XYZ coordinates of the optimized structure at the HSE06/6-31+G* level
Cu	-0.638970 0.023782 0.586807
Cu	-0.896826 -0.031394 -2.351951
O	6.511347 1.945585 -2.393379
O	0.611476 5.459974 -4.332090
O	1.261830 0.335173 0.516666
O	-1.022889 2.011651 0.508809
O	-1.833184 8.395951 0.791708
O	6.055637 -1.040564 3.421735
O	4.549017 0.392952 4.320656
O	-1.625988 6.783123 2.369829
O	1.539749 2.049599 -0.976193
O	-1.334665 1.769982 -1.758583
O	-0.033307 7.577731 -3.773386
O	8.107698 1.227084 -0.918066
O	-5.911168 -1.784237 3.426159
O	1.734253 -5.639404 2.429531
O	-2.672577 -0.747821 -1.861034
O	-0.229486 -1.896239 -2.412019
O	4.918372 -5.530364 -3.035522
O	-8.747853 -2.811949 -2.240050
O	-7.056207 -2.178415 -3.650887
O	3.883184 -3.851246 -4.198051
O	-2.570622 -0.208728 0.356120
O	-0.417816 -1.937681 -0.138664
O	3.935525 -5.223909 1.999904
O	-8.072552 -1.949523 2.820048
O	-0.485114 -0.646185 2.776169
O	0.639340 0.439082 -3.382815
H	-1.411108 -0.735326 3.142260
H	1.468666 -0.170334 -3.287487
H	0.898043 1.419010 -3.541060
H	-0.015881 -1.511968 2.944219
H	7.103844 0.505137 1.306764
H	-0.754800 7.774623 -1.353493
H	4.237789 1.781438 -1.657061
H	-0.621736 3.744106 -2.915757
H	-1.723556 4.432721 1.176288
H	2.908348 0.600827 2.254828
H	-8.170966 -2.474957 0.134916
H	4.188653 -5.635294 -0.673621
H	-4.448650 -0.852156 1.637245
H	0.481181 -4.083402 0.834646
H	1.624568 -3.303664 -3.234188
H	-5.056427 -1.362421 -2.591980
C	6.916937 1.449068 -1.175739
C	0.035046 6.236124 -3.541091
C	1.994688 1.244640 -0.134837
C	-1.203044 2.478090 -0.688494
C	-1.603605 7.213489 1.111971
C	5.269060 -0.073205 3.303038
C	-6.746434 -1.791733 2.515948
C	2.648014 -5.329397 1.637440
C	-3.197148 -0.621968 -0.681397
C	-0.001108 -2.436982 -1.265849
C	3.921061 -4.608004 -3.211752
C	-7.611462 -2.349738 -2.408969
C	5.784957 1.220994 -0.248449
C	-0.588859 5.812566 -2.273770
C	3.426695 1.191755 0.260789
C	-1.204021 3.951363 -0.863478
C	-1.304021 6.209830 0.017364
C	5.036289 0.537438 1.955294
C	-6.369298 -1.646597 1.075222
C	2.336578 -4.953690 0.215466
C	-4.608739 -1.053008 -0.493162
C	0.925022 -3.593444 -1.216789
C	2.945954 -4.585058 -2.102607
C	-6.706901 -1.921771 -1.315088
C	6.075874 0.730179 1.037644
C	-0.875263 6.703324 -1.227674
C	4.456719 1.451398 -0.647428
C	-0.802064 4.438997 -2.106658
C	-1.445736 4.828024 0.205987
C	3.720201 0.781293 1.563735
C	-7.180914 -2.042181 0.003210
C	3.244857 -5.126362 -0.839744
C	-5.089106 -1.144337 0.815139
C	1.156970 -4.233654 0.005608
C	1.791758 -3.813046 -2.293168
C	-5.417878 -1.433278 -1.572437
H	5.571852 -5.500017 -3.765412
H	7.276096 2.092115 -2.988035
H	3.842505 1.165902 4.192643
H	4.392852 -4.278383 1.837035
H	-7.668370 -2.459290 -4.362825
H	0.425364 7.827610 -4.602915
H	-8.691776 -1.809494 2.077677
H	-1.194222 5.854964 2.707770
H	-2.249928 2.190895 3.902791
H	-2.199651 2.846171 5.451786
O	-1.709860 2.700207 4.627243
H	3.046753 -2.011975 -0.066020
H	4.568205 -1.905401 -0.529967
O	3.647075 -1.799448 -0.823127
H	3.116596 -1.249003 -2.195776
H	3.100492 -1.503177 -3.810135
O	2.718735 -0.979102 -3.085093
H	-1.113925 4.093778 3.842300
H	0.147373 4.272810 2.792818
O	-0.674565 4.701210 3.193265
H	0.695600 -3.950605 3.315060
H	-0.668166 -3.416882 2.560050
O	0.246889 -3.185759 2.901170
H	-2.713446 -2.483696 -2.336474
H	-2.135658 -3.881223 -2.890062
O	-2.763885 -3.467434 -2.276647
H	1.701047 2.892828 -2.552516
H	1.301537 3.673392 -3.950617
O	1.466511 2.816478 -3.504081
H	1.895643 -0.989728 1.217004
H	1.547263 -2.424964 1.928011
O	2.259772 -1.878354 1.510924
H	-4.044495 -5.149461 0.086421
H	-3.231631 -4.110693 -0.925070
O	-3.443297 -4.394795 0.020880
H	-2.750522 -2.026752 2.551492
H	-3.776625 -1.462366 3.727106
O	-3.007775 -1.247916 3.164238
H	1.896103 2.896269 2.618807
H	0.690483 2.720648 1.519774
O	1.182979 3.332201 2.099199
H	5.386122 -2.453740 2.324496
H	3.817491 -2.367705 1.826178
O	4.681474 -2.873644 1.777124
H	-2.658840 -3.717444 1.119491
H	-1.477575 -2.611814 0.952218
O	-2.041313 -3.074859 1.630517
H	0.203949 0.553519 3.718350
H	-0.287601 1.873997 4.575520
O	0.490243 1.302277 4.309955
H	-2.978993 0.470279 2.778949
H	-2.423364 1.709274 1.872593
O	-2.754059 1.435461 2.750900
H	2.959004 2.912833 4.712515
H	1.758937 1.749745 4.317555
O	2.762976 2.138414 4.158240
 
