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CHARGE=-1 PULAY SHIFT=80 UHF PM7 Copper(II) trifluoride, anion H=-207 HR=NIST I=1.23 IR=PW91D Cu 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 F 1.75783402 +1 0.0000000 +0 0.0000000 +0 1 0 0 F 1.75625355 +1 120.5748728 +1 0.0000000 +0 1 2 0 F 1.75573004 +1 120.1122791 +1 -178.3978537 +1 1 2 3