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UHF RELSCF=10 PM7 Osmium(III) triiodide H=83.5 HR=PW91D Os 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 I 2.68029502 +1 0.0000000 +0 0.0000000 +0 1 0 0 I 2.67997284 +1 100.7339901 +1 0.0000000 +0 1 2 0 I 2.67898599 +1 100.9237147 +1 103.3531216 +1 1 2 3