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SHIFT=80 PULAY PM7 Trimethyl hafnium hydroxide <Hf-C> <> <C-Hf-C> <><><> <Hf-O> GR=PW91D Hf 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 C 2.18516000 +1 0.0000000 +0 0.0000000 +0 1 0 0 C 2.15427021 +1 108.4996660 +1 0.0000000 +0 1 2 0 C 2.15501914 +1 108.5927262 +1 119.2014259 +1 1 2 3 O 1.87738700 +1 108.2152564 +1 117.5184612 +1 1 2 4 H 1.09335599 +1 109.7994885 +1 0.1203188 +1 2 1 3 H 1.09542179 +1 109.0505000 +1 120.6103365 +1 2 1 6 H 1.09581077 +1 108.7062055 +1 119.1688979 +1 2 1 7 H 1.09811673 +1 109.3821981 +1 119.2728327 +1 3 1 2 H 1.09587920 +1 110.2576184 +1 120.1661874 +1 3 1 9 H 1.09806256 +1 109.4501500 +1 120.1460285 +1 3 1 10 H 1.09813023 +1 109.3649966 +1 -0.0396699 +1 4 1 2 H 1.09862581 +1 109.3074146 +1 119.3660866 +1 4 1 12 H 1.09665598 +1 109.9206751 +1 122.1792376 +1 4 1 5 H 0.95546141 +1 131.8707360 +1 105.9074470 +1 5 1 2