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SYMMETRY PM7 Scandium trifluoride H=-304.42 HR=PW91D F 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 Sc 2.01463257 +1 0.0000000 +0 0.0000000 +0 1 0 0 F 2.01463257 +1 120.0000000 +1 0.0000000 +0 2 1 0 F 2.01463257 +1 120.0000000 +1 180.0000000 +1 2 1 3 2 1 3 4