XYZ coordinates of the optimized structure at the HSE06/6-31+G* level
Zn	-0.453200 -0.518108 1.094225
Zn	-0.399720 2.047805 -0.923754
Zn	1.163814 -0.740234 -1.722495
Zn	2.324960 1.228788 0.673410
O	0.663113 0.530844 -0.190211
O	-9.107466 2.728955 -0.215828
O	-2.330814 0.129867 0.973965
O	-0.408063 -2.451026 0.727737
O	2.502138 3.123480 0.093748
O	3.923747 0.263742 0.058490
O	0.668504 3.668742 -1.136129
O	3.184362 -0.787773 -1.815104
O	-1.158832 1.281734 -2.648329
O	-0.882323 -0.942048 -2.290465
O	-9.334504 1.082806 1.318358
O	-2.114738 2.204824 0.068319
O	1.016842 -2.629893 -1.038618
O	2.107754 1.095962 2.628306
O	0.224765 -0.148282 2.914342
C	-8.561895 1.902596 0.514738
C	-2.825340 1.245404 0.562994
C	0.240048 -3.139171 -0.155308
C	-7.082128 1.711784 0.593019
C	-4.300257 1.424373 0.619868
C	0.074954 -4.620827 -0.128239
C	-6.505334 0.480202 0.956297
C	-4.872227 2.655575 0.257722
C	-0.904517 -6.604333 0.864103
H	-7.124604 -0.386778 1.175081
H	-4.216217 3.473438 -0.020444
H	-1.582166 -7.044766 1.592286
C	-6.260009 2.796590 0.238002
C	-5.115414 0.337811 0.970905
C	-0.753752 -5.215111 0.836849
H	-6.726960 3.730585 -0.058235
H	-4.645671 -0.607296 1.220496
H	-1.268954 -4.574929 1.544950
C	1.835515 3.945498 -0.637942
C	4.119911 -0.471586 -0.989859
C	2.422540 5.274012 -0.934857
C	5.498017 -0.963291 -1.247074
C	3.693811 5.602174 -0.430531
C	6.546689 -0.595608 -0.385809
H	4.221024 4.870092 0.172721
H	6.324331 0.046848 0.460041
C	4.250506 6.854806 -0.712183
H	5.231661 7.112471 -0.324787
C	3.539068 7.778823 -1.495594
C	2.269029 7.450206 -1.998226
H	1.721414 8.167688 -2.601989
C	1.709245 6.198229 -1.719038
H	0.729361 5.919725 -2.092999
C	-5.892425 -0.465420 -2.590010
C	-3.115008 -0.126252 -2.577218
C	-3.953695 0.974783 -2.825781
C	-3.665264 -1.400149 -2.340215
H	-3.503075 1.946799 -2.997464
H	-2.993784 -2.230346 -2.144985
C	-5.342728 0.803755 -2.830349
C	-5.053446 -1.567381 -2.347730
H	-5.995536 1.652389 -3.009891
H	-5.483149 -2.547628 -2.164165
C	-1.649721 0.055339 -2.513771
C	1.230986 0.514955 3.378392
C	1.388667 0.616366 4.850710
C	2.472747 1.330488 5.390984
H	3.179839 1.796590 4.712454
C	2.619030 1.426377 6.779667
H	3.454863 1.977016 7.200998
C	1.684245 0.810156 7.628100
C	0.601524 0.096925 7.087182
H	-0.119384 -0.378139 7.745982
C	0.452349 -0.000811 5.699000
H	-0.374307 -0.545241 5.254060
C	0.740688 -5.415503 -1.076746
C	-0.227850 -7.404866 -0.076895
C	5.746955 -1.800166 -2.349179
C	7.843653 -1.062371 -0.630186
C	0.582015 -6.802422 -1.056384
H	1.369302 -4.927310 -1.813741
C	-0.362719 -8.893419 -0.103928
H	4.917172 -2.074144 -2.992908
C	7.044620 -2.265748 -2.590921
H	8.656149 -0.780975 0.033254
C	8.093573 -1.896610 -1.732409
H	1.073849 -7.436441 -1.787294
O	-0.726126 -9.503906 1.084468
O	-0.167917 -9.581282 -1.105076
H	7.240196 -2.914174 -3.439911
H	-8.821833 0.598078 1.994032
H	-0.675894 -8.914358 1.861560
O	1.250608 0.595341 -3.296396
H	2.021171 0.915377 -3.785016
H	0.386989 1.070357 -3.425483
H	3.972200 8.751325 -1.712814
H	9.100490 -2.259304 -1.920237
H	1.798960 0.885457 8.705999
H	-6.971372 -0.593711 -2.588616
 
