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SYMMETRY CHARGE=-3 PM7 Lanthanum(III) hexabromide I=-3.953 IR=PW91D H=-219.1 HR=PW91D Br 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 La 2.46709236 +1 0.0000000 +0 0.0000000 +0 1 0 0 Br 2.46709236 +1 90.0001410 +1 0.0000000 +0 2 1 0 Br 2.46709236 +1 89.9999060 +1 179.9999530 +1 2 3 1 Br 2.46709236 +1 90.0000450 +1 -179.9999760 +1 2 1 3 Br 2.46709236 +1 90.0000680 +1 -90.0000240 +1 2 1 5 Br 2.46709236 +1 90.0001180 +1 180.0000000 +1 2 1 6