XYZ coordinates of the optimized structure at the HSE06/6-31+G* level
Zn	0.098462 -0.346324 1.441183
Zn	-0.050400 -0.665859 -1.751807
Zn	0.651581 2.348971 -0.330709
Zn	-2.351286 1.044276 -0.213569
O	-0.379350 0.639517 -0.250916
O	-1.766333 -9.354756 -0.174665
O	-0.112366 -2.295849 1.140662
O	1.991208 0.073715 1.790740
O	-3.094340 0.533216 -1.961516
O	-2.642914 2.974997 0.088953
O	-1.342897 -0.249701 -3.183808
O	-0.549380 3.845855 0.210816
O	1.862072 -0.964159 -2.075444
O	2.485222 1.194299 -1.798588
O	-2.205615 -8.995423 2.013770
O	-0.641111 -2.448795 -1.064023
O	2.117216 2.203158 1.006077
O	-3.101841 0.204160 1.411674
O	-1.307595 -0.013532 2.789627
C	-1.813441 -8.557156 0.760658
C	-0.508440 -2.961544 0.108012
C	2.662357 1.122850 1.444695
C	-1.471871 -7.106827 0.635840
C	-0.835516 -4.402579 0.289453
C	4.145587 1.047680 1.507308
C	-1.049817 -6.335419 1.736233
C	-1.242474 -5.172458 -0.813451
C	6.155887 -0.290620 1.694368
H	-0.924374 -6.781568 2.720328
H	-1.307313 -4.695729 -1.785682
H	6.617376 -1.268336 1.810391
C	-1.550679 -6.523214 -0.641391
C	-0.731257 -4.985958 1.562375
C	4.764351 -0.187557 1.754883
H	-1.853413 -7.142919 -1.479470
H	-0.396911 -4.371420 2.391393
H	4.141882 -1.053997 1.949703
C	-2.572607 0.133304 -3.075068
C	-1.831703 3.954762 0.311366
C	-3.427466 0.114869 -4.286458
C	-2.403888 5.269253 0.696587
C	-4.764804 0.542261 -4.206462
C	-3.798630 5.428845 0.775368
H	-5.148228 0.879765 -3.248995
H	-4.433743 4.577951 0.551099
C	-5.569840 0.523413 -5.351132
H	-6.603346 0.851810 -5.293726
C	-5.040549 0.078551 -6.574058
C	-3.704407 -0.348290 -6.652730
H	-3.298910 -0.692963 -7.599319
C	-2.896522 -0.330860 -5.510050
H	-1.861820 -0.656524 -5.542089
C	6.883826 -1.276405 -1.963168
C	4.198955 -0.475862 -1.987287
C	4.522898 -1.841082 -2.080092
C	5.219277 0.486283 -1.885454
H	3.716593 -2.563398 -2.157957
H	4.943229 1.532557 -1.804832
C	5.865260 -2.239239 -2.066396
C	6.560490 0.087651 -1.873570
H	6.119165 -3.292885 -2.138424
H	7.350061 0.827873 -1.782055
C	2.776279 -0.047554 -1.963245
C	-2.584828 0.019682 2.582358
C	-3.494285 -0.165136 3.737880
C	-4.886717 -0.139598 3.543086
H	-5.270059 0.016490 2.539904
C	-5.744232 -0.315167 4.635101
H	-6.820183 -0.297013 4.489203
C	-5.212390 -0.513882 5.920123
C	-3.821080 -0.537927 6.113635
H	-3.413523 -0.689684 7.108732
C	-2.960622 -0.364658 5.023571
H	-1.882207 -0.377351 5.144232
C	4.917278 2.185809 1.220123
C	6.930380 0.844363 1.391420
C	-1.549200 6.347570 0.986292
C	-4.336964 6.668510 1.139461
C	6.307363 2.083145 1.158581
H	4.408567 3.122907 1.020740
C	8.408315 0.755973 1.207402
H	-0.476551 6.193527 0.925833
C	-2.090565 7.585491 1.351741
H	-5.413661 6.796009 1.201132
C	-3.484068 7.746959 1.427306
H	6.923631 2.939947 0.904749
O	9.065710 -0.215771 1.938442
O	9.046229 1.478945 0.441030
H	-1.433937 8.419997 1.579472
H	-2.393506 -8.272943 2.643602
H	8.512383 -0.624234 2.632590
O	1.165701 3.207193 -2.074113
H	1.048399 4.073149 -2.482463
H	1.868824 2.592943 -2.418038
H	-5.666898 0.063578 -7.461816
H	-3.903294 8.708284 1.711478
H	-5.879348 -0.648510 6.767322
H	7.925637 -1.585155 -1.951009
 
