Accuracy
methyl osmium(iii) dihydroxider
7541 Methyl osmium(III) dihydroxide (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.
PULAY PM7
Methyl osmium(III) dihydroxide
<Os-O> <><> <Os-C> GR=PW91D
Os 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
O 1.89999900 +1 0.0000000 +0 0.0000000 +0 1 0 0
O 1.85767576 +1 171.1658418 +1 0.0000000 +0 1 2 0
C 1.94000000 +1 97.8453202 +1 157.1653443 +1 1 2 3
H 0.91676751 +1 167.3935768 +1 10.9752435 +1 2 1 3
H 0.92558084 +1 159.3754787 +1 -7.6422105 +1 3 1 2
H 1.11346976 +1 113.7486605 +1 130.5406376 +1 4 1 2
H 1.11295714 +1 113.6977024 +1 120.5426642 +1 4 1 7
H 1.11428416 +1 112.7597809 +1 119.7695708 +1 4 1 8