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CHARGE=-3 SYMMETRY PM7 Scandium(III) hexaiodide <Sc-I> GR=B88_LYP I 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 Sc 2.93100000 +1 0.0000000 +0 0.0000000 +0 1 0 0 I 2.93100000 +0 90.0000000 +0 0.0000000 +0 2 1 0 I 2.93100000 +1 90.0000000 +0 180.0000000 +0 2 3 1 I 2.93100000 +0 90.0000000 +0 180.0000000 +0 2 4 3 I 2.93100000 +1 90.0000000 +1 90.0000000 +0 2 3 4 I 2.93100000 +0 90.0000000 +0 -90.0000000 +0 2 3 4