XYZ coordinates of the optimized structure at the HSE06/6-31+G* level
Zn	1.016196 -1.639856 -3.572392
Zn	-1.278796 -2.391980 -1.310153
Zn	-1.238234 0.610927 -2.677670
Zn	1.145786 -0.276632 -0.571924
O	-0.089626 -0.927951 -2.040393
O	-1.636716 -10.435372 -5.240116
O	0.570443 -3.535296 -3.911031
O	0.623876 -0.627459 -5.223338
O	0.820062 -1.295989 1.080797
O	-14.165445 -7.711400 -3.811766
O	0.819606 1.632692 -0.220674
O	-0.857901 -2.741980 0.579499
O	-15.976784 -6.733798 -2.879675
O	-0.784129 2.258107 -1.702118
O	-3.171989 -1.882224 -1.483929
O	1.007974 0.928814 13.504727
O	-3.142989 0.191697 -2.409157
O	2.234664 -0.640925 14.630892
O	0.439560 -10.262126 -6.117321
O	-0.993134 -4.051420 -2.345411
O	-0.932856 0.908255 -4.607048
O	3.020221 -0.523948 -1.121807
O	13.639903 -7.920153 -5.199502
O	15.705394 3.976534 0.994804
O	2.936379 -1.491376 -3.174808
O	15.273138 -6.584647 -6.085356
O	14.169203 5.529300 0.313071
C	-0.633981 -9.745249 -5.415496
C	-0.245997 -4.359441 -3.348257
C	-0.174022 0.350886 -5.486012
C	-0.492167 -8.346033 -4.904472
C	-0.331698 -5.742537 -3.888392
C	-0.221492 0.863379 -6.881193
C	0.381526 -7.412176 -5.494344
C	-1.214655 -6.668033 -3.305804
C	0.554713 0.766403 -9.175435
H	0.969873 -7.669645 -6.372118
H	-1.820959 -6.352072 -2.463718
H	1.162464 0.278593 -9.934082
C	-1.299786 -7.963456 -3.818461
C	0.460809 -6.112316 -4.987165
C	0.595611 0.282920 -7.864887
H	-1.984537 -8.692448 -3.397005
H	1.118730 -5.371891 -5.429420
H	1.242766 -0.541894 -7.586442
C	-0.002729 -2.236314 1.405283
C	-14.789170 -6.643921 -3.190253
C	0.038878 2.519355 -0.741329
C	0.035168 -2.759366 2.790070
C	-13.956258 -5.432148 -2.930876
C	0.088501 3.900903 -0.210707
C	0.956791 -2.238028 3.714367
C	-12.772462 -5.148280 -3.636475
C	0.957534 4.217199 0.847752
H	1.638555 -1.459082 3.388946
H	-12.428145 -5.793609 -4.441967
H	1.591355 3.435683 1.253924
C	0.990701 -2.731104 5.019704
C	-12.046107 -3.987413 -3.356932
C	0.446477 -8.261720 9.656195
C	-11.849225 3.031249 -1.617168
H	1.726969 -2.344854 5.718548
H	-11.156424 -3.762683 -3.937704
H	1.209559 -7.734268 10.220859
H	-10.956266 3.059197 -2.234553
C	0.106351 -3.751079 5.430887
C	-12.480629 -3.081918 -2.368224
C	-0.268876 -7.582730 8.649321
C	-12.348691 1.789910 -1.170246
C	-0.813185 -4.265150 4.491941
C	-13.676212 -3.369494 -1.677173
C	-1.207052 -8.312195 7.889256
C	-13.538042 1.782471 -0.414541
H	-1.520974 -5.030232 4.797747
H	-14.020324 -2.696320 -0.897488
H	-1.785261 -7.806128 7.121885
H	-13.938849 0.840489 -0.052056
C	-0.850021 -3.777295 3.184622
C	-14.408823 -4.522515 -1.959124
C	-1.426133 -9.668858 8.128704
C	-14.198107 2.973661 -0.100820
H	-1.559543 -4.162387 2.459513
H	-15.332815 -4.742426 -1.433293
H	-2.142509 -10.233283 7.539737
H	-15.130576 2.918012 0.457106
C	0.140874 -4.270912 6.819282
C	-11.706644 -1.853228 -2.068921
C	-0.033328 -6.142162 8.390027
C	-11.643889 0.525954 -1.492731
C	-0.078741 -5.635137 7.079412
C	-12.366041 -0.649659 -1.763244
H	-0.229660 -6.317943 6.248085
H	-13.451418 -0.614367 -1.794619
C	0.410378 -3.411285 7.898582
C	-10.301467 -1.867301 -2.101905
C	0.238877 -5.259987 9.450384
C	-10.239098 0.483777 -1.533244
H	0.581501 -2.355547 7.708914
H	-9.782102 -2.792115 -2.336772
H	0.219494 -5.630475 10.471514
H	-9.670739 1.371744 -1.271290
C	0.463250 -3.891415 9.218665
C	-9.554679 -0.706177 -1.837042
C	0.735185 -2.968762 10.347210
C	-8.072406 -0.739257 -1.860442
C	1.259860 -1.212987 12.494223
C	-5.252423 -0.799210 -1.908548
C	0.484458 -0.781020 11.404054
C	-5.972227 -1.898040 -1.408682
C	1.771845 -2.522746 12.511276
C	-5.941292 0.329871 -2.383970
H	0.085918 0.227450 11.402971
H	-5.422696 -2.756945 -1.037522
H	2.375513 -2.836744 13.357387
H	-5.368732 1.165013 -2.774054
C	0.226686 -1.653096 10.344149
C	-7.367590 -1.865886 -1.386073
C	1.511416 -3.388229 11.448514
C	-7.336657 0.356778 -2.358880
H	-0.398666 -1.321092 9.520540
H	-7.915981 -2.706307 -0.970382
H	-7.862953 1.220274 -2.755450
C	-3.772037 -0.831485 -1.935131
C	1.561028 -0.328403 13.637819
C	3.593629 -1.019119 -2.166894
C	14.233090 -6.692884 -5.418853
C	14.528788 4.343964 0.373457
C	5.072874 -1.047127 -2.214023
C	13.500704 -5.578303 -4.785422
C	13.788772 3.194152 -0.183491
C	5.821579 -0.537771 -1.138913
C	12.326108 -5.787856 -4.041759
C	14.264803 1.876443 -0.066846
H	5.294623 -0.136678 -0.279300
H	11.948289 -6.796944 -3.919778
H	15.198596 1.693545 0.453188
C	7.216317 -0.563934 -1.185568
C	11.667481 -4.702368 -3.460365
C	13.529441 0.820147 -0.608743
H	7.787323 -0.195499 -0.338274
H	10.777958 -4.876472 -2.861888
H	13.889474 -0.197379 -0.487646
C	7.893198 -1.096931 -2.303373
C	12.162622 -3.389644 -3.607320
C	12.309261 1.053189 -1.277110
C	7.128610 -1.604977 -3.375386
C	11.844659 2.381223 -1.387652
C	13.342524 -3.194589 -4.356578
H	7.631753 -1.991850 -4.256848
H	10.923231 2.585377 -1.925138
H	13.724095 -2.188823 -4.506360
C	5.733603 -1.581754 -3.333583
C	12.573727 3.440978 -0.847483
C	14.005873 -4.274763 -4.939522
H	5.139346 -1.962401 -4.157896
H	12.225502 4.465512 -0.936733
H	14.909446 -4.129895 -5.523873
C	9.375183 -1.121686 -2.350735
C	11.459324 -2.240424 -2.987705
C	11.531317 -0.071840 -1.850201
C	10.125998 -0.062405 -1.811631
C	10.054885 -2.204408 -2.935652
C	12.184881 -1.167157 -2.441600
H	9.610907 0.779098 -1.357323
H	9.484687 -3.028407 -3.354910
H	13.270368 -1.184662 -2.477194
C	-1.091553 1.916795 -7.211245
C	-0.305851 1.830887 -9.506586
C	-0.733580 4.898786 -0.761932
C	1.000552 5.518978 1.349252
C	0.222836 -9.618200 9.906753
C	-12.508025 4.222094 -1.311595
C	-0.725166 -10.332321 9.150888
C	-13.681043 4.207495 -0.536486
C	-1.139112 2.392569 -8.522627
H	-1.717684 2.340095 -6.433224
C	-0.406087 2.377481 -10.895956
H	-1.403911 4.633956 -1.573111
C	-0.685759 6.199252 -0.256784
H	1.695238 5.762858 2.147825
C	0.180214 6.530891 0.806779
H	0.832056 -10.114783 10.659150
H	-12.137373 5.176421 -1.672858
C	-0.999452 -11.785340 9.354807
C	-14.340959 5.515560 -0.248920
H	-1.813669 3.193763 -8.807238
O	0.692063 2.193560 -11.716212
O	-1.395596 2.968077 -11.325281
H	-1.345048 6.958215 -0.668031
C	0.226958 7.911892 1.344441
O	-0.658664 -12.318214 10.586400
O	-1.504873 -12.511847 8.499548
O	-14.139928 6.539361 -0.901702
O	-15.219687 5.551961 0.820161
C	0.099466 9.019176 0.487421
C	0.400051 8.136832 2.721555
C	0.143805 10.333092 0.986028
H	0.023129 8.856769 -0.584015
C	0.446591 9.440189 3.246870
H	0.442110 7.287932 3.398077
C	0.028573 11.492065 0.068520
C	0.317334 10.529011 2.367132
C	0.611276 9.660830 4.703918
C	0.780996 12.663794 0.286544
C	-0.828334 11.446611 -1.051091
H	0.351920 11.540215 2.762707
C	-0.060181 10.716069 5.356082
C	1.443993 8.817264 5.469728
C	0.670861 13.758763 -0.574792
H	1.485635 12.703832 1.111907
C	-0.934151 12.533680 -1.918875
H	-1.432489 10.561795 -1.228549
H	-0.730373 11.356835 4.790477
C	0.093084 10.925798 6.728248
H	1.992496 8.017188 4.981194
C	1.600425 9.019971 6.841102
C	-0.197622 13.707284 -1.680735
H	1.307375 14.623473 -0.398772
H	-1.587724 12.497756 -2.785019
H	-0.431052 11.732472 7.228665
C	0.925429 10.076613 7.478263
H	2.245646 8.378935 7.434111
C	-0.348614 14.833540 -2.648761
C	1.118177 10.255868 8.931188
O	0.017004 16.092654 -2.203870
O	-0.775636 14.696698 -3.794855
O	0.412038 11.327475 9.439085
O	1.828768 9.543686 9.656304
H	-13.193393 -7.633068 -3.860023
H	-15.186259 4.760213 1.390479
H	-0.443278 -11.648087 11.263168
H	1.228165 1.487671 14.278801
H	1.253642 -9.726695 -6.051100
H	14.153985 -8.633540 -5.631711
H	1.492857 1.889122 -11.247294
H	0.165228 16.145861 -1.240218
H	0.563000 11.415077 10.403195
H	16.167978 4.763488 1.350735
H	1.936739 -4.387618 11.456006
 
