PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
in(oh)3
5422 Indium tri-hydroxide
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ΔHf: -123.7 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
Indium tri-hydroxide
H=-123.7 HR=PW91D
In 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
O 2.00225211 +1 0.0000000 +0 0.0000000 +0 1 0 0
O 2.00222532 +1 119.9729391 +1 0.0000000 +0 1 2 0
O 2.00210272 +1 120.0506045 +1 -179.9997822 +1 1 2 3
H 0.93915937 +1 121.0105318 +1 -0.0001229 +1 2 1 3
H 0.93911024 +1 121.0171763 +1 179.9998630 +1 3 1 2
H 0.93907049 +1 121.0544409 +1 0.0001025 +1 4 1 2