XYZ coordinates of the optimized structure at the HSE06/6-31+G* level
Cu	-0.589210 -0.118352 -1.044499
Cu	-0.490189 -1.166313 1.673052
O	5.197182 -4.441625 2.261100
O	-5.639914 -5.755651 1.915924
O	1.176762 -0.891433 -1.196216
O	-1.484218 -1.906733 -1.140567
O	-7.068869 -2.908553 -3.736603
O	7.095439 -1.629867 -3.112458
O	5.331212 -0.354784 -3.703426
O	-5.639491 -1.151310 -3.635649
O	0.989362 -2.214506 0.675179
O	-1.898594 -2.320640 1.073210
O	-7.383709 -5.640467 0.438410
O	7.149698 -3.449615 1.604694
O	-4.099864 4.512291 -2.161882
O	4.357457 4.974125 0.028687
O	-1.843892 0.390273 1.972018
O	0.935376 0.027690 2.183265
O	7.150332 -0.555084 1.715334
O	-5.955840 4.987607 3.991288
O	-4.876330 3.166352 4.869434
O	5.528992 -1.403827 3.092313
O	-2.248054 0.571088 -0.275312
O	0.672972 1.390537 0.368892
O	6.234418 3.898113 -0.631420
O	-5.557447 5.811359 -1.078211
O	-0.524933 1.308365 -2.512111
O	-0.381431 -2.136912 3.544471
H	-1.319088 1.809122 -2.824446
H	0.334048 -1.921463 4.163130
H	-0.791482 -3.000415 3.707675
H	0.325230 1.822273 -2.526326
H	6.902898 -2.615758 -0.820723
H	-7.076990 -4.166493 -1.456134
H	3.203484 -3.240449 1.323791
H	-3.701546 -4.265528 1.236161
H	-3.498293 -1.959874 -2.387505
H	3.180852 -1.067969 -2.371104
H	-5.591482 5.221938 1.583482
H	6.607133 1.821894 0.986958
H	-3.216852 2.580900 -0.907912
H	2.572060 3.298917 0.601143
H	3.310027 -0.495546 2.491521
H	-3.583343 1.843904 3.299896
C	5.929583 -3.640587 1.438463
C	-6.122556 -5.300823 0.868215
C	1.625380 -1.755447 -0.341927
C	-2.168567 -2.426344 -0.190527
C	-6.100112 -2.346334 -3.206650
C	5.930628 -1.272151 -2.896257
C	-4.680601 4.771583 -1.096560
C	5.081893 3.948545 0.030954
C	-2.414240 0.923329 0.971230
C	1.349087 0.944769 1.368193
C	5.918648 -0.528807 2.299580
C	-5.232359 3.993863 3.837772
C	5.133604 -3.015945 0.359161
C	-5.440033 -4.356629 -0.044722
C	3.062664 -2.129167 -0.521352
C	-3.463840 -3.065581 -0.552403
C	-5.388486 -2.956771 -2.030039
C	5.135787 -1.804871 -1.746627
C	-4.448602 3.997610 0.156028
C	4.638508 2.711993 0.752185
C	-3.331197 2.085080 1.167586
C	2.777894 1.348961 1.508245
C	5.056781 0.586418 1.839428
C	-4.659857 3.565777 2.538191
C	5.826514 -2.496796 -0.741745
C	-6.066501 -3.863831 -1.202305
C	3.741772 -2.854966 0.465218
C	-4.147575 -3.930079 0.305776
C	-4.067495 -2.610374 -1.734481
C	3.753668 -1.617814 -1.631523
C	-4.965077 4.348095 1.412019
C	5.543090 1.720624 1.172343
C	-3.636761 2.861178 0.047679
C	3.260309 2.530589 0.935357
C	3.678151 0.407214 2.017162
C	-3.835195 2.435204 2.426226
H	7.602652 -1.420697 1.870016
H	5.730420 -4.749719 3.023417
H	4.545385 0.167840 -3.352493
H	6.420167 2.988384 -1.142418
H	-5.262673 3.460503 5.720722
H	-7.808958 -6.271885 1.055153
H	-6.041489 5.947916 -0.241154
H	-4.978857 -0.606388 -3.070341
H	5.335915 1.773598 -2.361287
H	6.921958 1.334863 -2.432003
O	6.255758 1.869127 -1.972650
H	-3.636152 1.138437 -2.933538
H	-3.494024 0.291359 -1.577000
O	-3.987885 0.368365 -2.423959
H	3.786125 2.048977 -3.864985
H	2.963346 1.851839 -2.447752
O	3.820074 1.599840 -3.001220
H	-3.219476 3.368420 -2.989340
H	-2.759785 2.693707 -4.397508
O	-2.771641 2.594268 -3.430682
H	1.874837 3.429627 -1.704505
H	1.436274 2.012763 -0.949726
O	1.771167 2.416865 -1.808992
H	2.990872 5.102355 -0.850558
H	1.701540 5.674253 -1.693041
O	2.181969 4.888318 -1.396444
 
