XYZ coordinates of the optimized structure at the HSE06/6-31+G* level
Zn	0.571555 -2.948515 2.748254
Zn	-0.600922 -1.811945 -0.149452
Zn	-2.282340 -1.115613 2.645812
Zn	0.455226 0.197385 2.324843
O	-0.499846 -1.473989 1.827518
O	-7.420497 -5.749960 -0.682408
O	-0.772480 -4.421811 2.207484
O	-0.452633 -2.793067 4.585124
O	1.829644 0.224700 0.763193
O	-10.421781 -10.716205 -3.894294
O	-0.654076 1.825354 1.889614
O	1.449228 -1.631314 -0.504342
O	-12.290057 -10.149297 -5.028957
O	-2.672805 0.840198 2.265913
O	-2.752812 -1.734763 -0.307909
O	11.909265 7.069408 -1.100715
O	-3.929598 -1.723058 1.630136
O	13.894107 6.032777 -1.573953
O	-7.437164 -4.585900 1.266183
O	-0.560688 -3.894503 0.006614
O	-2.650222 -2.444661 4.139723
O	2.039926 0.182404 3.570264
O	11.028056 -6.263779 -3.065132
O	14.122542 6.273757 2.032535
O	2.267595 -2.073606 3.419060
O	13.111210 -5.345049 -3.243969
O	13.595818 6.227223 4.259850
C	-6.806796 -5.274926 0.288256
C	-1.223266 -4.437302 1.001886
C	-1.712527 -3.141536 4.674747
C	-5.320019 -5.363426 0.442069
C	-2.580306 -4.972694 0.761534
C	-2.073305 -4.367381 5.424775
C	-4.742880 -5.484997 1.717690
C	-3.132334 -4.986097 -0.530570
C	-1.414581 -6.292888 6.739249
H	-5.368448 -5.660315 2.585586
H	-2.493206 -4.759115 -1.377268
H	-0.621178 -6.894261 7.177031
C	-4.502654 -5.207552 -0.690090
C	-3.370638 -5.304536 1.874118
C	-1.071757 -5.128180 6.047274
H	-4.965953 -5.185275 -1.670635
H	-2.909512 -5.337895 2.853365
H	-0.040467 -4.800824 5.968848
C	2.200816 -0.670687 -0.109356
C	-11.323111 -9.775964 -4.362866
C	-1.960539 1.856007 1.942938
C	3.580590 -0.564721 -0.656811
C	-11.047475 -8.348348 -4.028461
C	-2.645494 3.125792 1.600712
C	4.533848 0.242639 -0.015262
C	-10.181268 -7.951371 -2.992189
C	-1.915223 4.305873 1.374130
H	4.251585 0.773607 0.885966
H	-9.692984 -8.680771 -2.348633
H	-0.835349 4.300281 1.482089
C	5.831449 0.338104 -0.517504
C	-9.964906 -6.597422 -2.723497
C	11.419214 -2.220369 -4.498421
C	-12.443666 0.198685 -2.296458
H	6.563306 0.925058 0.028659
H	-9.308533 -6.317311 -1.904077
H	12.044352 -1.539355 -3.929733
H	-11.798070 0.263922 -1.425746
C	6.204894 -0.331917 -1.702286
C	-10.616423 -5.604835 -3.486338
C	10.019231 -2.059152 -4.491699
C	-12.273660 -0.863468 -3.209874
C	5.235303 -1.140718 -2.338036
C	-11.493169 -6.010118 -4.514097
C	9.241355 -2.975780 -5.229059
C	-13.163025 -0.950940 -4.299959
H	5.479491 -1.643826 -3.268886
H	-11.988372 -5.262385 -5.127068
H	8.164917 -2.844470 -5.289865
H	-13.049784 -1.754944 -5.021025
C	3.945659 -1.271097 -1.816092
C	-11.712350 -7.361988 -4.778371
C	9.837870 -4.045506 -5.899005
C	-14.173863 -0.003615 -4.482716
H	3.202137 -1.892040 -2.306498
H	-12.388591 -7.678120 -5.566673
H	9.241757 -4.752078 -6.468469
H	-14.855806 -0.131553 -5.321132
C	7.560360 -0.159092 -2.286179
C	-10.382670 -4.169784 -3.196395
C	9.397454 -0.980005 -3.688179
C	-11.192503 -1.860979 -3.027648
C	8.133144 -1.154316 -3.099344
C	-11.398709 -3.211886 -3.363792
H	7.614757 -2.098921 -3.233528
H	-12.383649 -3.531290 -3.693191
C	8.300452 1.011579 -2.039366
C	-9.137725 -3.750229 -2.697994
C	10.088052 0.220331 -3.456683
C	-9.945902 -1.472695 -2.502066
H	7.882989 1.774059 -1.390694
H	-8.347172 -4.475022 -2.531713
H	11.027474 0.392535 -3.971440
H	-9.759701 -0.430083 -2.257953
C	9.565765 1.218059 -2.616460
C	-8.915884 -2.411366 -2.341860
C	10.338765 2.456812 -2.351160
C	-7.608280 -2.052632 -1.745734
C	11.832905 4.799843 -1.813038
C	-5.141707 -1.720128 -0.431932
C	10.432869 4.813082 -1.700989
C	-5.179990 -2.250594 -1.733016
C	12.485918 3.619866 -2.209405
C	-6.328989 -1.271360 0.171045
H	9.933933 5.728215 -1.402349
H	-4.250690 -2.559596 -2.200450
H	13.568657 3.623670 -2.293519
H	-6.290665 -0.841750 1.165927
C	9.699202 3.657084 -1.975221
C	-6.405455 -2.434128 -2.374225
C	11.747815 2.464163 -2.462877
C	-7.549870 -1.420953 -0.489085
H	8.616247 3.697844 -1.915200
H	-6.443938 -2.892821 -3.358035
H	-8.472479 -1.124886 0.000931
C	-3.865258 -1.716491 0.318913
C	12.656827 5.985701 -1.504256
C	2.765702 -0.888262 3.542627
C	11.963114 -5.318529 -2.745320
C	13.496018 5.722600 3.131541
C	4.242121 -0.743995 3.506346
C	11.471651 -4.285157 -1.827156
C	12.720923 4.510685 2.798206
C	4.822925 0.534182 3.463744
C	10.097095 -4.125912 -1.581808
C	12.722038 3.963739 1.503850
H	4.186637 1.399544 3.619703
H	9.391605 -4.803214 -2.050265
H	13.314598 4.435887 0.728185
C	6.172104 0.677753 3.133458
C	9.652574 -3.081724 -0.774193
C	11.962964 2.824628 1.229443
H	6.586491 1.676127 3.026945
H	8.584543 -2.944882 -0.644898
H	11.939517 2.435418 0.217062
C	6.970499 -0.450013 2.846231
C	10.558538 -2.191607 -0.155764
C	11.196001 2.204576 2.235457
C	6.400262 -1.730903 3.010379
C	11.215032 2.756207 3.534783
C	11.937312 -2.373809 -0.405655
H	7.012134 -2.616849 2.870354
H	10.660453 2.273055 4.334012
H	12.665656 -1.730206 0.077315
C	5.050459 -1.878769 3.327687
C	11.966855 3.897561 3.814927
C	12.389756 -3.396074 -1.241037
H	4.595056 -2.861245 3.401754
H	11.990176 4.323944 4.813219
H	13.449306 -3.526238 -1.439592
C	8.332455 -0.294429 2.280820
C	10.071269 -1.124303 0.755261
C	10.378578 1.003473 1.934816
C	9.128865 0.829505 2.555548
C	8.822652 -1.259634 1.385638
C	10.833430 0.026232 1.030373
H	8.773980 1.584785 3.250381
H	8.209563 -2.126937 1.170750
H	11.794031 0.169923 0.545152
C	-3.417675 -4.778365 5.480932
C	-2.760682 -6.699092 6.811482
C	-4.047810 3.146374 1.494280
C	-2.580726 5.487363 1.042385
C	12.020670 -3.292025 -5.160288
C	-13.453323 1.144278 -2.472841
C	11.229623 -4.235217 -5.836925
C	-14.320084 1.063721 -3.577407
C	-3.757883 -5.944819 6.166135
H	-4.167911 -4.181859 4.971435
C	-3.188192 -7.944653 7.523498
H	-4.595834 2.225211 1.664423
C	-4.707943 4.329543 1.161142
H	-2.010219 6.400316 0.899317
C	-3.986330 5.519662 0.928489
H	13.100589 -3.396934 -5.127837
H	-13.597681 1.950482 -1.760139
C	11.808050 -5.452845 -6.482494
C	-15.377863 2.108193 -3.707270
H	-4.784395 -6.294827 6.210342
O	-2.342842 -8.421645 8.507425
O	-4.234717 -8.541217 7.276711
H	-5.788356 4.328059 1.049651
C	-4.688900 6.776426 0.575872
O	12.939546 -5.979631 -5.907203
O	11.293571 -6.006642 -7.458486
O	-15.739796 2.833756 -2.780711
O	-15.965091 2.255955 -4.952728
C	-5.919022 7.099046 1.174989
C	-4.134602 7.666246 -0.360776
C	-6.593317 8.290170 0.853247
H	-6.324915 6.445910 1.942397
C	-4.790167 8.861757 -0.704413
H	-3.212409 7.398603 -0.868894
C	-7.874902 8.632206 1.515932
C	-6.018481 9.160527 -0.089154
C	-4.203912 9.782059 -1.708499
C	-8.176379 9.965203 1.860287
C	-8.815739 7.630338 1.833621
H	-6.532108 10.082457 -0.346854
C	-5.026699 10.478937 -2.617771
C	-2.808197 9.979043 -1.775051
C	-9.381046 10.289238 2.490493
H	-7.447096 10.747335 1.671159
C	-10.014446 7.947594 2.472706
H	-8.615272 6.599198 1.557867
H	-6.100559 10.316741 -2.603669
C	-4.476890 11.346424 -3.564201
H	-2.159880 9.473859 -1.064991
C	-2.252225 10.843312 -2.718565
C	-10.315486 9.282418 2.794841
H	-9.552256 11.322268 2.785686
H	-10.735508 7.176693 2.726569
H	-5.110740 11.874345 -4.268031
C	-3.084540 11.532506 -3.618637
H	-1.179828 11.005221 -2.769759
C	-11.605682 9.558590 3.493488
C	-2.455109 12.437785 -4.601324
O	-12.098518 10.849115 3.404659
O	-12.232547 8.711573 4.128839
O	-3.372200 13.057697 -5.425037
O	-1.237714 12.647334 -4.708979
H	-9.613070 -10.331421 -3.505391
H	-15.511756 1.768206 -5.666609
H	13.183693 -5.640517 -5.005793
H	12.490517 7.822317 -0.866534
H	-6.849847 -4.001876 1.870313
H	11.370529 -6.923443 -3.706372
H	-1.633518 -7.800719 8.762202
H	-11.653118 11.398630 2.731415
H	-2.920785 13.648075 -6.063548
H	14.661697 7.050147 2.289926
H	12.275511 1.553085 -2.726916
H	-0.463716 -1.092267 4.570900
H	-0.867768 0.478805 4.890065
O	-0.768199 -0.204854 4.208184
H	-6.337709 -2.596929 3.530467
H	-5.177076 -2.580698 2.377041
O	-5.986741 -3.042805 2.744768
H	0.862054 1.728055 -3.091393
H	0.682051 2.068552 -1.452200
O	0.439229 1.481791 -2.258145
H	0.308911 2.635086 0.559855
H	1.674192 1.908451 0.238999
O	1.051045 2.604212 -0.089033
H	2.601488 -3.414622 1.004140
H	1.150698 -3.991506 0.524496
O	1.767173 -3.820625 1.286747
H	-0.309525 0.292417 -1.965391
H	-1.847657 -0.393814 -1.825294
O	-0.903552 -0.486411 -1.620094
 
