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PULAY SHIFT=80 PM7 Molybdenum(VI) dibromide dioxide I=8.01 IR=PW91D D=1.43 DR=PW91D Mo 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 Br 2.40590774 +1 0.0000000 +0 0.0000000 +0 1 0 0 O 1.70515882 +1 105.0840117 +1 0.0000000 +0 1 2 0 O 1.70492716 +1 104.4659916 +1 109.9804666 +1 1 2 3 Br 2.40461499 +1 130.6672975 +1 124.3063819 +1 1 2 4