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PULAY PM7 Tantalum(V) oxide trifluoride <Ta-O> <Ta-F> <F-Ta-O> GR=PW91D O 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 Ta 1.64005700 +1 0.0000000 +0 0.0000000 +0 1 0 0 F 1.87028100 +1 111.9830920 +1 0.0000000 +0 2 1 0 F 1.81479157 +1 98.0370881 +1 121.0761937 +1 2 1 3 F 1.81470769 +1 98.0574499 +1 118.2356619 +1 2 1 4