PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
ga(oh)3r
3797 Ga(OH)3 (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
Ga(OH)3
<Ga-O> GR=PW91D
Ga 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
O 1.80841300 +1 0.0000000 +0 0.0000000 +0 1 0 0
O 1.81095468 +1 120.6948283 +1 0.0000000 +0 1 2 0
O 1.81038605 +1 122.6901266 +1 -179.9740660 +1 1 2 3
H 0.95635265 +1 113.4219387 +1 -1.1596718 +1 2 1 3
H 0.94898572 +1 116.5397380 +1 -0.9872976 +1 3 1 2
H 0.96690304 +1 110.1786811 +1 179.9250533 +1 4 1 2