PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
in(oh)3r
5423 Indium tri-hydroxide (Geo)
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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
<In-O> GR=PW91D
In 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
O 2.03542100 +1 0.0000000 +0 0.0000000 +0 1 0 0
O 2.00049231 +1 120.0107627 +1 0.0000000 +0 1 2 0
O 2.00045306 +1 120.0067503 +1 -179.9999428 +1 1 2 3
H 0.93898470 +1 121.1345457 +1 0.0000935 +1 2 1 3
H 0.93925720 +1 121.0851328 +1 179.9999917 +1 3 1 2
H 0.93921745 +1 121.1120910 +1 0.0001073 +1 4 1 2