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PULAY SHIFT=80 PM7 Chromium(VI) diiodide dioxide I=7.08 IR=PW91D D=1.93 DR=PW91D Cr 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 I 2.48710933 +1 0.0000000 +0 0.0000000 +0 1 0 0 O 1.58317307 +1 102.5237834 +1 0.0000000 +0 1 2 0 O 1.58311750 +1 102.5238636 +1 149.0125255 +1 1 2 3 I 2.48665584 +1 100.6843598 +1 105.5635408 +1 1 2 4