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UHF CHARGE=-3 SYMMETRY PM7 Iridium(III) hexabromide H=-6.7 HR=PW91D Ir 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 Br 2.68704539 +1 0.0000000 +0 0.0000000 +0 1 0 0 Br 2.68704539 +1 89.9919730 +1 0.0000000 +0 1 2 0 Br 2.68704539 +1 90.0141900 +1 179.9367490 +1 1 2 3 Br 2.68704539 +1 89.9995770 +1 179.9889380 +1 1 4 2 Br 2.68704539 +1 90.0026440 +1 90.0986050 +1 1 2 3 Br 2.68704539 +1 90.0044720 +1 -179.9646850 +1 1 2 6