PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
Si(OH)4
1905 Si(OH)4
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ΔHf: -288.8 kcal/mol, REF: Estimated from DGauss results of DFT calculations, using the B88-PW91 functional and the DZVP basis set, in CAChe 6.0, Fujitsu Ltd, 2003.
PM7
Si(OH)4
H=-288.8 HR=PW91D
Si 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
O 1.58711651 +1 0.0000000 +0 0.0000000 +0 1 0 0
O 1.58771352 +1 110.2777580 +1 0.0000000 +0 1 2 0
O 1.57993481 +1 112.5697970 +1 126.6334699 +1 1 2 3
O 1.57730264 +1 108.4340334 +1 114.9446587 +1 1 2 4
H 0.94546527 +1 132.8175668 +1 -63.6156000 +1 2 1 3
H 0.94535922 +1 132.7935311 +1 61.0209867 +1 3 1 2
H 0.94658230 +1 131.8960834 +1 -63.3872453 +1 4 1 2
H 0.96461999 +1 125.9944622 +1 60.4709044 +1 5 1 2