XYZ coordinates of the optimized structure at the HSE06/6-31+G* level
Zn	-0.555095 0.505257 1.306327
Zn	1.262521 0.863559 -1.386304
Zn	-0.732029 -1.823579 -1.044370
Zn	2.003521 -1.491282 0.779439
O	0.490443 -0.479378 -0.111479
O	0.495354 9.698060 -0.036246
O	-0.350792 2.465637 1.093588
O	-2.485406 0.110526 1.241073
O	3.696323 -1.126050 -0.155472
O	1.635587 -3.425550 0.794149
O	3.179129 0.503998 -1.649094
O	-0.344101 -3.620542 -0.298710
O	0.526409 0.903879 -3.241882
O	-1.640474 0.629085 -2.683400
O	-0.017632 9.453319 2.151798
O	1.024521 2.702719 -0.698413
O	-2.612917 -1.316126 -0.522939
O	2.134190 -0.944505 2.671869
O	0.164053 0.099611 3.096622
C	0.258809 8.934719 0.898812
C	0.323439 3.187358 0.267051
C	-3.154132 -0.598477 0.396419
C	0.253495 7.444331 0.774499
C	0.295153 4.665338 0.439119
C	-4.640418 -0.579348 0.492096
C	-0.468526 6.616975 1.656674
C	1.003971 5.488358 -0.452536
C	-6.662633 0.248192 1.541503
H	-1.082644 7.040189 2.448476
H	1.561797 5.024396 -1.258880
H	-7.133310 0.914717 2.260832
C	0.975484 6.874542 -0.289495
C	-0.448155 5.229908 1.488148
C	-5.268001 0.231538 1.451096
H	1.502321 7.532898 -0.972860
H	-1.001694 4.570755 2.148334
H	-4.650515 0.839799 2.103314
C	4.019846 -0.308564 -1.101001
C	0.635866 -4.125963 0.371594
C	5.422603 -0.302188 -1.581129
C	0.615187 -5.578416 0.673022
C	6.360433 -1.182395 -1.012747
C	1.671032 -6.157369 1.399083
H	6.034453 -1.854787 -0.225748
H	2.487929 -5.522498 1.726705
C	7.683931 -1.175269 -1.467816
H	8.411760 -1.853246 -1.032056
C	8.070435 -0.290354 -2.488180
C	7.132447 0.588698 -3.054882
H	7.435125 1.272179 -3.842622
C	5.807920 0.583934 -2.602841
H	5.062785 1.252458 -3.021980
C	-1.490091 -0.206805 -7.715506
C	-0.946151 0.290141 -5.015431
C	0.113226 0.070225 -5.914159
C	-2.276737 0.274337 -5.469396
H	1.131637 0.096794 -5.539662
H	-3.090157 0.472479 -4.777825
C	-0.160328 -0.181627 -7.261750
C	-2.546272 0.025316 -6.819867
H	0.654761 -0.356833 -7.957160
H	-3.572147 0.017037 -7.174788
C	-0.628719 0.550821 -3.601477
C	1.289576 -0.403419 3.484181
C	1.626082 -0.355246 4.927425
C	2.845895 -0.889668 5.378778
H	3.522118 -1.330473 4.653412
C	3.162724 -0.843166 6.741230
H	4.103917 -1.253987 7.094290
C	2.262575 -0.265094 7.651752
C	1.043888 0.267818 7.199511
H	0.350129 0.712992 7.906557
C	0.724321 0.224090 5.837625
H	-0.209880 0.627443 5.460317
C	-5.408007 -1.363361 -0.386173
C	-7.434576 -0.546597 0.671988
C	-0.461579 -6.368888 0.233675
C	1.649082 -7.527569 1.683783
C	-6.801057 -1.340375 -0.301101
H	-4.895763 -1.977673 -1.119195
C	-8.929608 -0.559037 0.711786
H	-1.263780 -5.894614 -0.322559
C	-0.480605 -7.738639 0.520533
H	2.462376 -7.978901 2.244311
C	0.574187 -8.318482 1.244982
H	-7.416947 -1.926374 -0.975910
O	-9.522220 -0.190755 1.906371
O	-9.635303 -0.877322 -0.244302
H	-1.310606 -8.352785 0.183961
H	-0.009646 8.787287 2.866087
H	-8.899426 -0.132195 2.656396
O	-0.845838 -1.702815 -2.950401
H	-0.704739 -2.432070 -3.573626
H	-2.138583 -0.226869 -2.694795
H	9.098505 -0.285383 -2.839915
H	0.558142 -9.381986 1.467220
H	2.509612 -0.230310 8.709317
H	-1.701769 -0.401335 -8.763045
 
