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Compare Experimental Geometries - experimental data

Species Name
C4H10O Ethanol, 1,1-dimethyl-
The following table lists the experimentally determined internal coordinates. Coordinate descriptions starting with "r" are bond lengths, starting with "a" are bond angles, and starting with "d" are dihedral angles. Atom numbers are the numbers on the picture of the molecule below to indicate which atoms are invloved in the bond or angle.
Units: bond lengths are in Å, angles are in degrees.
description Value Reference Comment Atom number
rCO 1.446 1992Kuchitsu(II/21)   1 15   
rCC 1.529 1992Kuchitsu(II/21)   1 5   
rCH 1.117 1992Kuchitsu(II/21)   2 5   
aHOC 108.0 1992Kuchitsu(II/21)   1 15 14  
aCCC 110.9 1992Kuchitsu(II/21)   5 1 9  
aHCH 108.5 1992Kuchitsu(II/21)   2 5 3  

picture of
1992Kuchitsu(II/21) Kuchitsu (ed.), Landolt-Bornstein: Group II: Atomic and Molecular Physics Volume 21: Structure Data of Free Polyatomic Molecules. Springer-Verlag, Berlin, 1992.