XYZ coordinates of the optimized structure at the HSE06/6-31+G* level
Zn	1.854793 0.714893 -4.814520
Zn	-0.138046 1.853926 -2.483520
Zn	3.154653 1.495826 -1.964542
Zn	1.158093 -0.978593 -1.925437
O	1.485171 0.769466 -2.837941
O	-1.231123 8.915002 -8.151392
O	1.008014 2.311393 -5.775023
O	3.646102 1.800392 -5.043358
O	-0.593795 -1.854080 -1.242425
O	-2.996779 14.100407 4.134415
O	2.838907 -2.063788 -1.554716
O	-1.336067 0.257640 -1.523656
O	-2.859886 14.242667 6.385555
O	3.967182 -0.157485 -1.013266
O	0.229147 2.985411 -0.841488
O	-7.777222 -10.013473 4.712123
O	2.293643 2.240942 -0.212969
O	-9.970561 -9.981303 4.066210
O	-0.715754 7.696340 -9.982842
O	0.248409 3.420627 -3.945488
O	4.842855 1.195937 -3.223576
O	0.694888 -1.938033 -3.835072
O	-10.927184 3.119070 -0.408445
O	-8.884083 -10.019125 1.088775
O	-0.019019 -0.309739 -5.231054
O	-12.654285 1.624116 -0.365824
O	-8.001166 -11.044643 -0.762876
C	-0.835475 7.846012 -8.613464
C	0.492188 3.344186 -5.212287
C	4.770672 1.565599 -4.465665
C	-0.471565 6.665004 -7.769831
C	0.158164 4.511602 -6.083505
C	6.025550 1.751415 -5.246718
C	0.377196 5.637791 -8.224516
C	-0.673262 5.546470 -5.620794
C	7.097701 2.172493 -7.383041
H	0.837531 5.681090 -9.209195
H	-1.077690 5.508985 -4.615266
H	7.004131 2.404973 -8.441683
C	-0.980980 6.619278 -6.459860
C	0.687583 4.565366 -7.383798
C	5.936312 2.000700 -6.626552
H	-1.610056 7.435262 -6.118377
H	1.350990 3.770087 -7.708332
H	4.951494 2.062034 -7.077629
C	-1.495262 -0.935141 -1.075536
C	-2.581305 13.617291 5.362857
C	3.840840 -1.434901 -1.017158
C	-2.760467 -1.283337 -0.377796
C	-1.809000 12.339339 5.359700
C	4.906941 -2.249600 -0.370901
C	-3.114618 -2.621469 -0.147027
C	-1.122718 11.860231 4.228697
C	4.920275 -3.648272 -0.503878
H	-2.438966 -3.406124 -0.469358
H	-1.096014 12.430814 3.302686
H	4.154748 -4.128798 -1.104016
C	-4.331757 -2.937518 0.459286
C	-0.402114 10.664562 4.295552
C	-11.100063 -0.735040 2.257757
C	3.867053 6.102440 7.942135
H	-4.595689 -3.983996 0.569893
H	0.155032 10.329055 3.425850
H	-11.424122 -1.724298 1.946981
H	4.297946 5.882326 6.969909
C	-5.217326 -1.929525 0.898338
C	-0.348019 9.917365 5.489290
C	-9.735669 -0.500936 2.515096
C	2.621209 6.759730 8.019415
C	-4.829837 -0.586708 0.687208
C	-1.028720 10.414172 6.620441
C	-9.336120 0.791969 2.910571
C	2.112800 7.077758 9.294565
H	-5.454805 0.224230 1.046701
H	-1.017983 9.845636 7.545703
H	-8.293930 0.977816 3.153976
H	1.151979 7.576381 9.381419
C	-3.632021 -0.267090 0.046058
C	-1.741667 11.611634 6.560684
C	-10.268303 1.824095 3.025177
C	2.814915 6.737333 10.454004
H	-3.343732 0.767913 -0.112176
H	-2.260229 11.999493 7.432052
H	-9.969746 2.814752 3.354094
H	2.400048 7.031232 11.415970
C	-6.504022 -2.260891 1.568677
C	0.413905 8.647235 5.557940
C	-8.727960 -1.575996 2.355706
C	1.869806 7.111781 6.790671
C	-7.503569 -1.285321 1.733169
C	1.130871 8.305730 6.718220
H	-7.363826 -0.287195 1.334874
H	1.161331 9.003925 7.549984
C	-6.771511 -3.555886 2.050011
C	0.446074 7.771755 4.458616
C	-8.968179 -2.879595 2.818679
C	1.884842 6.254566 5.676280
H	-6.030950 -4.338692 1.928180
H	-0.105470 8.025632 3.557677
H	-9.893789 -3.095913 3.344783
H	2.405806 5.303532 5.741587
C	-7.990205 -3.880722 2.674492
C	1.177989 6.572387 4.503227
C	-8.231355 -5.264709 3.153698
C	1.190283 5.650602 3.341735
C	-8.656710 -7.954935 3.910219
C	1.218663 3.897225 1.126441
C	-7.370688 -7.394114 3.988730
C	0.045731 4.593189 1.463230
C	-9.737615 -7.159885 3.490600
C	2.375083 4.071566 1.904845
H	-6.544957 -8.007232 4.331528
H	-0.853428 4.427983 0.877652
H	-10.725011 -7.607579 3.432890
H	3.272157 3.526850 1.628860
C	-7.165415 -6.065239 3.614818
C	0.032669 5.459303 2.558605
C	-9.524633 -5.831009 3.117988
C	2.360100 4.940635 2.997256
H	-6.169068 -5.641294 3.693981
H	-0.888858 5.966341 2.830044
H	3.268611 5.093357 3.573075
C	1.250430 2.988366 -0.049230
C	-8.898374 -9.376721 4.220732
C	-0.253714 -1.361217 -4.502835
C	-11.443523 1.863741 -0.574302
C	-8.251451 -10.004128 -0.137631
C	-1.637032 -1.864155 -4.336852
C	-10.457559 0.856116 -0.976954
C	-7.937093 -8.630957 -0.584592
C	-1.831635 -3.098422 -3.695066
C	-9.082480 1.143455 -1.048959
C	-8.292052 -7.518939 0.195517
H	-0.962117 -3.693663 -3.440563
H	-8.737607 2.147858 -0.827992
H	-8.786084 -7.672707 1.145676
C	-3.111394 -3.500647 -3.321023
C	-8.177977 0.131886 -1.373843
C	-8.004865 -6.231818 -0.253720
H	-3.226857 -4.426857 -2.768041
H	-7.114704 0.353168 -1.386791
H	-8.259826 -5.383795 0.372326
C	-4.231324 -2.676664 -3.560039
C	-8.620280 -1.181169 -1.646208
C	-7.359400 -6.020082 -1.488366
C	-4.033036 -1.483875 -4.287522
C	-7.002254 -7.144741 -2.262722
C	-10.006141 -1.445482 -1.591453
H	-4.881007 -0.857562 -4.547701
H	-6.527715 -7.004901 -3.229908
H	-10.375262 -2.436165 -1.836884
C	-2.753462 -1.078854 -4.672401
C	-7.287989 -8.438175 -1.817657
C	-10.914274 -0.444690 -1.254487
H	-2.626311 -0.137496 -5.193925
H	-7.027968 -9.307030 -2.414933
H	-11.979332 -0.647983 -1.204610
C	-5.547427 -3.011498 -2.964610
C	-7.663563 -2.263302 -1.976538
C	-7.062205 -4.636522 -1.930452
C	-5.878349 -4.335418 -2.623337
C	-6.454122 -1.988073 -2.635586
C	-7.946562 -3.591047 -1.615897
H	-5.194718 -5.141923 -2.869406
H	-6.206880 -0.960597 -2.880816
H	-8.857225 -3.815067 -1.069522
C	7.282294 1.696640 -4.621276
C	8.359789 2.101204 -6.760788
C	5.911434 -1.616478 0.383434
C	5.926211 -4.401144 0.105309
C	-12.032215 0.303975 2.338063
C	4.574012 5.766093 9.096460
C	-11.618075 1.595012 2.709630
C	4.048059 6.065806 10.365524
C	8.443492 1.878973 -5.375055
H	7.339797 1.511260 -3.555189
C	9.639273 2.293559 -7.511338
H	5.877892 -0.536749 0.491316
C	6.911508 -2.374389 0.997248
H	5.945191 -5.478148 -0.033841
C	6.936520 -3.779352 0.868963
H	-13.075842 0.108708 2.110351
H	5.542941 5.279799 9.038851
C	-12.566806 2.747731 2.794457
C	4.857190 5.683824 11.560942
H	9.424117 1.854766 -4.910650
O	9.601512 2.063966 -8.875500
O	10.695919 2.634137 -6.982153
H	7.660375 -1.877514 1.607278
C	7.997178 -4.583477 1.522213
O	-13.594408 2.763983 1.884363
O	-12.439658 3.664622 3.612165
O	6.063451 5.443021 11.519071
O	4.188023 5.598394 12.769464
C	9.312184 -4.094702 1.615575
C	7.704607 -5.849009 2.060724
C	10.325608 -4.848057 2.233734
H	9.561931 -3.143986 1.152935
C	8.699289 -6.623865 2.682853
H	6.680335 -6.210503 2.045680
C	11.711505 -4.327053 2.311843
C	10.005645 -6.110621 2.762133
C	8.372292 -7.950034 3.260119
C	12.817186 -5.188790 2.165947
C	11.957138 -2.954513 2.525328
H	10.781504 -6.700809 3.241610
C	8.979133 -8.387307 4.456023
C	7.445875 -8.803245 2.623671
C	14.124017 -4.699978 2.245875
H	12.653677 -6.240454 1.949994
C	13.259898 -2.460925 2.596787
H	11.121006 -2.274691 2.660144
H	9.670456 -7.732224 4.978155
C	8.674390 -9.636453 5.001065
H	6.989049 -8.497086 1.687072
C	7.135863 -10.051916 3.163253
C	14.357179 -3.331221 2.474072
H	14.947430 -5.390877 2.077078
H	13.451100 -1.403955 2.754576
H	9.135786 -9.966728 5.925125
C	7.749653 -10.475802 4.355540
H	6.429765 -10.715978 2.674045
C	15.726282 -2.741394 2.554748
C	7.393972 -11.804793 4.892242
O	16.763249 -3.607743 2.855866
O	15.967317 -1.548259 2.373497
O	8.062130 -12.108942 6.061029
O	6.587133 -12.595068 4.380392
H	-2.899036 13.463112 3.401156
H	3.215321 5.625650 12.689895
H	-13.451220 2.198664 1.078541
H	-7.970743 -10.952623 4.912820
H	-0.566216 6.776439 -10.274117
H	-11.607109 3.763932 -0.116956
H	8.781111 1.633506 -9.183926
H	16.470369 -4.486832 3.163766
H	7.800979 -12.994990 6.387716
H	-9.144474 -10.923248 1.360498
H	-10.361929 -5.241815 2.755490
H	2.946682 4.296115 -2.167838
H	3.282379 3.508504 -3.599511
O	3.235813 3.419786 -2.632857
H	5.802271 -0.078912 -2.819822
H	6.446754 -1.439463 -2.152121
O	6.313637 -0.926933 -2.965117
H	2.284514 -1.713083 -4.731368
H	3.833758 -1.229628 -5.214611
O	2.837892 -1.003512 -5.130095
H	2.777500 6.210895 -1.106702
H	1.367197 5.623620 -1.825879
O	2.369569 5.519514 -1.643963
H	-2.571799 1.428078 -2.703325
H	-2.354728 2.389950 -4.073304
O	-2.025031 2.105996 -3.137460
H	0.207946 -3.293776 -0.637226
H	1.791403 -3.521522 -0.804655
O	1.005680 -3.738384 -0.254660
H	1.746788 0.553320 0.217209
H	1.237300 -0.925820 0.823776
O	1.255013 -0.274132 0.042466
H	5.851579 -1.692097 -5.948472
H	5.786239 -1.418642 -4.305465
O	5.281839 -1.543245 -5.181729
H	-0.593111 1.641714 -7.397664
H	-0.856308 0.487701 -6.311793
O	-1.294160 1.160263 -6.926178
H	-0.439898 4.809321 -1.470197
H	-0.002263 4.730761 -2.991646
O	-0.080833 5.346687 -2.205655
H	-3.347751 3.235175 -5.827820
H	-2.210161 2.029287 -6.161031
O	-2.749263 2.569135 -5.463541
H	1.058039 -2.325332 2.643286
H	1.194977 -2.951297 1.094766
O	1.285775 -2.157318 1.719364
 
