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SYMMETRY PM7 TiH4 <Ti-H> GR=PW91D H 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 Ti 1.72568100 +1 0.0000000 +0 0.0000000 +0 1 0 0 H 1.72568100 +1 109.4712210 +1 0.0000000 +0 2 1 0 H 1.72568100 +1 109.4712210 +1 -120.0000000 +1 2 1 3 H 1.72568100 +1 109.4712210 +1 120.0000000 +1 2 1 3 2 1 3 4 5