      7.790957      6.327798
  N       2.520286      7.889289      5.471018
  N       3.198777      9.381581      3.749253
  C       0.601347      3.701847      5.270116
  C      -0.696098      3.874604      5.761410
  H      -1.577255      3.298869      5.544657
  C      -0.558596      4.967529      6.586489
  H      -1.280457      5.488749      7.191296
  C       2.279051      8.995164      4.770330
  C       1.101026      9.639539      5.159996
  H       0.671737     10.545001      4.771653
  C       0.634473      8.824527      6.165834
  H      -0.245766      8.898170      6.781039
  B       1.324807      6.602303      7.316952
  Li      3.490992      4.204071      5.097391
  O       3.476413      5.617947      3.646205
  H       0.516035      6.935213      8.145153
  H       2.387385      6.315885      7.821161
  H       2.628298      5.823200      3.234914
  H       4.086502      5.396209      2.924848
  O       5.602588      8.376173      6.040560
  O       7.572880      9.274260      6.085892
  O       3.688328      2.482272      6.507640
  O       4.883336      0.721725      6.911493
  N       7.125264      5.765221      3.490593
  N       6.401653      6.540753      4.298304
  N       6.785513      8.426987      5.692132
  N       6.361035      3.347086      3.721763
  N       5.342366      3.248053      4.576422
  N       4.660820      1.754102      6.295792
  C       7.259943      7.437306      4.779796
  C       8.558395      7.264681      4.291227
  H       9.438909      7.840878      4.509356
  C       8.422962      6.171088      3.466676
  H       9.146221      5.649711      2.863678
  C       5.582675      2.141970      5.277164
  C       6.761789      1.498276      4.889744
  H       7.190605      0.592814      5.278601
  C       7.230079      2.313846      3.885170
  H       8.111580      2.240760      3.271709
  B       6.541436      4.535757      2.733077
  Li      4.371191      6.932486      4.949344
  O       4.387538      5.517107      6.399047
  H       7.351594      4.202964      1.906251
  H       5.479775      4.822127      2.226605
  H       5.239331      5.310509      6.802216
  H       3.785098      5.741315      7.125890
54
Coordinates from ORCA-job OWUKID-B3LYP+D4 E -1941.789163881702
  O       2.263586      2.773091      4.009616
  O       0.283788      1.898326      3.931447
  O       4.166046      8.638710      3.532767
  O       2.967559     10.395500      3.122657
  N       0.744372      5.370947      6.573107
  N       1.466151      4.599443      5.760343
  N       1.077277      2.729084      4.347527
  N       1.503843      7.786300      6.331907
  N       2.519673      7.882295      5.473806
  N       3.193519      9.367161      3.743831
  C       0.604725      3.711893      5.268082
  C      -0.694757      3.887749      5.753137
  H      -1.576178      3.318448      5.526819
  C      -0.555697      4.971127      6.590425
  H      -1.274562      5.490339      7.198225
  C       2.274553      8.983061      4.766482
  C       1.094606      9.626150      5.152692
  H       0.663351     10.526828      4.758891
  C       0.631304      8.816285      6.164151
  H      -0.246740      8.888825      6.780368
  B       1.331073      6.601290      7.326416
  Li      3.492183      4.207724      5.100843
  O       3.471113      5.616207      3.649291
  H       0.527949      6.934741      8.156410
  H       2.394137      6.318552      7.826361
  H       2.622748      5.825483      3.244910
  H       4.070035      5.387301      2.922177
  O       5.595070      8.365194      6.037522
  O       7.573842      9.242098      6.118125
  O       3.692736      2.496584      6.510416
  O       4.890525      0.739480      6.921181
  N       7.120587      5.767306      3.478099
  N       6.396604      6.539161      4.288576
  N       6.781833      8.410292      5.701368
  N       6.360990      3.351859      3.717654
  N       5.343116      3.255044      4.573330
  N       4.665885      1.768570      6.300782
  C       7.256689      7.427247      4.782326
  C       8.557356      7.251334      4.300585
  H       9.438093      7.820974      4.528696
  C       8.420573      6.167357      3.463659
  H       9.141009      5.647895      2.857938
  C       5.587076      2.153945      5.280612
  C       6.768125      1.511503      4.896780
  H       7.198760      0.610755      5.291091
  C       7.233525      2.322144      3.886902
  H       8.113001      2.250259      3.272656
  B       6.535647      4.536968      2.723647
  Li      4.369751      6.929074      4.945217
  O       4.392386      5.518897      6.395460
  H       7.340226      4.203671      1.895056
  H       5.473519      4.819688      2.221409
  H       5.244237      5.307870      6.791569
  H       3.799980      5.749875      7.127056
54
Coordinates from ORCA-job OWUKID-B3LYP+D4 E -1941.789249786022
  O       2.269108      2.780715      4.012062
  O       0.283785      1.921174      3.909387
  O       4.160823      8.627556      3.529404
  O       2.959943     10.381377      3.113647
  N       0.747525      5.370421      6.581091
  N       1.469798      4.601076      5.766882
  N       1.079230      2.743613      4.337922
  N       1.503844      7.783750      6.335789
  N       2.518604      7.877750      5.476243
  N       3.187364      9.355449      3.738123
  C       0.607048      3.719691      5.265820
  C      -0.693256      3.895822      5.748602
  H      -1.574752      3.329612      5.517177
  C      -0.553852      4.975481      6.591113
  H      -1.273729      5.492820      7.198461
  C       2.270572      8.974812      4.764130
  C       1.090361      9.618015      5.149262
  H       0.657657     10.515868      4.751954
  C       0.629475      8.811213      6.164733
  H      -0.247937      8.885922      6.780753
  B       1.335882      6.600474      7.334399
  Li      3.493290      4.210286      5.103881
  O       3.466985      5.614292      3.650970
  H       0.536902      6.934016      8.164401
  H       2.398671      6.319870      7.828760
  H       2.617623      5.827444      3.253902
  H       4.058659      5.379378      2.920578
  O       5.589052      8.357759      6.034703
  O       7.573356      9.219273      6.140989
  O       3.697771      2.507763      6.513046
  O       4.897817      0.753625      6.929848
  N       7.117886      5.768029      3.470426
  N       6.393237      6.537705      4.282193
  N       6.779609      8.395783      5.711392
  N       6.361340      3.354477      3.713677
  N       5.344330      3.259523      4.570531
  N       4.671717      1.780110      6.305824
  C       7.254515      7.419432      4.785235
  C       8.556159      7.243172      4.306204
  H       9.436932      7.809607      4.539820
  C       8.419228      6.163043      3.463845
  H       9.140834      5.645448      2.858773
  C       5.590876      2.161900      5.282360
  C       6.772268      1.519383      4.899785
  H       7.204214      0.621372      5.297556
  C       7.235527      2.327123      3.886135
  H       8.114494      2.253129      3.272252
  B       6.531331      4.538041      2.715729
  Li      4.368408      6.926738      4.941418
  O       4.396167      5.520886      6.393177
  H       7.331880      4.204742      1.887177
  H       5.469514      4.818680      2.219094
  H       5.248587      5.305712      6.782412
  H       3.810128      5.757550      7.127352
54
Coordinates from ORCA-job OWUKID-B3LYP+D4 E -1941.789309129404
  O       2.273099      2.784646      4.015580
  O       0.283428      1.937895      3.892988
  O       4.154648      8.619262      3.526022
  O       2.951063     10.369860      3.104585
  N       0.748830      5.371206      6.585100
  N       1.471823      4.602589      5.770907
  N       1.081265      2.751054      4.334440
  N       1.503401      7.783060      6.339452
  N       2.516825      7.875296      5.478157
  N       3.181286      9.347575      3.733823
  C       0.608588      3.724233      5.265155
  C      -0.692939      3.902658      5.743743
  H      -1.575198      3.338686      5.508442
  C      -0.552872      4.979040      6.590881
  H      -1.275813      5.494320      7.196927
  C       2.266991      8.970286      4.763342
  C       1.086927      9.613710      5.148351
  H       0.652751     10.510221      4.748851
  C       0.628545      8.809153      6.167282
  H      -0.249119      8.887744      6.783038
  B       1.338731      6.600069      7.340602
  Li      3.494436      4.211749      5.106850
  O       3.463375      5.612157      3.651656
  H       0.541633      6.933456      8.170239
  H       2.401676      6.319901      7.829602
  H       2.611913      5.829067      3.261731
  H       4.050476      5.372398      2.919179
  O       5.584506      8.354081      6.030833
  O       7.573202      9.202462      6.158435
  O       3.703813      2.516031      6.515759
  O       4.906254      0.764897      6.938220
  N       7.117021      5.767460      3.466825
  N       6.391479      6.536370      4.278441
  N       6.777225      8.388439      5.715298
  N       6.362097      3.355230      3.709837
  N       5.346231      3.261896      4.568198
  N       4.677565      1.787823      6.309485
  C       7.253087      7.414919      4.786606
  C       8.556119      7.236273      4.312252
  H       9.437616      7.800352      4.550145
  C       8.418732      6.159570      3.465043
  H       9.143571      5.644061      2.861463
  C       5.594259      2.166097      5.282450
  C       6.775468      1.523283      4.900001
  H       7.208685      0.626437      5.299791
  C       7.236580      2.329059      3.883267
  H       8.115928      2.251258      3.269819
  B       6.529001      4.538761      2.709635
  Li      4.367046      6.925484      4.937628
  O       4.399537      5.523125      6.391771
  H       7.327844      4.205751      1.881542
  H       5.467096      4.819068      2.218364
  H       5.253534      5.304063      6.774695
  H       3.817531      5.764357      7.127670
54
Coordinates from ORCA-job OWUKID-B3LYP+D4 E -1941.789348382659
  O       2.276103      2.785928      4.019458
  O       0.283562      1.948091      3.882971
  O       4.147969      8.613072      3.522618
  O       2.942366     10.361219      3.096774
  N       0.748825      5.372551      6.586720
  N       1.472619      4.603739      5.773455
  N       1.082326      2.756455      4.331445
  N       1.502674      7.783724      6.342903
  N       2.514495      7.874298      5.479606
  N       3.174656      9.341751      3.729713
  C       0.609170      3.727471      5.264201
  C      -0.693202      3.907454      5.739856
  H      -1.576464      3.344948      5.501807
  C      -0.553008      4.982288      6.589252
  H      -1.279453      5.496509      7.193262
  C       2.263419      8.968094      4.763200
  C       1.084310      9.612403      5.149504
  H       0.648954     10.508731      4.749105
  C       0.628028      8.809389      6.170915
  H      -0.249977      8.891817      6.786916
  B       1.339606      6.600123      7.344828
  Li      3.495542      4.212307      5.109928
  O       3.460284      5.609883      3.651773
  H       0.542217      6.933237      8.174651
  H       2.403748      6.319165      7.829960
  H       2.606125      5.830555      3.268083
  H       4.043966      5.366300      2.917464
  O       5.581037      8.353071      6.026622
  O       7.572679      9.192089      6.169382
  O       3.710375      2.522115      6.518614
  O       4.914563      0.773203      6.945329
  N       7.117320      5.766269      3.465559
  N       6.390830      6.535363      4.276113
  N       6.775870      8.383061      5.718700
  N       6.363083      3.354637      3.706236
  N       5.348666      3.262839      4.566412
  N       4.683961      1.793415      6.312983
  C       7.252540      7.411696      4.788125
  C       8.556539      7.231444      4.317057
  H       9.439010      7.793961      4.558005
  C       8.419197      6.156368      3.467474
  H       9.147681      5.641928      2.866109
  C       5.597696      2.168049      5.282041
  C       6.777982      1.524349      4.898361
  H       7.212235      0.627554      5.298915
  C       7.237236      2.328771      3.879396
  H       8.117030      2.247197      3.265837
  B       6.528535      4.538964      2.705507
  Li      4.365749      6.925100      4.933769
  O       4.402480      5.525510      6.390916
  H       7.327852      4.206363      1.877334
  H       5.465486      4.820146      2.218100
  H       5.258675      5.302648      6.768595
  H       3.823636      5.770289      7.128540
54
Coordinates from ORCA-job OWUKID-B3LYP+D4 E -1941.789369573637
  O       2.278035      2.785101      4.023415
  O       0.283597      1.953290      3.877896
  O       4.141852      8.609263      3.519761
  O       2.935042     10.355995      3.091476
  N       0.748142      5.373739      6.587080
  N       1.472597      4.604338      5.774945
  N       1.083042      2.758355      4.331119
  N       1.501833      7.784861      6.345708
  N       2.511996      7.874104      5.480396
  N       3.168902      9.338498      3.726990
  C       0.609123      3.729234      5.263593
  C      -0.693985      3.910840      5.736583
  H      -1.577969      3.349596      5.496579
  C      -0.554144      4.985406      6.586356
  H      -1.282779      5.499933      7.188162
  C       2.260161      8.967484      4.763489
  C       1.082166      9.612725      5.151593
  H       0.646145     10.509268      4.751400
  C       0.627578      8.810831      6.174642
  H      -0.249979      8.895582      6.791644
  B       1.339014      6.600399      7.346886
  Li      3.496500      4.212106      5.112818
  O       3.457915      5.607880      3.651734
  H       0.540415      6.933098      8.177401
  H       2.404645      6.318262      7.830387
  H       2.601714      5.831578      3.272396
  H       4.038614      5.362010      2.915636
  O       5.578863      8.354165      6.022404
  O       7.572520      9.186665      6.175056
  O       3.716412      2.525782      6.521165
  O       4.921626      0.778108      6.950110
  N       7.118106      5.765134      3.465400
  N       6.390862      6.534845      4.274713
  N       6.775007      8.381180      5.719228
  N       6.364075      3.353555      3.703359
  N       5.351227      3.263015      4.565452
  N       4.689573      1.796479      6.315334
  C       7.252559      7.409941      4.789003
  C       8.557362      7.227980      4.320848
  H       9.440554      7.789146      4.563943
  C       8.420444      6.153244      3.470800
  H       9.151188      5.638494      2.871743
  C       5.600935      2.168582      5.281512
  C       6.780167      1.523997      4.896113
  H       7.215034      0.626940      5.296411
  C       7.237826      2.327374      3.875604
  H       8.117243      2.243527      3.261130
  B       6.529332      4.538815      2.703497
  Li      4.364673      6.925425      4.930324
  O       4.404788      5.527624      6.390407
  H       7.329975      4.206718      1.874706
  H       5.464810      4.821214      2.217702
  H       5.262681      5.301761      6.764535
  H       3.828792      5.774413      7.129815
54
Coordinates from ORCA-job OWUKID-B3LYP+D4 E -1941.789386585655
  O       2.279879      2.782757      4.028231
  O       0.283823      1.956185      3.875098
  O       4.135035      8.606088      3.516527
  O       2.927614     10.352086      3.086905
  N       0.747069      5.374985      6.586711
  N       1.472236      4.604582      5.776176
  N       1.083591      2.759293      4.331306
  N       1.500728      7.786356      6.348318
  N       2.508854      7.874180      5.480566
  N       3.162671      9.336049      3.724314
  C       0.608708      3.730843      5.262563
  C      -0.695287      3.914564      5.732301
  H      -1.579857      3.355156      5.489980
  C      -0.555720      4.988194      6.583167
  H      -1.285543      5.503126      7.183270
  C       2.256410      8.967483      4.763708
  C       1.079966      9.614033      5.154343
  H       0.643681     10.510941      4.755128
  C       0.627091      8.813186      6.178865
  H      -0.249116      8.899653      6.797614
  B       1.337778      6.600792      7.347816
  Li      3.497553      4.211372      5.116366
  O       3.455783      5.605531      3.651646
  H       0.538105      6.932726      8.179308
  H       2.404750      6.317278      7.830468
  H       2.598157      5.832273      3.276195
  H       4.033043      5.357964      2.913500
  O       5.576961      8.356809      6.017366
  O       7.572410      9.183464      6.178281
  O       3.723196      2.528810      6.524294
  O       4.928896      0.781716      6.954312
  N       7.119145      5.763900      3.465832
  N       6.391153      6.534670      4.273462
  N       6.774453      8.380227      5.719149
  N       6.365251      3.352100      3.700718
  N       5.354403      3.262936      4.565222
  N       4.695779      1.798814      6.317868
  C       7.252927      7.408328      4.790113
  C       8.558633      7.224162      4.325341
  H       9.442427      7.783411      4.570853
  C       8.422006      6.150357      3.474210
  H       9.153968      5.635141      2.876957
  C       5.604764      2.168624      5.281281
  C       6.782499      1.522784      4.893399
  H       7.217652      0.625376      5.292726
  C       7.238456      2.325132      3.871425
  H       8.116577      2.239623      3.255259
  B       6.530614      4.538467      2.702558
  Li      4.363550      6.926289      4.926335
  O       4.406901      5.530122      6.390064
  H       7.332397      4.207187      1.872836
  H       5.464742      4.822228      2.217591
  H       5.265914      5.301280      6.761088
  H       3.834125      5.778267      7.131468
54
Coordinates from ORCA-job OWUKID-B3LYP+D4 E -1941.789405792900
  O       2.282234      2.778185      4.035378
  O       0.284299      1.957887      3.873358
  O       4.125587      8.602659      3.512078
  O       2.918119     10.348581      3.082226
  N       0.745487      5.376474      6.585634
  N       1.471629      4.604486      5.777496
  N       1.084478      2.758725      4.332944
  N       1.499051      7.788322      6.351470
  N       2.504153      7.874281      5.480133
  N       3.154339      9.333819      3.721211
  C       0.608093      3.732362      5.261220
  C      -0.697065      3.918850      5.726643
  H      -1.582040      3.361569      5.481798
  C      -0.558347      4.992763      6.577110
  H      -1.289128      5.509308      7.174269
  C       2.251177      8.967970      4.764095
  C       1.077279      9.616664      5.158837
  H       0.641131     10.514326      4.761695
  C       0.626556      8.816826      6.184956
  H      -0.247088      8.904955      6.806699
  B       1.335865      6.601179      7.348306
  Li      3.499026      4.209895      5.121660
  O       3.453431      5.602163      3.651546
  H       0.535348      6.931801      8.180880
  H       2.403848      6.316034      7.830486
  H       2.594796      5.832829      3.280629
  H       4.026034      5.353113      2.910596
  O       5.574766      8.361787      6.010019
  O       7.572374      9.181272      6.180398
  O       3.732706      2.532083      6.528883
  O       4.938423      0.784974      6.958837
  N       7.120546      5.762399      3.466823
  N       6.391627      6.534847      4.272003
  N       6.773751      8.380754      5.717541
  N       6.366909      3.350158      3.697562
  N       5.359109      3.262833      4.565709
  N       4.704155      1.800914      6.320978
  C       7.253508      7.406777      4.791367
  C       8.560357      7.219660      4.331002
  H       9.444617      7.776636      4.579106
  C       8.424467      6.145637      3.480208
  H       9.157341      5.628733      2.885928
  C       5.610159      2.168255      5.281066
  C       6.785457      1.520401      4.889143
  H       7.220602      0.622339      5.286479
  C       7.239124      2.321661      3.865434
  H       8.114701      2.234543      3.246271
  B       6.532377      4.538060      2.701998
  Li      4.362069      6.927945      4.920655
  O       4.409279      5.533734      6.389820
  H       7.334999      4.208116      1.871186
  H       5.465448      4.823382      2.217514
  H       5.268940      5.301101      6.757283
  H       3.840696      5.782875      7.133831
54
Coordinates from ORCA-job OWUKID-B3LYP+D4 E -1941.789424821559
  O       2.284974      2.771685      4.043968
  O       0.285325      1.957336      3.873473
  O       4.115087      8.599526      3.506750
  O       2.908628     10.346509      3.078345
  N       0.743687      5.377970      6.583589
  N       1.471016      4.603787      5.778705
  N       1.085631      2.756830      4.335267
  N       1.497005      7.790357      6.354113
  N       2.498534      7.874226      5.478590
  N       3.145486      9.332349      3.717970
  C       0.607504      3.733458      5.259519
  C      -0.699106      3.923525      5.719467
  H      -1.584422      3.368750      5.471555
  C      -0.561093      4.997009      6.570487
  H      -1.292212      5.515303      7.165107
  C       2.245443      8.968918      4.764276
  C       1.074903      9.620493      5.164250
  H       0.639441     10.519387      4.769984
  C       0.626371      8.821376      6.191822
  H      -0.243877      8.910938      6.817517
  B       1.333776      6.601429      7.348055
  Li      3.500686      4.207794      5.128259
  O       3.451684      5.598050      3.651474
  H       0.533251      6.930370      8.181529
  H       2.401875      6.314786      7.829998
  H       2.592845      5.832924      3.284679
  H       4.019525      5.348123      2.907568
  O       5.572519      8.368693      6.001366
  O       7.572188      9.181211      6.180444
  O       3.743456      2.535170      6.534760
  O       4.948231      0.786964      6.962914
  N       7.121993      5.760866      3.468554
  N       6.392074      6.535619      4.270533
  N       6.773064      8.382524      5.715178
  N       6.368761      3.348115      3.694918
  N       5.364672      3.262894      4.567449
  N       4.713340      1.802477      6.324677
  C       7.254134      7.405586      4.792777
  C       8.562334      7.214686      4.337772
  H       9.447038      7.769000      4.588879
  C       8.426907      6.141108      3.486446
  H       9.159983      5.622320      2.894670
  C       5.616158      2.167537      5.281301
  C       6.788120      1.516876      4.884038
  H       7.222792      0.617732      5.278600
  C       7.239345      2.317311      3.858671
  H       8.111482      2.228803      3.235461
  B       6.534033      4.537713      2.702084
  Li      4.360516      6.930265      4.913919
  O       4.411106      5.538180      6.389863
  H       7.336555      4.209418      1.870287
  H       5.466908      4.824411      2.217909
  H       5.270604      5.301539      6.754197
  H       3.846521      5.787674      7.136416
54
Coordinates from ORCA-job OWUKID-B3LYP+D4 E -1941.789440809281
  O       2.287676      2.764765      4.052140
  O       0.286815      1.954880      3.875011
  O       4.105959      8.597301      3.501666
  O       2.901658     10.346597      3.076700
  N       0.742241      5.378867      6.581282
  N       1.470777      4.602435      5.779721
  N       1.087144      2.753430      4.338416
  N       1.495107      7.791655      6.355621
  N       2.493343      7.873670      5.476269
  N       3.138312      9.331985      3.715541
  C       0.607397      3.733371      5.258340
  C      -0.700495      3.926530      5.713386
  H      -1.585905      3.373304      5.463174
  C      -0.563505      5.001064      6.563248
  H      -1.294817      5.521992      7.154957
  C       2.240727      8.969956      4.764397
  C       1.073777      9.624642      5.169758
  H       0.639489     10.525212      4.778538
  C       0.626791      8.825521      6.198031
  H      -0.240244      8.915972      6.827693
  B       1.332073      6.601285      7.347552
  Li      3.502150      4.205565      5.134863
  O       3.451124      5.594068      3.651601
  H       0.532184      6.928797      8.181256
  H       2.399255      6.313851      7.829674
  H       2.592790      5.832583      3.287419
  H       4.015523      5.344172      2.905314
  O       5.570622      8.375885      5.993332
  O       7.571845      9.183049      6.178776
  O       3.753044      2.537533      6.540761
  O       4.955974      0.787204      6.965342
  N       7.122977      5.759890      3.470364
  N       6.392188      6.536998      4.269210
  N       6.772267      8.385762      5.711864
  N       6.370285      3.346783      3.693403
  N       5.369749      3.263484      4.570095
  N       4.720940      1.803009      6.327760
  C       7.254399      7.405506      4.793504
  C       8.563729      7.211249      4.343140
  H       9.448681      7.763826      4.596386
  C       8.428911      6.136737      3.492891
  H       9.161926      5.615213      2.903820
  C       5.621118      2.166730      5.281674
  C       6.789528      1.513079      4.878886
  H       7.223312      0.612454      5.270531
  C       7.238759      2.313298      3.852446
  H       8.107523      2.223873      3.225025
  B       6.535045      4.537698      2.702357
  Li      4.359293      6.932714      4.907564
  O       4.411775      5.542541      6.390182
  H       7.336707      4.210736      1.870153
  H       5.468734      4.825063      2.218174
  H       5.270468      5.302495      6.752697
  H       3.849654      5.791621      7.138494
54
Coordinates from ORCA-job OWUKID-B3LYP+D4 E -1941.789451981884
  O       2.290019      2.759364      4.057981
  O       0.288632      1.951649      3.876980
  O       4.100368      8.596045      3.497670
  O       2.898864     10.348322      3.077185
  N       0.741525      5.378955      6.579395
  N       1.471103      4.600638      5.780647
  N       1.088730      2.750089      4.340933
  N       1.493851      7.791887      6.355567
  N       2.489933      7.872602      5.473704
  N       3.134576      9.332434      3.714205
  C       0.607880      3.732284      5.257893
  C      -0.701006      3.927856      5.709072
  H      -1.586462      3.375461      5.456986
  C      -0.564652      5.002806      6.558592
  H      -1.296046      5.525734      7.148533
  C       2.238284      8.970646      4.764260
  C       1.074212      9.627885      5.173719
  H       0.641236     10.530122      4.784761
  C       0.627858      8.828303      6.201995
  H      -0.237075      8.919210      6.834568
  B       1.331133      6.600837      7.346993
  Li      3.503058      4.203848      5.140115
  O       3.451864      5.590987      3.652006
  H       0.532017      6.927697      8.180346
  H       2.396984      6.313405      7.829529
  H       2.594278      5.831852      3.288404
  H       4.015065      5.341802      2.904552
  O       5.569225      8.381316      5.987823
  O       7.571198      9.185869      6.176356
  O       3.759233      2.539152      6.545860
  O       4.959677      0.786041      6.965872
  N       7.123253      5.759683      3.471716
  N       6.391834      6.538754      4.268046
  N       6.771511      8.388859      5.709200
  N       6.371051      3.346488      3.693389
  N       5.373008      3.264613      4.572995
  N       4.725381      1.803078      6.330123
  C       7.254195      7.406356      4.793503
  C       8.564322      7.209518      4.346533
  H       9.449476      7.761132      4.601373
  C       8.429691      6.134637      3.496644
  H       9.162494      5.611017      2.909071
  C       5.623781      2.166303      5.282320
  C       6.789126      1.509998      4.875018
  H       7.221798      0.607807      5.264416
  C       7.237341      2.310543      3.848305
  H       8.103781      2.220591      3.217662
  B       6.535206      4.537978      2.702664
  Li      4.358719      6.934609      4.902914
  O       4.411143      5.545975      6.390635
  H       7.335823      4.211543      1.870595
  H       5.470131      4.825295      2.218311
  H       5.268896      5.303786      6.753043
  H       3.849279      5.794237      7.139425
54
Coordinates from ORCA-job OWUKID-B3LYP+D4 E -1941.789459905101
  O       2.292172      2.755742      4.061847
  O       0.290641      1.948933      3.878310
  O       4.097407      8.595079      3.494560
  O       2.898922     10.350569      3.079012
  N       0.741419      5.378352      6.578398
  N       1.471903      4.598626      5.781823
  N       1.090457      2.747249      4.342905
  N       1.493220      7.791294      6.354808
  N       2.488092      7.871113      5.471487
  N       3.133272      9.332944      3.713658
  C       0.608855      3.730580      5.258241
  C      -0.700709      3.927673      5.706757
  H      -1.586101      3.375403      5.453366
  C      -0.565036      5.003523      6.555312
  H      -1.296830      5.528276      7.143514
  C       2.237604      8.970817      4.764136
  C       1.075741      9.630075      5.176553
  H       0.644085     10.533837      4.789154
  C       0.629269      8.829759      6.204279
  H      -0.234612      8.920976      6.838596
  B       1.330646      6.600186      7.346752
  Li      3.503519      4.202723      5.144190
  O       3.453185      5.588660      3.652748
  H       0.531763      6.927148      8.179375
  H       2.395391      6.313245      7.829969
  H       2.596173      5.830973      3.288550
  H       4.016705      5.340416      2.905036
  O       5.568048      8.384756      5.984373
  O       7.570285      9.188305      6.174426
  O       3.762834      2.540602      6.550057
  O       4.960739      0.784667      6.965373
  N       7.122983      5.760123      3.472215
  N       6.391085      6.540647      4.266718
  N       6.770607      8.391499      5.706972
  N       6.371175      3.347016      3.694053
  N       5.374716      3.266208      4.575550
  N       4.727180      1.802946      6.331444
  C       7.253567      7.407804      4.792709
  C       8.564181      7.209277      4.347922
  H       9.449430      7.760643      4.603768
  C       8.429752      6.133611      3.498937
  H       9.162641      5.608132      2.912749
  C       5.624551      2.166297      5.282796
  C       6.787602      1.507973      4.872266
  H       7.219132      0.604346      5.260116
  C       7.235446      2.308998      3.845696
  H       8.100541      2.218581      3.212920
  B       6.534926      4.538469      2.702662
  Li      4.358626      6.935863      4.899638
  O       4.409890      5.548619      6.390991
  H       7.335027      4.211806      1.871091
  H       5.470865      4.825330      2.217935
  H       5.266931      5.305156      6.754317
  H       3.846889      5.796054      7.139368
54
Coordinates from ORCA-job OWUKID-B3LYP+D4 E -1941.789466301648
  O       2.294508      2.753166      4.064853
  O       0.292956      1.946912      3.878860
  O       4.095579      8.593787      3.491609
  O       2.900251     10.352613      3.081222
  N       0.741615      5.377341      6.578078
  N       1.473015      4.596393      5.783487
  N       1.092450      2.744929      4.344480
  N       1.492970      7.790308      6.353865
  N       2.487095      7.869342      5.469582
  N       3.133169      9.333183      3.713443
  C       0.610160      3.728612      5.259056
  C      -0.700044      3.927104      5.705017
  H      -1.585342      3.374996      5.450148
  C      -0.564980      5.003370      6.553163
  H      -1.297453      5.529408      7.139752
  C       2.237874      8.970610      4.764067
  C       1.077784      9.631546      5.178720
  H       0.647451     10.536657      4.792484
  C       0.630960      8.830627      6.205850
  H      -0.232344      8.922403      6.841218
  B       1.330224      6.599458      7.346670
  Li      3.503748      4.201967      5.147917
  O       3.454652      5.586510      3.653836
  H       0.530897      6.926990      8.178417
  H       2.394329      6.313146      7.830787
  H       2.598028      5.829898      3.288585
  H       4.019218      5.339177      2.906420
  O       5.566719      8.386978      5.981857
  O       7.568990      9.190216      6.173080
  O       3.765368      2.542524      6.554156
  O       4.960369      0.783436      6.964360
  N       7.122463      5.760934      3.472074
  N       6.390085      6.542691      4.264979
  N       6.769476      8.393495      5.705252
  N       6.370894      3.347908      3.694840
  N       5.375588      3.268100      4.577769
  N       4.728146      1.803507      6.332877
  C       7.252670      7.409456      4.791508
  C       8.563697      7.209510      4.348612
  H       9.448995      7.760657      4.605553
  C       8.429421      6.133443      3.500100
  H       9.162674      5.606648      2.915166
  C       5.624438      2.166766      5.283299
  C       6.785312      1.506438      4.869894
  H       7.215555      0.601419      5.256443
  C       7.233203      2.307971      3.843716
  H       8.097423      2.216827      3.209502
  B       6.534601      4.539050      2.702498
  Li      4.358804      6.936719      4.896842
  O       4.408476      5.551079      6.391157
  H       7.334862      4.211704      1.871564
  H       5.471086      4.825408      2.217222
  H       5.264991      5.306709      6.755884
  H       3.843727      5.797855      7.138612
54
Coordinates from ORCA-job OWUKID-B3LYP+D4 E -1941.789471133362
  O       2.296868      2.751375      4.067300
  O       0.295353      1.945521      3.878934
  O       4.094109      8.592075      3.488807
  O       2.901864     10.354113      3.083376
  N       0.741867      5.376203      6.578269
  N       1.474138      4.594211      5.785445
  N       1.094482      2.743267      4.345629
  N       1.492998      7.789345      6.353291
  N       2.486588      7.867664      5.468278
  N       3.133312      9.332894      3.713240
  C       0.611494      3.726784      5.259994
  C      -0.699288      3.926430      5.703664
  H      -1.584427      3.374585      5.447367
  C      -0.564904      5.003118      6.551360
  H      -1.298297      5.530023      7.136171
  C       2.238495      8.970200      4.764186
  C       1.079934      9.632628      5.180682
  H       0.650875     10.538873      4.795493
  C       0.632605      8.831199      6.207170
  H      -0.230348      8.923786      6.843028
  B       1.329672      6.598771      7.346670
  Li      3.503826      4.201484      5.151330
  O       3.455775      5.584463      3.655160
  H       0.529304      6.927022      8.177548
  H       2.393644      6.312935      7.831853
  H       2.599421      5.828693      3.288931
  H       4.021516      5.337837      2.908311
  O       5.565300      8.388314      5.979852
  O       7.567512      9.191476      6.172265
  O       3.767488      2.544852      6.557946
  O       4.959889      0.782984      6.963670
  N       7.121941      5.761838      3.471463
  N       6.389087      6.544616      4.262983
  N       6.768198      8.394971      5.703747
  N       6.370414      3.348784      3.695297
  N       5.376045      3.269941      4.579425
  N       4.728307      1.804087      6.333625
  C       7.251719      7.411011      4.790126
  C       8.563126      7.209844      4.348970
  H       9.448399      7.760673      4.606985
  C       8.429088      6.133450      3.500866
  H       9.162961      5.605810      2.917320
  C       5.623838      2.167295      5.283439
  C       6.783134      1.505488      4.868016
  H       7.212205      0.599374      5.253497
  C       7.231004      2.307174      3.841970
  H       8.094526      2.214977      3.206829
  B       6.534480      4.539580      2.702266
  Li      4.359107      6.937264      4.894345
  O       4.407349      5.553416      6.391063
  H       7.335499      4.211410      1.871962
  H       5.470979      4.825610      2.216308
  H       5.263432      5.308377      6.757233
  H       3.840897      5.799788      7.137443
54
Coordinates from ORCA-job OWUKID-B3LYP+D4 E -1941.789474051976
  O       2.298588      2.750377      4.068921
  O       0.297113      1.944791      3.878843
  O       4.092923      8.590473      3.486795
  O       2.902782     10.354663      3.084641
  N       0.741970      5.375396      6.578603
  N       1.474849      4.592685      5.787011
  N       1.096027      2.742151      4.346580
  N       1.493153      7.788812      6.353285
  N       2.486381      7.866647      5.467786
  N       3.133455      9.332479      3.713243
  C       0.612407      3.725559      5.260715
  C      -0.698842      3.926163      5.702534
  H      -1.583853      3.374750      5.445158
  C      -0.564974      5.003006      6.550075
  H      -1.299162      5.530176      7.133507
  C       2.239016      8.969914      4.764511
  C       1.081265      9.633162      5.181964
  H       0.652997     10.540006      4.797502
  C       0.633735      8.831633      6.208239
  H      -0.228915      8.925077      6.844244
  B       1.329097      6.598327      7.346618
  Li      3.503804      4.201252      5.153743
  O       3.456246      5.582878      3.656318
  H       0.527673      6.927055      8.176919
  H       2.393274      6.312612      7.832677
  H       2.600145      5.827534      3.289477
  H       4.022859      5.336609      2.910060
  O       5.564195      8.388891      5.978576
  O       7.566264      9.192281      6.171690
  O       3.769154      2.546976      6.560691
  O       4.959318      0.782826      6.962976
  N       7.121701      5.762466      3.470878
  N       6.388493      6.545911      4.261441
  N       6.767180      8.395775      5.702768
  N       6.369960      3.349203      3.695188
  N       5.376246      3.271060      4.580144
  N       4.728961      1.805313      6.334713
  C       7.251084      7.412010      4.789163
  C       8.562777      7.210051      4.349262
  H       9.447982      7.760507      4.608014
  C       8.429014      6.133421      3.501447
  H       9.163499      5.605531      2.919038
  C       5.623521      2.167846      5.283519
  C       6.781482      1.504729      4.866453
  H       7.209663      0.597888      5.251016
  C       7.229507      2.306546      3.840622
  H       8.092535      2.213348      3.205095
  B       6.534642      4.539908      2.702176
  Li      4.359407      6.937509      4.892593
  O       4.406895      5.555203      6.390757
  H       7.336507      4.211199      1.872273
  H       5.470837      4.825967      2.215633
  H       5.262592      5.309884      6.757983
  H       3.839370      5.801461      7.136319
54
Coordinates from ORCA-job OWUKID-B3LYP+D4 E -1941.789475531209
  O       2.299339      2.750031      4.069590
  O       0.297966      1.944276      3.879101
  O       4.092094      8.589420      3.485841
  O       2.903039     10.354665      3.085154
  N       0.741874      5.375117      6.578732
  N       1.475010      4.592040      5.787744
  N       1.096683      2.741839      4.346855
  N       1.493311      7.788786      6.353690
  N       2.486337      7.866433      5.467955
  N       3.133246      9.331993      3.713147
  C       0.612686      3.725190      5.260856
  C      -0.698805      3.926261      5.701765
  H      -1.583782      3.375249      5.443898
  C      -0.565192      5.003118      6.549313
  H      -1.299807      5.530169      7.132075
  C       2.239169      8.969829      4.764843
  C       1.081754      9.633440      5.182702
  H       0.653767     10.540464      4.798677
  C       0.634152      8.831916      6.208917
  H      -0.228303      8.925886      6.844885
  B       1.328705      6.598152      7.346515
  Li      3.503706      4.201195      5.154901
  O       3.456116      5.581959      3.657061
  H       0.526749      6.926946      8.176637
  H       2.393093      6.312232      7.832998
  H       2.600265      5.826628      3.289967
  H       4.023154      5.335739      2.911205
  O       5.563704      8.388955      5.978059
  O       7.565609      9.192769      6.171167
  O       3.770178      2.548251      6.561904
  O       4.959414      0.783217      6.963020
  N       7.121751      5.762636      3.470620
  N       6.388389      6.546386      4.260732
  N       6.766692      8.396073      5.702262
  N       6.369732      3.349171      3.694796
  N       5.376374      3.271364      4.580167
  N       4.729000      1.805659      6.334693
  C       7.250901      7.412327      4.788799
  C       8.562764      7.209951      4.349595
  H       9.447955      7.760056      4.608665
  C       8.429150      6.133330      3.501754
  H       9.163980      5.605619      2.919857
  C       5.623358      2.167923      5.283261
  C       6.781091      1.504551      4.865916
  H       7.209037      0.597569      5.250083
  C       7.228923      2.306107      3.839825
  H       8.091607      2.212241      3.204156
  B       6.534872      4.539987      2.702231
  Li      4.359627      6.937539      4.891768
  O       4.407004      5.556218      6.390416
  H       7.337137      4.211173      1.872399
  H       5.470773      4.826303      2.215443
  H       5.262363      5.310995      6.758223
  H       3.839088      5.802555      7.135570
54
Coordinates from ORCA-job OWUKID-B3LYP+D4 E -1941.789476461939
  O       2.299477      2.749944      4.069779
  O       0.298210      1.943870      3.879525
  O       4.091493      8.588818      3.485564
  O       2.902874     10.354432      3.085224
  N       0.741692      5.375161      6.578656
  N       1.474884      4.591905      5.787916
  N       1.096845      2.741623      4.347107
  N       1.493385      7.788961      6.354177
  N       2.486306      7.866600      5.468352
  N       3.133010      9.331750      3.713226
  C       0.612626      3.725198      5.260764
  C      -0.698990      3.926557      5.701209
  H      -1.584024      3.375839      5.443218
  C      -0.565474      5.003474      6.548704
  H      -1.300258      5.530447      7.131170
  C       2.239098      8.969891      4.765167
  C       1.081650      9.633493      5.183012
  H       0.653585     10.540468      4.799164
  C       0.634132      8.832059      6.209327
  H      -0.228203      8.926229      6.845283
  B       1.328522      6.598098      7.346459
  Li      3.503579      4.201199      5.155366
  O       3.455784      5.581420      3.657534
  H       0.526538      6.926716      8.176647
  H       2.392972      6.311875      7.833015
  H       2.600189      5.825862      3.290227
  H       4.023083      5.335134      2.911954
  O       5.563629      8.388845      5.977984
  O       7.565352      9.193244      6.170571
  O       3.770873      2.548978      6.562316
  O       4.959476      0.783408      6.962938
  N       7.121947      5.762546      3.470655
  N       6.388553      6.546409      4.260605
  N       6.766570      8.396205      5.702010
  N       6.369666      3.348940      3.694329
  N       5.376488      3.271233      4.579876
  N       4.729407      1.806082      6.334870
  C       7.250985      7.412305      4.788810
  C       8.562922      7.209798      4.349859
  H       9.448148      7.759708      4.608910
  C       8.429407      6.133066      3.502127
  H       9.164386      5.605490      2.920452
  C       5.623526      2.167929      5.283089
  C       6.781109      1.504376      4.865554
  H       7.209071      0.597388      5.249484
  C       7.228893      2.305855      3.839389
  H       8.091413      2.211726      3.203676
  B       6.535032      4.539979      2.702298
  Li      4.359810      6.937490      4.891483
  O       4.407351      5.556792      6.390111
  H       7.337245      4.211327      1.872338
  H       5.470819      4.826617      2.215527
  H       5.262421      5.311880      6.758307
  H       3.839317      5.803259      7.135087
