XYZ coordinates of the optimized structure at the HSE06/6-31+G* level
Zn	1.036408 -1.507782 3.201861
Zn	3.051607 0.143890 1.101572
Zn	-0.025793 1.227187 1.591926
Zn	0.501183 -1.505656 -0.063274
O	1.108188 -0.415368 1.494133
O	8.572268 2.659830 6.872512
O	2.713192 -0.973908 4.283610
O	0.082945 -0.058414 4.477686
O	1.789672 -3.095348 -0.420499
O	12.654442 8.759948 -2.426331
O	-1.295713 -1.177775 -1.082330
O	3.495332 -1.665459 0.009821
O	12.298378 10.660812 -3.592964
O	-1.087708 0.920794 -0.292361
O	2.440123 1.770085 -0.236030
O	4.918437 -12.223026 -8.452103
O	0.698975 2.888897 0.708913
O	6.202320 -13.856864 -7.493531
O	7.055792 2.691718 8.541679
O	4.230489 -0.832709 2.603226
O	0.784963 1.859731 3.506957
O	-0.778306 -2.887887 1.050100
O	-10.768601 -10.031698 6.202173
O	-13.662100 -0.452093 -2.905921
O	-0.860164 -2.326093 3.255114
O	-12.663372 -8.814294 6.606997
O	-12.735585 1.527825 -2.247444
C	7.451996 2.339373 7.289254
C	3.861456 -0.608811 3.836830
C	0.680312 1.091461 4.534542
C	6.494866 1.552013 6.441385
C	4.794798 0.102681 4.745795
C	1.303655 1.497225 5.824697
C	5.493149 0.727987 6.985423
C	5.812985 0.904198 4.200457
C	1.685423 1.039722 8.174116
H	5.389457 0.628715 8.061552
H	5.907355 0.980160 3.123608
H	1.521369 0.409054 9.044849
C	6.656332 1.624901 5.045247
C	4.640735 0.011393 6.138378
C	1.061641 0.719096 6.967832
H	7.448257 2.250541 4.646681
H	3.849989 -0.615588 6.537844
H	0.409772 -0.142954 6.880559
C	3.067384 -2.798024 -0.375042
C	11.817003 9.728862 -2.948687
C	-1.747785 0.037255 -0.941318
C	4.036459 -3.831898 -0.828745
C	10.353746 9.570548 -2.694734
C	-3.087571 0.385341 -1.480633
C	3.624168 -5.144815 -1.104679
C	9.832719 8.772745 -1.659442
C	-3.998645 -0.609845 -1.875096
H	2.586512 -5.424478 -0.958620
H	10.487175 8.256960 -0.959746
H	-3.691713 -1.651018 -1.889821
C	4.548898 -6.094878 -1.547213
C	8.451280 8.677863 -1.469265
C	11.209946 -8.933510 -1.442583
C	1.903217 11.731738 -1.404999
H	4.219276 -7.114082 -1.726211
H	8.066366 8.089203 -0.641800
H	10.700755 -9.879299 -1.602445
H	1.695693 11.039174 -0.594636
C	5.904641 -5.757136 -1.733378
C	7.556187 9.376546 -2.303879
C	10.522122 -7.724769 -1.671210
C	3.013995 11.507993 -2.245332
C	6.309445 -4.434580 -1.446640
C	8.089619 10.186036 -3.328304
C	11.188936 -6.513597 -1.391476
C	3.287987 12.452381 -3.254652
H	7.344125 -4.143403 -1.604951
H	7.418166 10.719181 -3.995011
H	10.687060 -5.569038 -1.579340
H	4.132853 12.298920 -3.919498
C	5.389243 -3.487968 -0.993651
C	9.467781 10.288242 -3.517489
C	12.496804 -6.509330 -0.906158
C	2.472957 13.573895 -3.430479
H	5.694523 -2.469950 -0.775172
H	9.881564 10.914530 -4.301797
H	13.009103 -5.578357 -0.683666
H	2.741106 14.294031 -4.200758
C	6.880430 -6.762488 -2.219350
C	6.090872 9.271940 -2.103897
C	9.130958 -7.728476 -2.183776
C	3.875830 10.314810 -2.066675
C	8.202112 -6.770983 -1.739537
C	5.264517 10.396950 -2.270944
H	8.495179 -6.061161 -0.971097
H	5.714631 11.358023 -2.503321
C	6.495380 -7.735320 -3.158573
C	5.506062 8.050556 -1.727649
C	8.718419 -8.689839 -3.123018
C	3.317186 9.080811 -1.689381
H	5.476628 -7.738634 -3.535441
H	6.136339 7.175212 -1.597686
H	9.443234 -9.397459 -3.515659
H	2.239597 8.993671 -1.582011
C	7.402641 -8.705481 -3.618505
C	4.120477 7.939866 -1.517284
C	6.984833 -9.716131 -4.619997
C	3.517490 6.639472 -1.137861
C	6.189979 -11.642989 -6.523362
C	2.386218 4.157226 -0.397830
C	5.689774 -10.331310 -6.597441
C	3.450373 4.202248 -1.313937
C	7.087296 -11.991075 -5.497947
C	1.882589 5.353951 0.141316
H	5.004729 -10.068922 -7.395981
H	3.796123 3.277134 -1.760058
H	7.456821 -13.010942 -5.450866
H	1.081412 5.302261 0.872400
C	6.086112 -9.380889 -5.654083
C	4.005120 5.430964 -1.680049
C	7.478006 -11.036855 -4.558208
C	2.444860 6.580439 -0.223509
H	5.718166 -8.362396 -5.736965
H	4.801456 5.457048 -2.418646
H	2.077357 7.495876 0.232015
C	1.823718 2.847825 0.032893
C	5.801702 -12.683412 -7.496889
C	-1.421438 -2.712182 2.164568
C	-11.547030 -8.898985 6.073975
C	-12.774941 0.286511 -2.161925
C	-2.897649 -2.919454 2.187029
C	-10.905666 -7.849668 5.256587
C	-11.917323 -0.541029 -1.296273
C	-3.642998 -2.702420 1.019222
C	-9.633952 -8.026806 4.684016
C	-12.096091 -1.932984 -1.206637
H	-3.127387 -2.406171 0.115962
H	-9.108704 -8.963008 4.837240
H	-12.870481 -2.408085 -1.798525
C	-5.029558 -2.849077 1.028540
C	-9.067332 -7.005964 3.917872
C	-11.271565 -2.686977 -0.371219
H	-5.583801 -2.695029 0.107506
H	-8.098029 -7.163322 3.453755
H	-11.403865 -3.763698 -0.318247
C	-5.709870 -3.230612 2.201810
C	-9.752872 -5.791253 3.707454
C	-10.245718 -2.074493 0.380311
C	-4.953136 -3.435513 3.376505
C	-10.064992 -0.680023 0.266728
C	-11.028437 -5.627565 4.288432
H	-5.457245 -3.702860 4.301042
H	-9.291721 -0.187960 0.849425
H	-11.559872 -4.688734 4.162815
C	-3.563501 -3.275051 3.374105
C	-10.898159 0.082006 -0.553785
C	-11.600555 -6.643760 5.054349
H	-2.982081 -3.439003 4.277405
H	-10.769829 1.156945 -0.625688
H	-12.578003 -6.520700 5.510767
C	-7.178017 -3.439611 2.176970
C	-9.148226 -4.709628 2.892827
C	-9.385956 -2.887076 1.274600
C	-8.003250 -2.649974 1.355201
C	-7.765419 -4.461249 2.943359
C	-9.946077 -3.919415 2.047310
H	-7.565874 -1.849836 0.763875
H	-7.138227 -5.076682 3.581732
H	-11.013961 -4.109478 1.987900
C	2.176990 2.594968 5.885664
C	2.590124 2.117992 8.224429
C	-3.477225 1.736518 -1.525081
C	-5.305429 -0.265919 -2.226599
C	12.523740 -8.933978 -0.966351
C	1.090680 12.853101 -1.572762
C	13.183649 -7.719220 -0.704267
C	1.357744 13.778144 -2.597437
C	2.842946 2.888625 7.077232
H	2.350420 3.188657 4.995485
C	3.363913 2.393081 9.462221
H	-2.745573 2.505521 -1.286386
C	-4.776540 2.072815 -1.908886
H	-6.008633 -1.056076 -2.473329
C	-5.728330 1.080788 -2.231589
H	13.000019 -9.889519 -0.756865
H	0.249000 13.039417 -0.912806
C	14.579468 -7.649229 -0.179158
C	0.455037 14.961374 -2.719175
H	3.562786 3.699701 7.125468
O	2.710299 2.229862 10.654676
O	4.552911 2.729157 9.471908
H	-5.048218 3.122046 -1.974681
C	-7.130114 1.447376 -2.553741
O	15.380739 -8.759045 -0.386007
O	15.038304 -6.672114 0.411634
O	-0.272056 15.360840 -1.810279
O	0.452908 15.624697 -3.934219
C	-7.692953 2.627525 -2.030818
C	-7.935541 0.620684 -3.358450
C	-9.012488 3.007369 -2.329897
H	-7.114374 3.231687 -1.338630
C	-9.267273 0.963089 -3.647608
H	-7.517583 -0.279890 -3.798642
C	-9.602663 4.237278 -1.747824
C	-9.785226 2.170436 -3.151896
C	-10.144401 0.050543 -4.417157
C	-10.974161 4.285913 -1.419254
C	-8.808949 5.375217 -1.492094
H	-10.814320 2.435095 -3.367465
C	-11.101403 0.552621 -5.323478
C	-10.077414 -1.343017 -4.209074
C	-11.530363 5.439841 -0.860507
H	-11.604635 3.415128 -1.576681
C	-9.362079 6.524121 -0.926872
H	-7.756492 5.369196 -1.760247
H	-11.149956 1.620808 -5.512515
C	-11.974206 -0.307157 -5.992975
H	-9.374467 -1.742742 -3.484009
C	-10.946823 -2.207384 -4.874315
C	-10.732555 6.573180 -0.616745
H	-12.581158 5.417660 -0.578220
H	-8.752177 7.398943 -0.723353
H	-12.704844 0.079864 -6.694936
C	-11.905450 -1.693151 -5.764485
H	-10.913429 -3.278906 -4.702677
C	-11.263793 7.827473 -0.007563
C	-12.825936 -2.639180 -6.423736
O	-12.631062 8.030470 -0.086533
O	-10.558546 8.671721 0.545619
O	-13.748037 -2.012729 -7.239912
O	-12.815842 -3.871284 -6.284500
H	12.191425 7.974658 -2.076965
H	0.910689 15.145081 -4.650901
H	15.010139 -9.404915 -1.017631
H	4.684180 -12.938207 -9.079519
H	6.092767 2.637029 8.773850
H	-11.225785 -10.704626 6.748198
H	1.743717 2.114415 10.561097
H	-13.089673 7.409415 -0.684400
H	-14.333870 -2.672193 -7.666510
H	-14.183917 0.120447 -3.505348
H	8.147289 -11.323116 -3.752100
H	4.977540 -3.958242 2.581083
H	4.392175 -2.426150 2.316634
O	4.218046 -3.414461 2.331709
H	-0.719961 4.691996 -1.483068
H	-0.471991 3.488861 -0.426732
O	-0.870445 3.749906 -1.300428
H	-2.300769 0.771645 3.063147
H	-2.606424 1.499056 1.566884
O	-1.939473 1.268443 2.231251
H	1.213264 -3.690646 1.832474
H	2.724476 -3.529042 2.516478
O	1.729973 -3.321851 2.572661
H	1.279016 -1.084446 -2.606475
H	2.276107 -0.169781 -1.691630
O	1.354323 -0.543817 -1.756851
H	2.385961 2.096234 2.889846
H	3.907130 2.400142 2.164856
O	3.189075 1.745266 2.445934
H	4.507585 0.517612 -1.000682
H	5.511831 -0.034377 0.286610
O	4.861199 0.644803 0.038265
H	3.601116 1.066839 -2.785684
H	4.108874 -0.558022 -2.715700
O	3.954205 0.301021 -2.193971
H	1.816992 2.098420 -3.273069
H	2.959437 2.296479 -4.499873
O	2.811640 2.050811 -3.576190
H	5.101514 3.732949 0.782246
H	5.114295 2.084501 0.643265
O	5.099511 2.889111 1.260082
H	-0.105849 2.574894 -2.290353
H	0.532737 1.058220 -2.182221
O	0.487322 1.893526 -2.705932
H	-1.702736 -2.718686 -1.554362
H	-1.561853 -3.926364 -0.556088
O	-1.663876 -3.712884 -1.508254
H	1.005211 -3.055960 -3.389188
H	0.978340 -1.900143 -4.684254
O	1.395151 -2.142174 -3.842006
H	-0.344290 -4.107964 -2.316816
H	1.157341 -3.933503 -1.733662
O	0.635589 -4.064018 -2.572958
H	-2.989395 -0.938720 4.106038
H	-1.555657 -0.278192 4.480347
O	-2.506070 -0.104325 4.228390
H	4.484746 -2.660729 -3.429219
H	2.977253 -2.052406 -3.753394
O	3.943326 -1.862515 -3.523111
 
