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PM7 Titanium(IV) oxide difluoride I=8.13 IR=PW91D D=3.28 DR=PW91D Ti 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 F 1.71881034 +1 0.0000000 +0 0.0000000 +0 1 0 0 F 1.71899976 +1 137.1094736 +1 0.0000000 +0 1 2 0 O 1.63773424 +1 111.5793039 +1 178.6894321 +1 1 2 3