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PM7 Rhenium(III) triiodide I=5.579 IR=PW91D D=0.415 DR=PW91D H=156.6 HR=PW91D Re 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 I 2.46678425 +1 0.0000000 +0 0.0000000 +0 1 0 0 I 2.53441256 +1 128.0611537 +1 0.0000000 +0 1 2 0 I 2.52845426 +1 129.0964848 +1 178.8788531 +1 1 2 3