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CHARGE=-1 SHIFT=80 UHF PM7 Copper(II) trichloride, anion H=-128.3 HR=PW91D I=2.05 IR=PW91D Cu 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 Cl 2.15160780 +1 0.0000000 +0 0.0000000 +0 1 0 0 Cl 2.14987549 +1 119.5809499 +1 0.0000000 +0 1 2 0 Cl 2.14859734 +1 120.3861084 +1 -179.2036189 +1 1 2 3