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uhf
Copper(ii) dichloride, ethanediol
<Cu-Cl> <Cu-O> gr=ccdc
Cu 0.000000 0 0.000000 0 0.000000 0 0 0 0 0.000000
Cl 2.234986 1 0.000000 0 0.000000 0 1 0 0 0.000000
O 1.996573 1 93.126422 1 0.000000 0 1 2 0 0.000000
C 2.367144 1 81.062617 1 168.761949 1 3 1 2 0.000000
C 1.445619 1 115.436584 1 10.684662 1 3 1 4 0.000000
H 1.740726 1 102.763099 1 13.499213 1 4 3 1 0.000000
H 0.812946 1 123.853735 1 125.650182 1 3 1 5 0.000000
H 1.112804 1 104.067334 1 -95.577004 1 4 3 6 0.000000
H 0.932156 1 150.622807 1 -144.322093 1 4 3 8 0.000000
H 1.073725 1 109.427834 1 108.957848 1 5 3 1 0.000000
H 0.930158 1 109.835658 1 95.364376 1 5 3 10 0.000000
O 0.728570 1 51.139043 1 10.178618 1 6 4 3 0.000000
Cl 2.233111 1 95.973479 1 174.600394 1 1 2 3 0.000000
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