XYZ coordinates of the optimized structure at the HSE06/6-31+G* level
Zn	1.511758 -0.123689 -2.520264
Zn	1.473845 0.071279 0.771450
Zn	-0.616186 -1.989736 -0.776898
Zn	-1.083814 1.280746 -0.914846
O	0.325866 -0.187962 -0.885207
O	10.464292 -0.250673 -0.344544
O	3.399995 0.461436 -1.992842
O	0.197054 -0.802181 -3.996003
O	-0.980527 1.971775 1.031096
O	13.039889 -0.633644 0.170147
O	-2.895201 0.412047 -0.581592
O	0.031643 0.346586 2.246734
O	14.537537 -1.906157 1.298693
O	-2.563254 -1.719253 -1.299076
O	1.578210 -1.886053 1.377317
O	-13.360260 1.621837 3.064276
O	0.861600 -3.304396 -0.243189
O	-14.051708 2.745605 4.940320
O	10.463821 1.271602 -1.991282
O	3.470065 0.052176 0.246500
O	-0.255054 -2.661595 -2.772130
O	0.058827 2.943940 -1.423658
O	12.656988 1.917706 0.525156
O	7.699001 14.609717 -0.624463
O	1.042281 1.816684 -3.129980
O	13.917074 3.123220 -0.973153
O	6.123085 14.693735 -2.281582
C	9.807049 0.510898 -1.070567
C	4.032487 0.316664 -0.879918
C	-0.520753 -1.839604 -3.744595
C	8.322972 0.571832 -1.015707
C	5.525453 0.445782 -0.910229
C	-1.760820 -2.068266 -4.536789
C	7.558704 0.963057 -2.132538
C	6.287096 0.083063 0.214426
C	-3.469429 -1.217395 -6.033280
H	8.038735 1.266069 -3.059930
H	5.768312 -0.248260 1.107620
H	-3.794956 -0.454546 -6.737691
C	7.682022 0.128552 0.156375
C	6.163867 0.888413 -2.080960
C	-2.208194 -1.091751 -5.443483
H	8.290370 -0.187407 0.998193
H	5.552645 1.140015 -2.940615
H	-1.559236 -0.251998 -5.673539
C	-0.942060 1.172726 2.060437
C	13.440289 -1.820473 0.743566
C	-3.322684 -0.692049 -1.101370
C	-2.060973 1.199970 3.028459
C	12.441978 -2.928755 0.682663
C	-4.740520 -0.772160 -1.542987
C	-3.178756 2.015952 2.782786
C	11.487909 -3.009510 -0.345485
C	-5.613122 0.312629 -1.345169
H	-3.188773 2.625298 1.885354
H	11.530291 -2.330813 -1.190271
H	-5.242191 1.191855 -0.827635
C	-4.240650 2.036318 3.687332
C	10.468500 -3.958658 -0.279849
C	-6.693227 1.786208 10.500626
C	7.210594 -10.189919 1.073836
H	-5.083898 2.696064 3.505679
H	9.721948 -4.004726 -1.067499
H	-7.444211 2.487733 10.149673
H	6.451065 -9.812064 0.395855
C	-4.215870 1.241256 4.853508
C	10.385364 -4.852357 0.805044
C	-5.933742 1.053877 9.565984
C	8.141517 -9.296367 1.644290
C	-3.088902 0.423302 5.085823
C	11.405889 -4.836536 1.776047
C	-4.921780 0.199165 10.051248
C	9.145931 -9.824021 2.480243
H	-3.061161 -0.215364 5.963958
H	11.362336 -5.530011 2.611371
H	-4.337693 -0.391412 9.351709
H	9.870379 -9.156675 2.937476
C	-2.020689 0.402966 4.186907
C	12.427243 -3.882672 1.715231
C	-4.679772 0.076928 11.419584
C	9.210358 -11.193530 2.750742
H	-1.147205 -0.216146 4.367911
H	13.195143 -3.834505 2.481557
H	-3.896648 -0.575110 11.794044
H	10.022302 -11.560747 3.375084
C	-5.346930 1.267620 5.812316
C	9.181305 -5.704110 0.954910
C	-6.186272 1.187046 8.111161
C	8.069108 -7.842026 1.364118
C	-5.120772 1.144836 7.194714
C	9.245356 -7.077036 1.237946
H	-4.101986 1.074813 7.565124
H	10.216401 -7.560471 1.303667
C	-6.665588 1.437985 5.355845
C	7.922911 -5.093878 0.823840
C	-7.494878 1.357471 7.625799
C	6.819844 -7.206257 1.226932
H	-6.852307 1.534769 4.290390
H	7.872698 -4.029199 0.612383
H	-8.329403 1.333492 8.320902
H	5.907583 -7.775325 1.384897
C	-7.749895 1.486682 6.249077
C	6.735031 -5.827195 0.971861
C	-9.134291 1.655170 5.744646
C	5.433427 -5.121452 0.899238
C	-11.767841 1.982981 4.774935
C	2.996224 -3.711472 0.744926
C	-10.832896 1.231886 4.042178
C	4.078420 -3.169773 1.459518
C	-11.385700 2.567220 5.994292
C	3.127961 -4.963433 0.117278
H	-11.143918 0.771188 3.111034
H	3.949483 -2.207552 1.943731
H	-12.120257 3.146197 6.545925
H	2.281026 -5.364118 -0.431424
C	-9.532883 1.068800 4.525513
C	5.285874 -3.864908 1.525182
C	-10.082591 2.406874 6.470091
C	4.333575 -5.666363 0.205138
H	-8.830086 0.454650 3.969494
H	6.116895 -3.450977 2.089326
H	4.437413 -6.626997 -0.291886
C	1.737838 -2.934713 0.629296
C	-13.162447 2.164971 4.296749
C	1.020064 2.797504 -2.266475
C	12.868163 2.950399 -0.335142
C	6.838059 14.018407 -1.526354
C	2.173190 3.725709 -2.197724
C	11.669609 3.824755 -0.452221
C	6.877515 12.542928 -1.476577
C	2.130799 4.848431 -1.349452
C	10.470776 3.506621 0.209907
C	7.717430 11.851108 -0.586509
H	1.210073 5.067441 -0.816790
H	10.459419 2.664105 0.893297
H	8.350978 12.412945 0.090815
C	3.263960 5.652360 -1.195594
C	9.320212 4.261908 -0.025069
C	7.720099 10.454640 -0.575129
H	3.238134 6.504350 -0.521964
H	8.397208 4.014025 0.492060
H	8.349920 9.929046 0.136670
C	4.462667 5.333848 -1.866678
C	9.348713 5.365757 -0.904297
C	6.889856 9.720545 -1.447843
C	4.480632 4.226213 -2.739126
C	6.052765 10.428654 -2.336399
C	10.568483 5.708095 -1.521875
H	5.390560 3.998999 -3.287481
H	5.428360 9.882745 -3.037607
H	10.604593 6.552610 -2.204631
C	3.345405 3.434911 -2.914984
C	6.044505 11.823688 -2.352154
C	11.717450 4.939616 -1.304994
H	3.350165 2.573612 -3.572658
H	5.408869 12.374070 -3.039106
H	12.652643 5.168737 -1.807053
C	5.702220 6.111794 -1.636279
C	8.104672 6.123737 -1.175593
C	6.895293 8.237623 -1.431761
C	5.704067 7.515806 -1.636213
C	6.905716 5.427372 -1.400532
C	8.090317 7.527905 -1.208553
H	4.771691 8.049607 -1.798960
H	6.905666 4.340174 -1.383378
H	9.017659 8.072051 -1.052169
C	-2.530293 -3.217842 -4.299201
C	-4.276774 -2.331164 -5.731616
C	-5.198213 -1.918308 -2.214486
C	-6.922855 0.252076 -1.830307
C	-6.461586 1.658968 11.872809
C	7.275062 -11.558373 1.335754
C	-5.457995 0.793315 12.345652
C	8.266464 -12.073238 2.189547
C	-3.777192 -3.355611 -4.908856
H	-2.153510 -3.959262 -3.603659
C	-5.686781 -2.460520 -6.196390
H	-4.519430 -2.754923 -2.327768
C	-6.496872 -1.964135 -2.725715
H	-7.591175 1.097885 -1.693171
C	-7.376883 -0.877536 -2.543919
H	-7.037158 2.279716 12.556362
H	6.573069 -12.249954 0.880154
C	-5.147562 0.624418 13.795720
C	8.286501 -13.547457 2.423325
H	-4.401541 -4.224117 -4.724098
O	-6.321655 -1.312529 -6.626718
O	-6.332969 -3.511267 -6.160532
H	-6.846114 -2.851066 -3.247904
C	-8.752636 -0.927875 -3.097303
O	-6.146763 0.964460 14.691830
O	-4.071283 0.204141 14.220008
O	7.740910 -14.364024 1.681320
O	8.960269 -13.993854 3.547369
C	-8.965715 -1.341488 -4.422722
C	-9.853958 -0.569167 -2.304025
C	-10.262332 -1.395160 -4.966054
H	-8.114317 -1.573454 -5.053875
C	-11.163999 -0.630286 -2.814909
H	-9.687886 -0.301908 -1.264331
C	-10.467969 -1.800780 -6.378949
C	-11.349572 -1.041543 -4.147187
C	-12.322879 -0.292875 -1.953531
C	-11.545080 -1.284397 -7.129008
C	-9.578292 -2.693971 -7.013240
H	-12.355893 -1.087431 -4.552600
C	-13.577072 -0.914957 -2.139721
C	-12.196743 0.651949 -0.912327
C	-11.743975 -1.663211 -8.458814
H	-12.209993 -0.549020 -6.685646
C	-9.766885 -3.062985 -8.345383
H	-8.730992 -3.107421 -6.475887
H	-13.695303 -1.670215 -2.910433
C	-14.663245 -0.605539 -1.320996
H	-11.255117 1.172139 -0.767221
C	-13.269107 0.951531 -0.074173
C	-10.860637 -2.568485 -9.076647
H	-12.557201 -1.201908 -9.015560
H	-9.071991 -3.738650 -8.834066
H	-15.622060 -1.090313 -1.468809
C	-14.513816 0.324229 -0.274483
H	-13.144089 1.666309 0.731509
C	-11.007165 -2.993159 -10.498821
C	-15.629628 0.642809 0.627242
O	-12.275283 -2.886171 -11.050358
O	-10.083654 -3.424439 -11.188571
O	-16.827718 0.112663 0.235206
O	-15.558275 1.326201 1.671195
H	12.069539 -0.543417 -0.065962
H	9.203822 -13.284903 4.172973
H	-7.019740 1.106110 14.277872
H	-14.292696 1.652185 2.700250
H	9.970514 2.050589 -2.315862
H	13.290953 1.155127 0.463736
H	-5.815609 -0.487330 -6.499759
H	-12.976141 -2.721132 -10.390623
H	-17.538828 0.339106 0.871127
H	7.646575 15.586209 -0.685307
H	-9.788874 2.891168 7.397160
H	2.353634 2.721423 0.442391
H	0.762887 2.554495 0.802131
O	1.667864 2.155071 0.828939
H	3.063907 -2.445637 -2.100691
H	1.485864 -2.690975 -2.517832
O	2.267758 -2.076380 -2.510660
H	-0.430427 -1.772028 1.813312
H	-2.026572 -1.585554 1.573324
O	-1.202489 -1.972821 1.236964
H	-2.173229 0.706408 -3.452521
H	-0.682018 1.401601 -3.429610
O	-1.550780 1.267513 -2.964966
 
