PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
as(oh)3
3989 As(OH)3
(Previous)
(Back)
(Next)
ΔHf: -130.6 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
As(OH)3
H=-130.6 HR=PW91D
As 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
O 1.77617438 +1 0.0000000 +0 0.0000000 +0 1 0 0
O 1.77679828 +1 101.9702573 +1 0.0000000 +0 1 2 0
O 1.77791923 +1 101.4175029 +1 -103.9400187 +1 1 2 3
H 0.94225252 +1 129.2999658 +1 56.4539298 +1 2 1 3
H 0.94152152 +1 129.4698584 +1 -57.0098351 +1 3 1 2
H 0.94069710 +1 129.5792564 +1 56.0060830 +1 4 1 2