XYZ coordinates of the optimized structure at the HSE06/6-31+G* level
Cu	1.337185 -0.388439 1.029298
Cu	1.692117 -0.039546 -2.158276
O	-2.818316 5.402637 -2.483669
O	6.485575 4.987222 -2.670681
O	0.138199 1.129440 1.116208
O	2.846453 0.691582 0.436858
O	4.930921 5.810010 3.438921
O	-6.086825 1.578655 1.585668
O	-4.358574 1.000181 2.944423
O	3.622953 4.063647 3.989031
O	0.386710 1.669566 -1.081522
O	3.194858 1.139922 -1.759814
O	6.926057 6.392453 -0.919792
O	-5.014881 4.824303 -2.255214
O	1.610687 -6.058030 2.870034
O	-5.181682 -3.346659 0.226244
O	2.424045 -1.805917 -1.626609
O	-0.099865 -0.735877 -2.446856
O	-5.760640 2.181513 -2.838148
O	3.262931 -8.103992 -2.997205
O	3.383201 -6.090197 -4.084451
O	-3.694165 2.460719 -3.787681
O	2.234274 -2.030959 0.649390
O	-0.389650 -1.402886 -0.290416
O	-6.851594 -1.888228 -0.124930
O	2.429800 -8.004795 2.127127
O	0.853663 -1.016683 2.850429
O	1.373485 1.205645 -3.724404
H	0.840347 -1.959046 3.133370
H	0.434999 1.351959 -3.933766
H	1.876019 2.032646 -3.613326
H	0.371138 -0.317975 3.406886
H	-5.332363 3.467784 -0.051346
H	5.818260 5.863792 1.170309
H	-1.303119 3.696176 -1.585329
H	4.986309 3.044047 -1.997962
H	3.269134 2.466625 1.900708
H	-2.226761 1.068916 1.697211
H	2.724620 -7.854101 -0.612613
H	-6.099470 0.039976 -1.762027
H	2.241111 -4.085803 1.492339
H	-2.943522 -2.549308 -0.364151
H	-2.044004 0.787214 -2.941399
H	3.014822 -4.122368 -2.717691
C	-3.824977 4.681403 -1.911603
C	6.327096 5.287319 -1.477610
C	-0.260204 1.715371 0.006692
C	3.341593 1.413640 -0.499220
C	4.372894 4.749855 3.110118
C	-4.853447 1.580103 1.884311
C	2.138599 -6.688570 1.939519
C	-5.593326 -2.262993 -0.265276
C	2.433448 -2.484101 -0.539533
C	-0.851341 -1.067775 -1.445846
C	-4.484880 1.780046 -3.110311
C	3.203094 -6.866742 -2.970119
C	-3.350275 3.729278 -0.884871
C	5.498624 4.531984 -0.512088
C	-1.610341 2.342118 0.069308
C	4.073213 2.631309 -0.079534
C	4.531275 4.224187 1.703412
C	-3.872358 2.239252 0.960018
C	2.458211 -6.059234 0.629178
C	-4.631962 -1.382108 -1.013989
C	2.621711 -3.964517 -0.599511
C	-2.323890 -0.907281 -1.631831
C	-4.117203 0.513434 -2.436561
C	2.936552 -6.064516 -1.751674
C	-4.287390 3.179186 0.007172
C	5.335339 4.959739 0.814631
C	-2.010339 3.307880 -0.861104
C	4.861347 3.365321 -0.968521
C	3.907070 3.057977 1.251559
C	-2.532876 1.835491 0.995072
C	2.716543 -6.766955 -0.554431
C	-5.058415 -0.261474 -1.744031
C	2.428439 -4.661138 0.594734
C	-3.260786 -1.690788 -0.946494
C	-2.760427 0.171639 -2.410172
C	2.878820 -4.660451 -1.785802
H	-5.884584 3.144080 -3.019290
H	-3.152396 5.962447 -3.215454
H	-4.799926 -0.354587 3.382799
H	-7.189708 -0.874702 -0.176123
H	3.556947 -6.633858 -4.881077
H	7.466107 6.871751 -1.581953
H	2.928253 -8.430258 1.402460
H	3.152175 3.168844 3.817427
H	-2.679861 2.275563 5.222987
H	-3.174924 1.461420 3.875862
O	-2.407431 1.718481 4.480272
H	-5.746046 -1.544054 4.088764
H	-4.234479 -2.304596 2.928414
O	-4.938193 -1.349052 3.594790
H	-1.051861 -2.242108 0.967231
H	-0.696159 -3.213309 2.279544
O	-1.399016 -2.821127 1.701217
H	-4.290800 -3.369708 1.568351
H	-2.675208 -2.917162 2.070154
O	-3.724299 -3.013290 2.310678
H	0.021557 -3.806947 4.321768
H	0.912003 -4.557372 3.205224
O	0.418976 -3.721560 3.438081
H	-7.052642 0.985334 0.589914
H	-8.489225 0.752258 -0.236562
O	-7.598435 0.423916 -0.056169
H	-0.981415 1.407681 4.126503
H	-0.150573 1.393618 2.691248
O	-0.092118 1.181172 3.667229
H	2.900195 1.015355 3.926732
H	1.414883 1.692164 3.909461
O	2.410880 1.847169 3.828609
 
