XYZ coordinates of the optimized structure at the HSE06/6-31+G* level
Zn	0.754425 -1.356229 2.214943
Zn	1.313476 -1.344775 -1.096617
Zn	3.061097 0.541533 0.898685
Zn	-0.060802 1.227849 0.332615
O	1.245786 -0.238950 0.627050
O	5.926841 -7.830847 -1.755431
O	1.644961 -3.118559 1.930084
O	1.696137 -0.600436 3.794122
O	-0.802441 0.960107 -1.544465
O	8.581924 -13.248224 -3.232810
O	0.806239 2.983399 0.354286
O	-0.602850 -1.280653 -1.837685
O	10.777852 -13.257953 -3.768455
O	3.019748 2.452404 0.366630
O	3.243163 -1.887045 -1.427960
O	-12.170256 6.066541 -2.923749
O	4.408337 -0.595841 0.037571
O	-14.026232 4.748271 -3.088413
O	6.465207 -8.146316 0.404019
O	0.993894 -3.173393 -0.240941
O	3.411064 0.564770 2.855302
O	-1.654535 0.720551 1.366258
O	-10.593535 -9.545457 1.962218
O	-14.502724 2.962016 -1.001095
O	-1.204952 -1.226607 2.457771
O	-12.535410 -8.926851 3.010304
O	-13.215576 4.601571 -0.049284
C	5.687007 -7.559348 -0.574718
C	1.691578 -3.626799 0.739642
C	2.773557 0.102436 3.875736
C	4.621346 -6.616421 -0.144075
C	2.655771 -4.730141 0.478123
C	3.313505 0.399582 5.231287
C	4.660203 -5.943921 1.091676
C	2.608702 -5.408142 -0.751353
C	3.151122 0.190922 7.641098
H	5.480831 -6.090460 1.790691
H	1.821429 -5.157824 -1.454055
H	2.647742 -0.231145 8.508016
C	3.587403 -6.350921 -1.060458
C	3.670776 -5.008232 1.406364
C	2.648892 -0.089780 6.367469
H	3.587724 -6.870509 -2.013275
H	3.688065 -4.459463 2.341919
H	1.754330 -0.687992 6.231145
C	-1.328625 -0.224360 -1.799848
C	9.807677 -12.616298 -3.363723
C	2.059960 3.309612 0.288197
C	-2.788669 -0.329574 -1.980730
C	9.857382 -11.170181 -3.002438
C	2.399347 4.739492 0.106678
C	-3.600252 0.816400 -1.944892
C	8.910483 -10.558648 -2.160214
C	1.378922 5.700911 0.005118
H	-3.127904 1.788526 -1.845677
H	8.108745 -11.130973 -1.698259
H	0.346079 5.375556 0.073671
C	-4.988560 0.691194 -1.991813
C	9.008753 -9.200128 -1.851134
C	-10.980383 -3.616444 -1.058454
C	13.066852 -3.321839 -0.546344
H	-5.591887 1.589981 -1.914078
H	8.274961 -8.760656 -1.185125
H	-11.538455 -2.740800 -0.747053
H	12.265493 -3.031494 0.126596
C	-5.609129 -0.574725 -2.085259
C	10.053973 -8.416567 -2.379079
C	-9.689284 -3.460217 -1.599378
C	12.841680 -4.337892 -1.499058
C	-4.773164 -1.710316 -2.172479
C	11.006568 -9.040950 -3.212244
C	-8.996634 -4.625721 -1.993988
C	13.916688 -4.728024 -2.322856
H	-5.206113 -2.697743 -2.290757
H	11.807594 -8.452382 -3.650118
H	-8.021313 -4.540191 -2.463274
H	13.767281 -5.502264 -3.069498
C	-3.385248 -1.595157 -2.112325
C	10.917181 -10.400028 -3.512879
C	-9.565725 -5.889923 -1.840948
C	15.167798 -4.115631 -2.211643
H	-2.746022 -2.471477 -2.148512
H	11.651232 -10.883333 -4.150294
H	-9.041004 -6.782967 -2.166491
H	15.977098 -4.472161 -2.845657
C	-7.089270 -0.713280 -2.066265
C	10.150837 -6.970276 -2.063840
C	-9.088083 -2.117682 -1.799571
C	11.512891 -4.982835 -1.626396
C	-7.692711 -1.951162 -1.776094
C	11.405859 -6.351337 -1.928846
H	-7.073686 -2.795661 -1.493170
H	12.307684 -6.952080 -2.005887
C	-7.928072 0.384660 -2.333763
C	8.989051 -6.198407 -1.879840
C	-9.894353 -0.992389 -2.041306
C	10.336979 -4.234951 -1.445931
H	-7.493769 1.335729 -2.623467
H	8.019286 -6.673676 -1.990168
H	-10.974434 -1.094739 -2.035656
H	10.411091 -3.165799 -1.269263
C	-9.328699 0.269254 -2.295135
C	9.067370 -4.830563 -1.562015
C	-10.191283 1.454314 -2.527209
C	7.841718 -4.016128 -1.364960
C	-11.855100 3.710690 -2.881753
C	5.535827 -2.418562 -1.002533
C	-10.570915 3.862002 -2.331366
C	5.518947 -3.492467 -1.909145
C	-12.298016 2.435938 -3.275521
C	6.704396 -2.150162 -0.268507
H	-10.242163 4.846568 -2.017928
H	4.609908 -3.690691 -2.467046
H	-13.290975 2.328580 -3.700043
H	6.698416 -1.327526 0.439110
C	-9.759641 2.742546 -2.144258
C	6.658196 -4.281291 -2.087245
C	-11.468559 1.326186 -3.112632
C	7.838464 -2.942721 -0.446517
H	-8.796904 2.864854 -1.657186
H	6.635390 -5.095408 -2.805573
H	8.724675 -2.743084 0.148795
C	4.325453 -1.586856 -0.795106
C	-12.785979 4.849535 -2.981236
C	-2.029995 -0.364187 1.966739
C	-11.439651 -8.619411 2.519941
C	-13.485982 3.395741 -0.194099
C	-3.483095 -0.637869 2.050646
C	-10.899752 -7.243092 2.452166
C	-12.707854 2.291975 0.407716
C	-4.384176 0.204586 1.380786
C	-9.659610 -6.960406 1.855344
C	-13.017642 0.946106 0.155337
H	-3.996091 1.069395 0.856009
H	-9.074400 -7.773881 1.440820
H	-13.898503 0.708637 -0.430828
C	-5.743943 -0.096392 1.361089
C	-9.212594 -5.640627 1.771139
C	-12.168651 -0.060184 0.616745
H	-6.410923 0.532077 0.780161
H	-8.277255 -5.431278 1.261416
H	-12.406772 -1.093179 0.383433
C	-6.250075 -1.225944 2.037667
C	-9.984152 -4.576536 2.280923
C	-10.991089 0.245458 1.331634
C	-5.336135 -2.042793 2.740717
C	-10.728118 1.599416 1.629082
C	-11.217956 -4.876857 2.896756
H	-5.696742 -2.895673 3.307450
H	-9.859399 1.862844 2.224934
H	-11.810652 -4.078448 3.333699
C	-3.967925 -1.764016 2.736804
C	-11.573554 2.610919 1.173012
C	-11.672650 -6.194096 2.983639
H	-3.262761 -2.405306 3.255686
H	-11.360858 3.655913 1.376708
H	-12.615962 -6.433402 3.466131
C	-7.699098 -1.545476 1.996306
C	-9.522682 -3.176247 2.136571
C	-10.026169 -0.822257 1.691920
C	-8.650469 -0.540455 1.748772
C	-8.153892 -2.864062 2.174590
C	-10.448484 -2.144015 1.910404
H	-8.317256 0.477238 1.578043
H	-7.436891 -3.661234 2.343068
H	-11.507824 -2.379596 1.880158
C	4.489385 1.157038 5.368454
C	4.321751 0.961052 7.782572
C	3.745076 5.139956 0.035794
C	1.703650 7.047470 -0.165958
C	-11.551615 -4.879802 -0.894185
C	14.315434 -2.711476 -0.427944
C	-10.843785 -6.032891 -1.274607
C	15.375672 -3.090844 -1.270083
C	4.996110 1.429067 6.640460
H	4.986118 1.515193 4.473139
C	4.915382 1.278533 9.118533
H	4.519898 4.383932 0.111224
C	4.063740 6.487742 -0.137859
H	0.910166 7.787715 -0.211499
C	3.049931 7.463944 -0.241802
H	-12.559209 -4.946965 -0.490711
H	14.495973 -1.944584 0.319056
C	-11.397535 -7.411871 -1.143268
C	16.688231 -2.403764 -1.089397
H	5.910709 1.998291 6.772970
O	4.055196 1.254975 10.201599
O	6.101802 1.554128 9.289195
H	5.105122 6.784716 -0.221544
C	3.390333 8.895252 -0.426245
O	-12.447511 -7.587820 -0.261901
O	-10.972571 -8.378363 -1.777697
O	17.005521 -1.792966 -0.068899
O	17.579418 -2.468400 -2.147422
C	4.517720 9.450811 0.204229
C	2.589970 9.721637 -1.234793
C	4.849473 10.806849 0.037158
H	5.109017 8.836151 0.877053
C	2.898507 11.080951 -1.418457
H	1.750145 9.289630 -1.771577
C	6.031062 11.384361 0.721783
C	4.031710 11.609983 -0.776571
C	2.053040 11.936127 -2.285983
C	5.997617 12.695248 1.238414
C	7.214055 10.632827 0.881246
H	4.279472 12.658962 -0.912439
C	2.628464 12.935374 -3.098347
C	0.652304 11.767519 -2.315968
C	7.112306 13.243415 1.878757
H	5.081585 13.274955 1.173630
C	8.325948 11.172865 1.527834
H	7.269799 9.627308 0.474733
H	3.707335 13.059856 -3.113228
C	1.833802 13.742920 -3.914954
H	0.187365 11.023461 -1.675738
C	-0.147401 12.569881 -3.130174
C	8.292236 12.489748 2.018951
H	7.026435 14.239827 2.307290
H	9.235001 10.593707 1.657640
H	2.279371 14.504671 -4.545087
C	0.439662 13.563125 -3.934398
H	-1.226380 12.450533 -3.151537
C	9.512149 13.008560 2.705693
C	-0.443098 14.390598 -4.781065
O	9.637184 14.383896 2.802944
O	10.391136 12.285921 3.174256
O	0.246802 15.330548 -5.519303
O	-1.676684 14.285925 -4.851677
H	7.838241 -12.634168 -3.078623
H	17.189359 -2.809573 -2.974899
H	-12.569715 -6.852417 0.370636
H	-12.827212 6.792761 -2.884717
H	6.153138 -7.999108 1.317610
H	-11.007112 -10.432627 1.930815
H	3.110460 1.211405 9.957851
H	9.002309 14.880881 2.252206
H	-0.368964 15.858924 -6.068544
H	-14.804580 3.673346 -1.618252
H	-11.812965 0.354406 -3.452295
H	2.400713 0.658879 -2.807710
H	0.828552 0.925302 -2.312665
O	1.656311 0.385077 -2.253459
 
