XYZ coordinates of the optimized structure at the HSE06/6-31+G* level
Zn	-0.235100 0.512343 -1.378266
Zn	-0.363830 -1.438961 1.234188
Zn	1.375298 1.353061 1.393788
Zn	2.443869 -1.152195 -0.423953
O	0.803466 -0.157888 0.210165
O	-8.065165 -4.559253 -1.872606
O	-1.940415 -0.478150 -1.567836
O	-0.640609 2.427232 -1.118768
O	2.560760 -2.854548 0.554812
O	4.052388 -0.080681 -0.012972
O	0.737867 -2.919799 1.909701
O	3.323102 1.665514 1.241274
O	-1.616060 -0.586528 2.435227
O	-1.109468 0.758204 4.190876
O	-7.872267 -3.570481 -3.896527
O	-1.693190 -2.165324 -0.066195
O	0.346865 2.955956 0.861148
O	2.373072 -1.339540 -2.382680
O	0.786869 0.154014 -3.025664
C	-7.404637 -3.842564 -2.623092
C	-2.344177 -1.564431 -0.998466
C	-0.390645 3.245844 -0.154191
C	-6.093535 -3.230142 -2.245513
C	-3.641445 -2.146322 -1.439106
C	-0.987715 4.607257 -0.219037
C	-5.604015 -2.060537 -2.858817
C	-4.132527 -3.306891 -0.816499
C	-2.340660 6.247251 -1.383036
H	-6.184315 -1.538421 -3.616316
H	-3.542264 -3.765479 -0.030190
H	-2.989561 6.494974 -2.220091
C	-5.359510 -3.841466 -1.213099
C	-4.380381 -1.519261 -2.454896
C	-1.784977 4.966787 -1.317688
H	-5.767879 -4.727665 -0.737754
H	-3.986803 -0.612608 -2.901795
H	-1.960997 4.233193 -2.097091
C	1.863126 -3.401450 1.494784
C	4.263402 1.012038 0.639143
C	2.377578 -4.638402 2.128546
C	5.646453 1.542692 0.703666
C	3.601906 -5.184882 1.704058
C	6.692807 0.843409 0.076039
H	4.149952 -4.685058 0.911900
H	6.463355 -0.078905 -0.447799
C	4.086396 -6.352578 2.304202
H	5.030930 -6.778641 1.979325
C	3.349928 -6.973466 3.326857
C	2.127191 -6.426369 3.750217
H	1.560438 -6.909163 4.540686
C	1.639321 -5.258940 3.152187
H	0.697609 -4.815672 3.459400
C	-6.058021 -0.036547 4.704356
C	-3.371281 0.031021 3.919252
C	-4.301743 -0.710661 3.169427
C	-3.784304 0.739536 5.061052
H	-3.957482 -1.247966 2.291098
H	-3.044518 1.305330 5.618172
C	-5.644457 -0.743587 3.562940
C	-5.127865 0.704262 5.452527
H	-6.365760 -1.314333 2.985539
H	-5.451542 1.250605 6.333582
C	-1.947111 0.070730 3.499452
C	1.733969 -0.683891 -3.293893
C	2.103430 -0.902858 -4.712599
C	3.126473 -1.811756 -5.036403
H	3.629309 -2.339422 -4.232430
C	3.473314 -2.018516 -6.376387
H	4.261950 -2.720155 -6.631229
C	2.800745 -1.318034 -7.391508
C	1.779315 -0.409813 -7.066679
H	1.262121 0.130282 -7.854149
C	1.428974 -0.201490 -5.727880
H	0.644079 0.493915 -5.448489
C	-0.762391 5.521381 0.824395
C	-2.102699 7.171967 -0.347602
C	5.905444 2.743150 1.388919
C	7.997909 1.344993 0.136767
C	-1.325820 6.797067 0.763203
H	-0.153179 5.212032 1.666790
C	-2.680319 8.551800 -0.357234
H	5.078566 3.264370 1.860507
C	7.211729 3.242096 1.447147
H	8.808994 0.808367 -0.346316
C	8.258027 2.543471 0.822015
H	-1.179927 7.516135 1.562954
O	-3.018133 9.074552 -1.593078
O	-2.858910 9.224458 0.656837
H	7.416201 4.169300 1.974113
H	-7.209533 -3.154578 -4.481106
H	-2.678213 8.557502 -2.348667
O	1.139117 0.920574 3.294932
H	1.880952 0.870162 3.915226
H	0.153464 0.846112 3.750158
H	3.727095 -7.880214 3.791778
H	9.271678 2.932012 0.867814
H	3.071470 -1.479216 -8.431380
H	-7.100783 -0.062100 5.008699
 
