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SYMMETRY CHARGE=-1 PULAY PM7 Cs2I3 anion H=-181.5 HR=NIST Cs 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 I 3.87539263 +1 0.0000000 +0 0.0000000 +0 1 0 0 Cs 3.87539263 +0 180.0000000 +0 0.0000000 +0 2 1 0 I 3.60133238 +1 180.0000000 +0 0.0000000 +0 3 2 1 I 3.60133238 +0 180.0000000 +0 0.0000000 +0 1 2 3