XYZ coordinates of the optimized structure at the HSE06/6-31+G* level
Zn	0.000455 1.079409 1.151968
Zn	1.647582 -0.583830 -1.187837
Zn	-1.648555 -0.583358 -1.186867
Zn	-0.000056 -2.217945 1.162992
O	-0.000170 -0.565914 -0.013544
O	7.503604 6.206740 -1.015294
O	1.600864 2.180579 0.784097
O	-1.597109 2.183698 0.780718
O	1.605540 -3.297172 0.801866
O	-1.606684 -3.296095 0.803448
O	2.738978 -2.175160 -0.813434
O	-2.738389 -2.176298 -0.814580
O	1.133893 -0.543336 -3.085236
O	-1.135947 -0.539259 -3.084454
O	6.930347 6.825175 1.082107
O	2.737748 1.023615 -0.807521
O	-2.739910 1.022412 -0.803483
O	0.000589 -1.677804 3.057764
O	-0.002227 0.592432 3.057562
C	6.763574 6.042680 -0.046695
C	2.602700 2.027383 -0.013177
C	-2.601532 2.028752 -0.012930
C	5.668488 5.024603 -0.001549
C	3.664134 3.070204 -0.013419
C	-3.662004 3.072527 -0.013503
C	4.553059 5.153845 0.848689
C	4.767712 2.946006 -0.874727
C	-4.546155 5.160151 0.843874
H	4.430266 6.026470 1.486290
H	4.822696 2.084229 -1.531154
H	-4.420455 6.034990 1.477863
C	5.762385 3.925417 -0.873917
C	3.552445 4.178361 0.841826
C	-3.546497 4.183688 0.837330
H	6.617202 3.860604 -1.539526
H	2.679704 4.258304 1.481046
H	-2.671599 4.265135 1.473404
C	2.607893 -3.171954 -0.002114
C	-2.608128 -3.172037 -0.001846
C	3.656900 -4.218917 0.006063
C	-3.657025 -4.219110 0.006473
C	3.543356 -5.315544 0.879077
C	-3.544401 -5.314572 0.881066
H	2.680843 -5.373134 1.535169
H	-2.682667 -5.371195 1.538266
C	4.534770 -6.303227 0.885658
H	4.451453 -7.152019 1.557844
C	5.637646 -6.196225 0.022023
C	5.749658 -5.100308 -0.849763
H	6.603344 -5.021205 -1.516213
C	4.760180 -4.110677 -0.859205
H	4.821178 -3.254068 -1.522662
C	-0.002465 -0.402239 -7.980097
C	-0.001641 -0.483910 -5.182604
C	1.218263 -0.466025 -5.882125
C	-1.221959 -0.461427 -5.881275
H	2.144554 -0.484240 -5.317047
H	-2.147918 -0.476152 -5.315551
C	1.215844 -0.425149 -7.280934
C	-1.220365 -0.420541 -7.280086
H	2.155171 -0.410647 -7.825547
H	-2.160011 -0.402471 -7.824040
C	-0.001210 -0.524966 -3.701491
C	-0.001194 -0.544059 3.673568
C	-0.002017 -0.543623 5.155986
C	-0.000865 -1.763837 5.854993
H	0.000626 -2.689568 5.288685
C	-0.001663 -1.762371 7.254498
H	-0.000781 -2.702131 7.798571
C	-0.003614 -0.544686 7.955011
C	-0.004767 0.673649 7.255452
H	-0.006285 1.612857 7.800607
C	-0.003964 0.676030 5.855966
H	-0.004830 1.602076 5.290140
C	-4.768495 2.946237 -0.870760
C	-5.664471 5.028862 -0.002248
C	-4.759284 -4.112132 -0.860251
C	-4.535715 -6.302354 0.887770
C	-5.762251 3.926581 -0.870270
H	-4.826420 2.082126 -1.523855
C	-6.758745 6.047809 -0.047566
H	-4.819584 -3.256407 -1.524910
C	-5.748658 -5.101867 -0.850693
H	-4.453112 -7.150246 1.561180
C	-5.637568 -6.196619 0.022673
H	-6.619302 3.860143 -1.532839
O	-6.921070 6.834643 1.078859
O	-7.501822 6.208955 -1.014321
H	-6.601551 -5.023741 -1.518272
H	6.432223 6.509602 1.860636
H	-6.420649 6.521520 1.856904
H	6.406581 -6.963890 0.028119
H	-6.406424 -6.964363 0.028864
H	-0.004239 -0.545162 9.041559
H	-0.002779 -0.369880 -9.066151
 
