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PULAY SHIFT=80 PM7 Chromium(VI) dibromide dioxide I=7.85 IR=PW91D D=1.39 DR=PW91D Cr 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 Br 2.26668558 +1 0.0000000 +0 0.0000000 +0 1 0 0 O 1.57982791 +1 104.6490667 +1 0.0000000 +0 1 2 0 O 1.57967183 +1 104.7457967 +1 139.9750126 +1 1 2 3 Br 2.26627286 +1 104.3556047 +1 110.1153115 +1 1 2 4