XYZ coordinates of the optimized structure at the HSE06/6-31+G* level
Cu	0.591883 -0.329517 0.883518
Cu	0.516609 -0.207294 -1.959696
O	6.238434 3.619128 -2.575543
O	-3.768434 5.634632 -0.881009
O	1.218827 1.543924 0.497312
O	-1.262005 0.230880 0.927006
O	-7.546761 0.786139 1.443730
O	3.508535 6.869117 2.452022
O	2.108658 5.205590 3.102183
O	-6.300922 -0.919243 0.552187
O	1.806444 1.270224 -1.695800
O	-0.987305 1.120883 -1.157488
O	-5.990131 5.274616 -0.527260
O	6.906554 5.378830 -1.272151
O	-3.912352 -2.523282 3.623440
O	5.025121 -3.388342 3.539585
O	-0.899858 -1.614847 -1.709420
O	2.036632 -1.579926 -1.714392
O	7.074626 -5.680229 -1.964972
O	-6.285518 -5.228421 -1.637546
O	-4.463289 -5.136534 -3.021279
O	5.697988 -4.732017 -3.531813
O	-0.096696 -2.184079 0.346409
O	2.346928 -0.932060 0.465394
O	6.916720 -4.398973 2.865317
O	-5.939973 -2.317237 2.642216
O	0.728287 -0.365356 3.002572
O	-0.145329 0.281625 -3.861965
H	-0.104758 -0.733545 3.380028
H	0.237520 0.003873 -4.705046
H	-0.952445 0.891873 -3.933379
H	1.519573 -0.957474 3.293516
H	5.232248 5.894822 0.584209
H	-6.600658 3.051661 0.269858
H	4.183398 2.562055 -1.960637
H	-2.416729 3.470232 -0.730407
H	-3.894585 -0.257793 0.782805
H	1.455622 3.909590 1.060184
H	-5.858443 -4.092947 0.581654
H	6.707802 -5.042132 0.248218
H	-2.178438 -2.120297 1.690848
H	3.784596 -2.190244 1.715491
H	4.031254 -3.091805 -2.481799
H	-2.603972 -3.863226 -2.222877
C	6.070730 4.504975 -1.533115
C	-4.690185 4.852676 -0.578770
C	1.861548 1.892037 -0.575368
C	-1.657932 0.948238 -0.088317
C	-6.517367 0.398415 0.888383
C	3.013394 5.763603 2.227993
C	-4.637490 -2.623809 2.612138
C	5.721329 -3.779751 2.598497
C	-0.975208 -2.258518 -0.594078
C	2.649796 -1.618221 -0.595379
C	6.050389 -4.841797 -2.351624
C	-5.118153 -4.869568 -1.839721
C	4.805437 4.282311 -0.795360
C	-4.523933 3.425430 -0.238723
C	2.746683 3.077191 -0.425404
C	-3.014426 1.553742 0.034192
C	-5.377005 1.291038 0.518733
C	3.331247 4.948933 1.012394
C	-4.081506 -3.064893 1.295652
C	5.325508 -3.610902 1.166364
C	-2.248079 -2.960378 -0.286281
C	3.812357 -2.533843 -0.402305
C	5.452826 -4.113853 -1.208796
C	-4.280675 -4.113166 -0.882761
C	4.524672 5.121832 0.297548
C	-5.601518 2.635420 0.194455
C	3.929728 3.239023 -1.152484
C	-3.238339 2.871780 -0.359094
C	-4.077062 0.767966 0.486004
C	2.429577 3.970433 0.601070
C	-4.839479 -3.785007 0.363912
C	5.915374 -4.312699 0.103209
C	-2.768099 -2.697308 0.987221
C	4.272275 -2.724373 0.906231
C	4.395752 -3.226288 -1.467968
C	-2.996103 -3.669100 -1.230634
H	7.451293 -6.156508 -2.733945
H	7.077939 3.792334 -3.050224
H	1.902820 4.227937 3.033142
H	7.475658 -4.574498 2.084283
H	-5.031407 -5.650894 -3.632035
H	-6.066804 6.229965 -0.732620
H	-6.289637 -1.912463 1.766753
H	-5.809492 -1.046334 -0.436953
H	1.740252 -2.921722 3.238930
H	3.252845 -2.499833 3.834910
O	2.365056 -2.194630 3.571126
H	-0.215141 5.436255 2.351272
H	-0.265968 3.836888 2.317064
O	-0.528675 4.666570 1.842982
H	1.174771 2.166987 2.043164
H	0.862336 1.999289 3.592401
O	0.998592 2.663728 2.890567
H	-2.611103 2.294809 -4.408507
H	-1.525152 2.636746 -3.161245
O	-2.122008 1.904995 -3.665330
H	-5.871989 -1.515690 -2.325860
H	-4.394793 -0.735122 -2.031578
O	-5.304569 -1.122924 -1.646821
H	-1.166097 -2.111525 5.093535
H	-2.321046 -2.279274 3.966243
O	-1.346859 -2.126071 4.138559
H	-0.311072 -3.187916 3.255039
H	0.248395 -3.297546 1.746704
O	0.413222 -3.552686 2.680769
H	-2.897363 0.595016 -2.888532
H	-2.371921 -0.866829 -2.406572
O	-3.171108 -0.311420 -2.563591
H	0.330336 3.063562 -2.658914
H	-0.655278 4.166138 -1.898775
O	-0.529782 3.516392 -2.684260
H	-1.853204 5.526979 -0.808579
H	-0.788399 4.887744 0.258888
O	-1.008471 5.038372 -0.710031
 
