XYZ coordinates of the optimized structure at the HSE06/6-31+G* level
Zn	-1.102344 -0.701057 -1.069204
Zn	1.561712 -0.303284 0.770516
Zn	-0.788517 1.307530 1.492225
Zn	0.695862 2.022903 -1.442313
O	0.044417 0.642140 -0.203178
O	1.770026 -9.339129 1.029386
O	-0.362798 -2.511170 -0.740033
O	-2.892685 -0.617395 -0.182313
O	2.574112 1.626783 -1.906865
O	0.565350 3.730974 -0.436849
O	2.923407 -0.294457 -0.734104
O	-0.382383 3.244770 1.581676
O	3.031754 0.883698 1.778781
O	0.437908 0.122192 2.427197
O	0.702804 -9.498914 -0.956694
O	1.361979 -2.315809 0.740760
O	-2.725789 0.876512 1.532467
O	-0.378282 1.871523 -3.104663
O	-1.351824 -0.184257 -2.957980
C	1.199218 -8.762546 0.104247
C	0.565188 -3.008758 0.008842
C	-3.395717 0.059421 0.789871
C	1.004089 -7.281519 0.043520
C	0.714264 -4.494060 0.023291
C	-4.848416 -0.108381 1.079884
C	-0.019860 -6.683766 -0.716378
C	1.728436 -5.089013 0.792678
C	-6.979554 -1.143735 0.565164
H	-0.735959 -7.288075 -1.269034
H	2.390617 -4.446927 1.363437
H	-7.549043 -1.862172 -0.020318
C	1.867918 -6.477590 0.809019
C	-0.163399 -5.293271 -0.726000
C	-5.615746 -0.990091 0.301635
H	2.635658 -6.961121 1.404807
H	-0.947067 -4.808722 -1.298355
H	-5.126610 -1.543904 -0.492536
C	3.281437 0.583202 -1.601195
C	0.207269 4.051034 0.760196
C	4.579625 0.397306 -2.304583
C	0.508314 5.428541 1.234450
C	4.996598 1.329392 -3.270496
C	1.161444 6.335054 0.380214
H	4.352546 2.175497 -3.487339
H	1.425036 6.009438 -0.620946
C	6.219389 1.150775 -3.928773
H	6.543946 1.868795 -4.676377
C	7.025449 0.041552 -3.623724
C	6.607415 -0.890278 -2.659006
H	7.231708 -1.748165 -2.426400
C	5.385582 -0.713295 -1.999131
H	5.035498 -1.417858 -1.251385
C	3.296951 -1.714136 6.136144
C	3.282448 0.180929 4.076663
C	3.172061 -1.189908 3.769327
C	3.410651 0.601359 5.413898
H	3.090198 -1.516966 2.737229
H	3.495907 1.660173 5.632213
C	3.177439 -2.133596 4.800427
C	3.415962 -0.348371 6.440971
H	3.088347 -3.189644 4.566184
H	3.510366 -0.028172 7.473850
C	3.241221 1.158308 2.980936
C	-1.071680 0.902875 -3.601631
C	-1.578827 1.042183 -4.990789
C	-1.297000 2.208072 -5.724395
H	-0.708394 2.989286 -5.254423
C	-1.775029 2.338978 -7.033437
H	-1.559426 3.238200 -7.602945
C	-2.532975 1.306571 -7.610449
C	-2.813383 0.141684 -6.877019
H	-3.398602 -0.655273 -7.326396
C	-2.337425 0.008347 -5.567481
H	-2.537966 -0.880735 -4.978449
C	-5.442922 0.608199 2.132415
C	-7.581458 -0.416039 1.610170
C	0.148565 5.816659 2.537555
C	1.455001 7.627570 0.830650
C	-6.803411 0.447899 2.401522
H	-4.824846 1.277528 2.720966
C	-9.032360 -0.549170 1.946739
H	-0.358492 5.098308 3.173673
C	0.443706 7.109880 2.985040
H	1.957659 8.330570 0.173046
C	1.096860 8.015594 2.132516
H	-7.282765 0.979456 3.217443
O	-9.866849 -0.985674 0.932709
O	-9.504103 -0.291402 3.053245
H	0.165435 7.413809 3.989834
H	0.432605 -8.956763 -1.722807
H	-9.448647 -0.988819 0.050110
O	3.457568 2.444202 3.362669
H	3.372920 3.066883 2.609251
H	0.397230 -0.339518 3.275488
H	7.973781 -0.096865 -4.136025
H	1.323916 9.019601 2.480382
H	-2.902864 1.409051 -8.627034
H	3.299000 -2.449492 6.935488
 
