PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
ga(oh)3
3796 Ga(OH)3
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ΔHf: -157.0 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
Ga(OH)3
H=-157.0 HR=PW91D
Ga 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
O 1.81227024 +1 0.0000000 +0 0.0000000 +0 1 0 0
O 1.81125967 +1 120.8952257 +1 0.0000000 +0 1 2 0
O 1.81075895 +1 122.5402161 +1 -179.9809981 +1 1 2 3
H 0.95698754 +1 113.2215482 +1 -0.9408009 +1 2 1 3
H 0.94954285 +1 116.3317760 +1 -0.7983936 +1 3 1 2
H 0.96770537 +1 109.8701581 +1 179.9269519 +1 4 1 2