XYZ coordinates of the optimized structure at the HSE06/6-31+G* level
Cu	0.264686 0.363896 0.764201
Cu	1.007470 -0.338650 -1.964363
O	6.546162 2.796106 -3.443858
O	-6.410214 3.903544 -2.223615
O	1.452968 1.891731 0.161845
O	-1.427944 1.371029 0.865405
O	-6.623428 2.419647 4.099073
O	4.925235 7.086045 1.084423
O	3.565989 5.853946 2.402469
O	-5.535991 0.430575 4.012547
O	2.497317 0.891294 -1.620882
O	-2.097122 1.490755 -1.324608
O	-7.966452 3.895006 -0.545057
O	7.504420 4.690931 -2.585040
O	-5.106201 -1.442016 2.183292
O	4.552106 -2.462334 4.677998
O	-0.612869 -1.468073 -2.123564
O	1.981062 -1.788820 -1.120123
O	6.218776 -6.412407 0.065609
O	-6.165175 -4.489629 -3.384812
O	-4.121693 -4.186327 -4.376689
O	5.097366 -5.655500 -1.783969
O	-0.838028 -1.195879 0.137043
O	1.862303 -0.783201 0.935702
O	5.471824 -4.521118 4.607011
O	-6.816744 -2.658999 1.397639
O	0.169589 0.562548 2.874746
O	-0.047597 1.152752 -2.604095
H	-0.582199 1.085693 3.197122
H	0.369532 1.947831 -2.971807
H	-0.952477 1.319817 -2.071737
H	0.715123 0.176700 3.576336
H	6.145030 5.658797 -0.648135
H	-7.269296 2.913965 1.540933
H	4.549370 2.027459 -2.350044
H	-4.234361 2.762202 -1.522787
H	-3.465167 1.047846 2.346970
H	2.511915 3.888023 0.921654
H	-6.267134 -3.523077 -1.133774
H	5.836296 -5.244962 2.051584
H	-3.022062 -1.528472 0.946821
H	3.191432 -1.874741 2.665989
H	3.563530 -3.675635 -1.230602
H	-2.474717 -2.989236 -3.059146
C	6.600161 3.847873 -2.557349
C	-6.726679 3.600437 -1.064943
C	2.387861 1.812663 -0.711832
C	-2.310348 1.564265 -0.063863
C	-5.926225 1.618179 3.469805
C	4.319726 6.030861 1.260301
C	-5.553499 -2.166264 1.284257
C	4.837279 -3.454865 4.008505
C	-1.246978 -1.606677 -1.012527
C	2.301178 -1.678998 0.123997
C	5.341994 -5.563780 -0.575826
C	-5.005270 -4.056568 -3.337398
C	5.470316 3.838544 -1.597419
C	-5.854303 2.897774 -0.096842
C	3.443687 2.866635 -0.699181
C	-3.699355 1.893211 0.380158
C	-5.438290 1.908006 2.080012
C	4.351464 4.895557 0.284184
C	-4.746415 -2.491946 0.075606
C	4.519550 -3.569396 2.549384
C	-2.605633 -2.221290 -1.043829
C	3.270024 -2.675949 0.664942
C	4.750028 -4.564089 0.343717
C	-4.418460 -3.352798 -2.172106
C	5.395511 4.872308 -0.653839
C	-6.284789 2.605129 1.206161
C	4.495452 2.829513 -1.623130
C	-4.564278 2.535744 -0.514042
C	-4.141656 1.561095 1.671181
C	3.368928 3.895362 0.252552
C	-5.245034 -3.156569 -1.053638
C	5.096736 -4.528835 1.704338
C	-3.418360 -2.041701 0.077959
C	3.616951 -2.634646 2.019837
C	3.831734 -3.643257 -0.179477
C	-3.099694 -2.873002 -2.180731
H	6.604937 -7.061605 -0.558524
H	7.301095 2.821433 -4.068085
H	3.249714 4.941692 2.548386
H	5.541016 -5.325376 4.058141
H	-4.527116 -4.647093 -5.140682
H	-8.519412 4.370228 -1.199545
H	-7.109059 -3.258285 0.684296
H	-5.333678 -0.293350 3.359884
 
