XYZ coordinates of the optimized structure at the HSE06/6-31+G* level
Cu	0.741556 0.034275 0.905051
Cu	0.909553 -0.505615 -2.012928
O	-4.591687 -4.055975 -3.018109
O	6.359713 -4.697644 -2.736216
O	-0.877511 -0.955032 1.163198
O	1.871399 -1.615949 0.655103
O	5.286265 -5.803190 3.600689
O	-6.668672 -2.684797 2.854671
O	-5.193115 -1.095419 3.517462
O	3.990390 -3.993938 4.042117
O	-0.675958 -1.646175 -0.999590
O	2.165179 -1.916261 -1.589380
O	7.332074 -5.837414 -1.005410
O	-6.622993 -3.278737 -2.314343
O	3.438831 4.970336 2.908717
O	-4.435859 4.734902 0.783590
O	2.251593 0.971682 -1.723437
O	-0.533387 0.759300 -2.320097
O	-6.737759 -0.426872 -2.175755
O	5.547368 6.438206 -2.983523
O	4.777103 4.608082 -4.129074
O	-4.960397 -1.032118 -3.488313
O	2.247695 1.154002 0.555867
O	-0.412107 1.518287 -0.181918
O	-6.336793 3.511130 0.947225
O	4.956417 6.446490 2.182712
O	0.841300 0.658167 2.918946
O	0.458230 -1.459971 -3.780189
H	1.207826 1.570485 3.095488
H	-0.373679 -1.252105 -4.235604
H	0.739328 -2.384100 -3.881282
H	-0.005774 0.520318 3.378200
H	-6.492630 -2.993176 0.296333
H	6.272800 -5.602291 1.151818
H	-2.757578 -2.788323 -1.863305
H	4.338933 -3.352133 -1.990726
H	2.614482 -3.499990 1.941904
H	-2.916776 -1.578664 2.251463
H	5.055746 6.319029 -0.580694
H	-6.391846 1.743944 -0.997950
H	3.155110 2.986284 1.452198
H	-2.520343 3.320124 0.037477
H	-2.858269 0.008390 -2.717959
H	3.686479 2.904360 -2.795320
C	-5.404145 -3.440527 -2.113930
C	6.368047 -5.015511 -1.538210
C	-1.321973 -1.579442 0.101198
C	2.403073 -2.224121 -0.360498
C	4.621680 -4.843665 3.191894
C	-5.631696 -2.041784 2.648806
C	4.145392 5.377064 1.971096
C	-5.099083 3.725683 0.474965
C	2.578651 1.549886 -0.630457
C	-1.061108 1.332330 -1.292018
C	-5.464719 -0.279380 -2.634681
C	4.982285 5.336187 -2.987392
C	-4.689698 -2.977524 -0.903496
C	5.372931 -4.574337 -0.534002
C	-2.706486 -2.119370 0.187527
C	3.387992 -3.284436 -0.045413
C	4.488909 -4.533861 1.727412
C	-4.802714 -2.259349 1.415025
C	4.124766 4.736165 0.627874
C	-4.513295 2.675487 -0.429159
C	3.353345 2.822036 -0.661305
C	-2.514556 1.632917 -1.337035
C	-4.708424 0.797857 -1.952787
C	4.458906 4.657515 -1.776179
C	-5.430682 -2.767581 0.268775
C	5.458870 -4.970261 0.812136
C	-3.323250 -2.661380 -0.947393
C	4.354101 -3.704919 -0.964178
C	3.424573 -3.757089 1.273287
C	-3.435949 -1.954657 1.376200
C	4.600780 5.330405 -0.550249
C	-5.314471 1.748983 -1.118008
C	3.519444 3.477137 0.559410
C	-3.114259 2.609440 -0.529064
C	-3.315477 0.761252 -2.086271
C	3.824097 3.405706 -1.843337
H	-7.131398 -1.289471 -2.455409
H	-5.070374 -4.243017 -3.852723
H	-4.583433 -0.370929 3.140223
H	-6.593826 2.521864 1.153265
H	5.127133 5.066911 -4.921214
H	7.973822 -6.121909 -1.688908
H	5.560201 6.669885 1.447663
H	3.612310 -3.117381 3.701806
H	-5.639877 0.954723 1.962377
H	-7.262254 0.652376 2.099238
O	-6.570222 1.151876 1.640436
H	-2.134459 3.117102 2.551379
H	-3.623797 3.854049 2.717263
O	-3.109350 3.042037 2.873202
H	-3.676289 1.821079 2.655329
H	-3.545310 0.581516 1.536642
O	-4.052712 0.860917 2.319686
H	2.564715 -1.028115 3.859355
H	2.579850 -1.555993 2.343690
O	2.899551 -1.716435 3.262610
H	1.209673 3.451784 4.394004
H	2.233690 3.854737 3.219132
O	1.478298 3.253177 3.479716
H	0.048778 3.293415 2.411333
H	-0.653989 2.526976 1.120948
O	-0.788668 3.035582 1.962871
 
