XYZ coordinates of the optimized structure at the HSE06/6-31+G* level
Zn	-0.036784 0.687790 1.470716
Zn	1.565535 -1.584709 -0.183662
Zn	-0.460717 0.502440 -1.835447
Zn	-1.621439 -1.903857 0.264841
O	-0.158719 -0.570977 -0.090004
O	8.995368 1.643214 0.093729
O	1.873223 1.198065 1.710093
O	-1.114448 2.303382 1.083648
O	-0.836776 -3.727112 0.140720
O	-3.059988 -1.841244 -1.075460
O	1.386513 -3.523203 -0.271622
O	-1.803635 -0.763592 -2.629893
O	2.712801 -0.671421 -1.517922
O	1.439112 1.045611 -2.276953
O	8.545932 3.561503 1.204825
O	2.635101 -0.913776 1.383117
O	-1.590546 2.068436 -1.127332
O	-2.245024 -1.674911 2.123826
O	-0.893404 -0.107130 3.060770
C	8.193268 2.301895 0.756645
C	2.837167 0.349022 1.563018
C	-1.747880 2.641372 0.013961
C	6.818959 1.833218 1.099206
C	4.229538 0.865322 1.506293
C	-2.719602 3.769140 0.117364
C	5.744230 2.733687 1.219886
C	5.304190 -0.034756 1.409640
C	-3.730382 5.543484 1.425886
H	5.892125 3.802021 1.081213
H	5.099573 -1.098761 1.462872
H	-3.761250 6.117652 2.349186
C	6.596343 0.448856 1.202051
C	4.450480 2.249161 1.426229
C	-2.818701 4.489476 1.318670
H	7.436767 -0.228133 1.085485
H	3.598394 2.917847 1.483478
H	-2.174685 4.211329 2.145995
C	0.318068 -4.239941 -0.101144
C	-2.868993 -1.391616 -2.276397
C	0.442679 -5.713754 -0.190349
C	-3.931925 -1.609867 -3.289229
C	-0.695885 -6.520738 -0.016682
C	-5.106980 -2.298550 -2.941924
H	-1.649499 -6.041866 0.181154
H	-5.213804 -2.666476 -1.926514
C	-0.579779 -7.912667 -0.102093
H	-1.456218 -8.539894 0.030921
C	0.670958 -8.497897 -0.360672
C	1.807352 -7.690462 -0.534375
H	2.772389 -8.146337 -0.734661
C	1.695143 -6.297995 -0.449689
H	2.556153 -5.650620 -0.580393
C	6.154566 2.805933 -2.648608
C	3.821539 1.298480 -2.278435
C	5.080623 0.711855 -2.058333
C	3.731495 2.640907 -2.687347
H	5.122769 -0.323219 -1.736155
H	2.749763 3.078879 -2.837620
C	6.245713 1.465000 -2.241311
C	4.897425 3.393123 -2.872090
H	7.218870 1.020883 -2.054515
H	4.830876 4.431069 -3.185274
C	2.588798 0.511119 -2.021131
C	-1.815541 -1.009080 3.143076
C	-2.410070 -1.290958 4.472499
C	-3.419531 -2.262065 4.595291
H	-3.745860 -2.790106 3.705115
C	-3.979044 -2.527655 5.850442
H	-4.758834 -3.276904 5.949821
C	-3.530369 -1.825779 6.981609
C	-2.520846 -0.856645 6.857729
H	-2.174789 -0.317525 7.734672
C	-1.959967 -0.587747 5.603922
H	-1.177688 0.154026 5.479265
C	-3.531794 4.109095 -0.977627
C	-4.551440 5.879469 0.332392
C	-3.755163 -1.117340 -4.594717
C	-6.106896 -2.493585 -3.902235
C	-4.439087 5.164665 -0.873561
H	-3.446899 3.532276 -1.892210
C	-5.533415 7.006339 0.382731
H	-2.834097 -0.592410 -4.830110
C	-4.756600 -1.315170 -5.552403
H	-7.016860 -3.024869 -3.639095
C	-5.932324 -2.002660 -5.206875
H	-5.069301 5.451589 -1.709388
O	-5.990948 7.375906 1.634462
O	-5.941163 7.600364 -0.614458
H	-4.624447 -0.939605 -6.562932
H	7.921409 3.932355 1.858575
H	-5.766660 6.741686 2.342579
O	-0.775527 1.621647 -3.656556
H	-1.474845 2.284397 -3.527130
H	0.061155 2.009617 -3.967048
H	0.759633 -9.578838 -0.426966
H	-6.708808 -2.155974 -5.951473
H	-3.964653 -2.034023 7.955658
H	7.060607 3.389790 -2.785743
 
