XYZ coordinates of the optimized structure at the HSE06/6-31+G* level
Cu	-0.547639 0.227877 -1.173655
Cu	-1.029759 -0.240136 1.816843
O	2.441934 -5.306709 1.831554
O	-6.800528 -2.257772 3.124896
O	-0.228521 -1.385781 -2.198246
O	-2.455289 -0.434820 -0.877252
O	-7.642404 -2.483457 -3.380846
O	6.161581 -1.742377 -1.835541
O	4.625342 -0.517696 -2.976042
O	-5.384473 -2.660751 -3.602176
O	-0.717107 -3.590404 -1.924104
O	-2.887813 0.186000 1.284776
O	-8.635403 -2.539209 1.783490
O	4.621894 -5.501688 1.162230
O	-1.130924 6.113912 -2.608219
O	6.030115 2.338637 -1.013605
O	-0.670595 1.670888 1.812947
O	0.918642 -0.692175 1.640530
O	6.946453 -2.594220 2.669292
O	-0.494211 7.906578 3.496915
O	-0.288462 5.849469 4.488161
O	4.861742 -3.174158 3.421031
O	-1.131909 1.926858 -0.411710
O	1.243772 0.595725 -0.207068
O	7.212928 0.442127 -1.419595
O	-1.743702 7.992260 -1.551870
O	0.174101 1.281912 -3.021878
O	-1.499498 -2.012510 2.253694
H	0.002963 2.265633 -3.128356
H	-0.739660 -2.676365 2.378849
H	-2.473000 -2.409468 2.278842
H	-0.194108 0.738736 -3.741813
H	5.206731 -3.555967 -0.471672
H	-7.961626 -2.601968 -0.633612
H	0.985796 -4.426108 -0.030520
H	-5.120366 -0.704809 2.009232
H	-4.491144 -0.624181 -2.234391
H	2.286681 -1.352107 -2.724719
H	-0.899346 7.746101 1.071976
H	6.992553 -0.864190 0.963420
H	-1.462403 4.067474 -1.160844
H	3.584287 1.280993 -0.547209
H	3.082429 -1.693609 2.535346
H	-0.572639 3.940310 3.031557
C	3.503728 -5.019184 0.971269
C	-7.345176 -2.145946 2.011391
C	0.093245 -2.618770 -1.851573
C	-3.260872 -0.202446 0.115599
C	-6.510577 -2.290553 -2.927512
C	4.955576 -1.507028 -2.229185
C	-1.362344 6.688390 -1.530499
C	6.250726 1.121520 -0.810822
C	-0.942608 2.381907 0.778584
C	1.692777 -0.071846 0.804220
C	5.586801 -2.446667 2.725085
C	-0.507885 6.671203 3.414883
C	3.131015 -4.074054 -0.100079
C	-6.662290 -1.633137 0.806163
C	1.499249 -2.867140 -1.421535
C	-4.679379 -0.586845 -0.093549
C	-6.255446 -1.678028 -1.581297
C	3.868153 -2.376233 -1.670820
C	-1.222798 5.999979 -0.218840
C	5.387922 0.345349 0.151131
C	-1.011303 3.862628 0.916869
C	3.160319 -0.190607 0.968601
C	5.088147 -1.357820 1.853571
C	-0.764637 5.916852 2.163106
C	4.169558 -3.367163 -0.730894
C	-7.066789 -2.005985 -0.485768
C	1.793710 -3.849520 -0.466760
C	-5.468652 -0.925186 1.007389
C	-5.103386 -0.913479 -1.387731
C	2.531349 -2.120429 -2.001498
C	-0.976484 6.663204 0.992375
C	5.931602 -0.640365 0.989951
C	-1.256121 4.601513 -0.241556
C	4.008571 0.564162 0.142473
C	3.706572 -1.122165 1.857160
C	-0.769500 4.513096 2.132181
H	7.246536 -3.361500 3.199763
H	2.736697 -5.917639 2.539562
H	3.564662 0.421209 -3.162512
H	6.931318 -0.573287 -1.646800
H	-0.116262 6.358286 5.307900
H	-9.048569 -2.911184 2.590868
H	-2.025083 8.359895 -0.691054
H	-4.517242 -2.714107 -3.082143
H	-2.257964 -3.268707 -2.250821
H	-2.871225 -1.882965 -1.810586
O	-3.141964 -2.787052 -2.121183
H	4.760946 3.105656 -1.757934
H	3.106503 3.416489 -1.468279
O	3.841808 3.197874 -2.135544
H	-3.981719 -3.467930 1.304659
H	-4.484951 -2.895865 2.800774
O	-3.735979 -3.025371 2.195376
H	1.021983 3.515127 -1.538092
H	1.499972 2.288935 -0.572907
O	1.678207 3.214880 -0.866945
H	-0.339224 4.703520 -3.009374
H	0.993380 4.137153 -3.742196
O	0.264405 3.915165 -3.135466
H	1.149360 -2.396091 2.218871
H	1.217112 -4.033922 2.312024
O	0.685492 -3.224169 2.464848
H	-4.424956 -4.940198 -0.229892
H	-3.827512 -3.550785 -0.878229
O	-4.222529 -4.006885 -0.068950
H	1.957724 1.118791 -3.082143
H	3.428200 2.241057 -2.752342
O	2.933027 1.249648 -3.168523
 
