PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
as(oh)3r
3990 As(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
As(OH)3
<As-O> GR=PW91D
As 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
O 1.82672800 +1 0.0000000 +0 0.0000000 +0 1 0 0
O 1.77459299 +1 100.8123950 +1 0.0000000 +0 1 2 0
O 1.77541633 +1 100.5159285 +1 -104.5132839 +1 1 2 3
H 0.94355076 +1 125.1053964 +1 55.4165692 +1 2 1 3
H 0.94163579 +1 129.7422750 +1 -54.4281843 +1 3 1 2
H 0.94115435 +1 129.7722814 +1 54.3819271 +1 4 1 2