return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
You are here: Home > Geometry > Experimental > Same bond/angle many molecules OR Comparisons > Geometry > Bonds, angles > Same bond/angle many molecules

Compare Experimental Geometries - experimental data

Species Name
CH2CHOCHCH2 Vinyl ether
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
rCH 1.103 1992Kuchitsu(II/21) average 2 6   
rCC 1.337 1992Kuchitsu(II/21) average 2 4   
rCO 1.389 1992Kuchitsu(II/21) average 1 2   
aCCO 119.0 1992Kuchitsu(II/21)   1 2 4  
aHCC 115.0 1992Kuchitsu(II/21) average 2 4 8  
dCOCC 167.0 1992Kuchitsu(II/21)   2 1 3 5

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.