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CHARGE=-2 SYMMETRY SHIFT=80 PM7 Titanium(IV) hexafluoride <Ti-F> GR=B88_LYP F 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 Ti 1.92200000 +1 0.0000000 +0 0.0000000 +0 1 0 0 F 1.92200000 +1 90.0000000 +1 0.0000000 +0 2 1 0 F 1.92200000 +1 90.0000000 +1 180.0000000 +1 2 3 1 F 1.92200000 +1 90.0000000 +1 180.0000000 +1 2 4 3 F 1.92200000 +1 90.0000000 +1 90.0000000 +1 2 3 4 F 1.92200000 +1 90.0000000 +1 -90.0000000 +1 2 3 4