XYZ coordinates of the optimized structure at the HSE06/6-31+G* level
Zn	-0.452906 -0.517982 1.094530
Zn	-0.400916 2.047872 -0.923428
Zn	1.163275 -0.739486 -1.722851
Zn	2.324761 1.229420 0.672602
O	0.662678 0.531231 -0.190335
O	-9.108822 2.724589 -0.215208
O	-2.330895 0.128814 0.974513
O	-0.406621 -2.450886 0.727843
O	2.500679 3.124389 0.093516
O	3.923801 0.265278 0.056855
O	0.666325 3.669492 -1.135339
O	3.183902 -0.786252 -1.816538
O	-1.160186 1.281719 -2.647959
O	-0.882729 -0.941962 -2.290262
O	-9.335121 1.078122 1.318749
O	-2.115875 2.203949 0.069011
O	1.017504 -2.629268 -1.039203
O	2.108743 1.095759 2.627572
O	0.225542 -0.147982 2.914385
C	-8.562870 1.898432 0.515306
C	-2.825989 1.244143 0.563631
C	0.241403 -3.138816 -0.155440
C	-7.083018 1.708362 0.593642
C	-4.300998 1.422374 0.620554
C	0.077073 -4.620562 -0.128099
C	-6.505601 0.477072 0.956908
C	-4.873589 2.653300 0.258447
C	-0.900657 -6.604496 0.865094
H	-7.124428 -0.390232 1.175666
H	-4.217996 3.471514 -0.019667
H	-1.577557 -7.045222 1.593795
C	-6.261440 2.793603 0.238693
C	-5.115609 0.335389 0.971546
C	-0.750641 -5.215190 0.837617
H	-6.728865 3.727371 -0.057513
H	-4.645389 -0.609487 1.221112
H	-1.265692 -4.575223 1.546022
C	1.833354 3.946561 -0.637337
C	4.119719 -0.469847 -0.991685
C	2.419496 5.275633 -0.933478
C	5.497879 -0.961078 -1.249562
C	3.690738 5.604170 -0.429325
C	6.546818 -0.593073 -0.388766
H	4.218583 4.871956 0.173214
H	6.324634 0.049258 0.457227
C	4.246606 6.857338 -0.710231
H	5.227736 7.115290 -0.322963
C	3.534370 7.781513 -1.492728
C	2.264361 7.452519 -1.995190
H	1.716129 8.170123 -2.598248
C	1.705403 6.200007 -1.716747
H	0.725563 5.921199 -2.090597
C	-5.893032 -0.467485 -2.589264
C	-3.115762 -0.127092 -2.576746
C	-3.954965 0.973607 -2.825057
C	-3.665429 -1.401264 -2.339867
H	-3.504800 1.945850 -2.996652
H	-2.993564 -2.231196 -2.144839
C	-5.343923 0.801970 -2.829481
C	-5.053538 -1.569108 -2.347248
H	-5.997127 1.650338 -3.008833
H	-5.482779 -2.549575 -2.163769
C	-1.650549 0.055140 -2.513437
C	1.232236 0.514842 3.378027
C	1.390782 0.615855 4.850272
C	2.475374 1.329547 5.390091
H	3.182207 1.795607 4.711262
C	2.622489 1.425061 6.778711
H	3.458718 1.975366 7.199690
C	1.688023 0.808895 7.627535
C	0.604792 0.096094 7.087074
H	-0.115866 -0.378928 7.746178
C	0.454784 -0.001266 5.698955
H	-0.372283 -0.545356 5.254363
C	0.742546 -5.414978 -1.077020
C	-0.224250 -7.404749 -0.076320
C	5.746595 -1.797806 -2.351827
C	7.843837 -1.059363 -0.633771
C	0.584608 -6.801970 -1.056445
H	1.370358 -4.926470 -1.814488
C	-0.358383 -8.893371 -0.103136
H	4.916611 -2.072029 -2.995193
C	7.044314 -2.262918 -2.594195
H	8.656541 -0.777710 0.029307
C	8.093538 -1.893455 -1.736152
H	1.076231 -7.435804 -1.787657
O	-0.720579 -9.503941 1.085590
O	-0.163995 -9.581218 -1.104376
H	7.239724 -2.911229 -3.443312
H	-8.822260 0.593623 1.994444
H	-0.670016 -8.914306 1.862596
O	1.249350 0.596404 -3.296398
H	2.019750 0.915983 -3.785580
H	0.385646 1.071145 -3.425592
H	3.966853 8.754432 -1.709373
H	9.100495 -2.255784 -1.924470
H	1.803382 0.883904 8.705387
H	-6.971921 -0.596250 -2.587766
 
