XYZ coordinates of the optimized structure at the HSE06/6-31+G* level
Cu	0.096297 0.015949 0.977859
Cu	0.551524 -0.190091 -1.869390
O	4.481595 4.645705 -3.588263
O	-5.277833 4.830948 -2.462318
O	0.915475 1.792960 0.748620
O	-1.665865 0.747183 0.949370
O	-7.145423 2.685318 3.317186
O	3.024241 7.602087 1.953462
O	2.425396 5.850512 3.248356
O	-5.972017 0.762934 3.509362
O	1.673901 1.384014 -1.382634
O	-1.542996 1.734701 -1.106608
O	-7.091901 4.966859 -1.070610
O	5.122679 6.596952 -2.575257
O	-3.638425 -4.942391 3.012863
O	5.415396 -2.107072 4.108945
O	-0.953787 -1.457530 -1.614731
O	1.886110 -1.487146 -1.171639
O	7.121934 -5.149145 -1.133817
O	-5.015644 -6.124033 -3.131202
O	-3.780068 -4.489529 -4.155791
O	5.589283 -4.500439 -2.709226
O	-0.674429 -1.782735 0.636873
O	1.855646 -0.778846 1.003156
O	6.723470 -3.890169 3.662836
O	-4.397781 -6.764857 1.918344
O	0.099679 -0.156997 3.125702
O	-0.454491 0.910429 -3.248409
H	-0.711489 -0.128067 3.656555
H	0.017106 1.540862 -3.816927
H	-1.081582 1.358036 -2.611784
H	0.804399 -0.678991 3.541938
H	4.093404 6.851394 -0.245813
H	-6.988253 3.636831 0.936338
H	3.113668 3.168523 -2.272916
H	-3.501740 3.239023 -1.573570
H	-3.718363 1.050324 2.102651
H	1.569343 3.882114 1.652645
H	-4.725691 -6.123505 -0.674957
H	6.821619 -4.281456 1.014152
H	-2.117716 -3.503206 1.587510
H	3.664596 -1.659727 2.386068
H	3.782777 -2.974706 -1.716513
H	-2.391120 -3.139476 -2.692036
C	4.497287 5.531004 -2.532737
C	-5.853615 4.486603 -1.421770
C	1.573522 2.100094 -0.317245
C	-2.138706 1.494144 -0.017744
C	-6.267718 1.950783 2.868453
C	2.784328 6.399099 2.033940
C	-3.820207 -5.514080 1.938060
C	5.792862 -2.945092 3.290676
C	-1.189308 -2.075080 -0.512862
C	2.357400 -1.452029 0.016208
C	5.997152 -4.465533 -1.542893
C	-4.208195 -5.187143 -3.054834
C	3.694297 5.056147 -1.381138
C	-5.310872 3.530613 -0.427243
C	2.288016 3.410739 -0.297360
C	-3.493444 2.073057 0.243852
C	-5.473903 2.270876 1.641401
C	2.859403 5.467855 0.863867
C	-3.440094 -4.911697 0.621650
C	5.279141 -2.996254 1.884588
C	-2.149688 -3.216743 -0.549059
C	3.588067 -2.242344 0.308912
C	5.361854 -3.711779 -0.436638
C	-3.600215 -4.698985 -1.794960
C	3.598083 5.884502 -0.254433
C	-6.020202 3.191544 0.732338
C	3.041292 3.814408 -1.405881
C	-4.048315 2.969590 -0.675498
C	-4.204881 1.723494 1.401972
C	2.194898 4.232937 0.835804
C	-3.981613 -5.332939 -0.600350
C	5.903445 -3.721753 0.859210
C	-2.527171 -3.844816 0.642646
C	4.128606 -2.244766 1.599633
C	4.200689 -2.978046 -0.714839
C	-2.683742 -3.639441 -1.775560
H	7.532124 -5.636103 -1.878631
H	5.021734 4.980277 -4.334334
H	2.413338 4.874245 3.270244
H	6.871710 -4.605886 3.015828
H	-4.193218 -4.827352 -4.977648
H	-7.430419 5.602470 -1.735050
H	-4.379325 -7.215093 1.052022
H	-5.417596 0.148046 2.991078
 
