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CHARGE=-3 PULAY SHIFT=20 PM7 Iridium(III) hexaiodide <Ir-I> GR=PW91D Ir 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 I 2.83295100 +1 0.0000000 +0 0.0000000 +0 1 0 0 I 2.95527773 +1 90.2463763 +1 0.0000000 +0 1 2 0 I 2.95520437 +1 90.2232778 +1 179.9808870 +1 1 2 3 I 2.99267343 +1 89.7161537 +1 -179.9996926 +1 1 4 2 I 2.95519481 +1 90.2297254 +1 -89.9874264 +1 1 2 4 I 2.95524126 +1 90.2344321 +1 179.9731841 +1 1 2 6