Copper CATION N = 3 1 -1.247776 0.140641 0.000001 2 0.000760 2.109265 0.000002 3 1.248105 0.140530 -0.000003 N = 4 1 -1.461525 1.891282 0.000000 2 0.749237 1.169116 0.000000 3 -0.879522 -0.447157 0.000000 4 1.447757 -1.158049 0.000000 N = 5 1 0.000000 0.000000 -1.162058 2 -1.149475 0.000000 0.855618 3 1.149475 0.000000 0.855618 4 0.000000 2.125431 0.005890 5 0.000000 -2.125431 0.005890 N = 6 1 -2.273815 0.994808 0.000851 2 -0.136199 0.862753 -1.144678 3 1.996468 0.866721 0.001662 4 -1.165440 -1.152330 -0.429720 5 1.150090 -1.298941 -0.005241 6 -0.146012 0.298541 1.151779 N = 7 1 1.967882 0.132811 -0.439828 2 1.392940 0.000014 1.829966 3 -1.117712 0.000421 1.967971 4 -1.975352 -0.139535 -0.283813 5 -0.132662 -0.141578 -1.829049 6 -0.006391 1.256036 0.149830 7 0.009787 -1.387727 0.281423 N= 8 1 -1.243523 0.000000 1.108875 2 -1.229847 0.000000 -1.243730 3 1.110155 0.000000 1.373744 4 1.225757 0.000000 -1.375615 5 0.137503 1.786044 -0.003245 6 0.137503 -1.786044 -0.003245 7 2.609656 1.372890 0.003180 8 2.609656 -1.372890 0.003180 N = 9 1 0.989558 0.000000 -1.843538 2 1.841051 0.000000 0.569939 3 -0.136775 0.000000 1.993473 4 -1.691858 0.000000 -1.704826 5 -2.137164 0.000000 0.707934 6 -0.276832 1.283155 -0.141074 7 -0.276832 -1.283155 -0.141074 8 1.978200 1.988409 -0.712300 9 1.978200 -1.988409 -0.712300 N = 10 1 0.000000 1.164090 1.754055 2 -1.754056 1.164090 0.000000 3 1.754056 1.164090 0.000000 4 0.000000 1.164090 -1.754056 5 1.179938 -1.020028 1.179938 6 -1.179938 -1.020028 1.179938 7 1.179938 -1.020029 -1.179938 8 -1.179938 -1.020029 -1.179938 9 0.000000 2.928700 0.000000 1O 0.000000 -2.921251 0.000000 N = 11 1 1.272229 0.004539 1.433581 2 -1.272231 0.004538 1.433582 3 -3.292126 -0.316146 0.000000 4 1.272230 0.004540 -1.433581 5 -1.272232 0.004538 -1.433581 6 3.292122 -0.316176 0.000000 7 -2.295122 1.733601 0.000000 8 -0.000001 1.574480 0.000000 9 2.295115 1.733601 0.000000 10 1.153641 -1.862848 0.000000 11 -1.153642 -1.862847 0.000000 N = 12 1 -1.513705 2.712545 0.466702 2 -0.452788 1.808616 -1.354438 3 1.655200 1.960727 -0.003901 4 0.306806 2.254173 1.960214 5 1.658690 -1.960724 -0.001975 6 -0.743893 -1.487967 -0.000362 7 1.205941 -0.007838 1.352404 8 -2.415595 0.599965 -0.171140 9 -1.205423 -0.311211 -2.108707 10 1.059557 -0.018504 -1.347254 11 3.162985 -0.002363 -0.006569 12 -1.063624 0.307368 1.663566 N = 13 1 -1.269244 -2.107611 0.000000 2 1.269244 -2.107611 0.000000 3 0.000000 -1.266762 -1.978491 4 0.000000 -1.266762 1.978491 5 -2.242432 0.000000 1.261970 6 -2.242432 0.000000 -1.261970 7 2.242432 0.000000 1.261969 8 2.242432 0.000000 -1.261970 9 -1.269244 2.107611 0.000000 10 1.269244 2.107612 0.000000 11 0.000000 1.266762 -1.978491 12 0.000000 1.266762 1.978491 13 0.000000 0.000000 0.000000