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Compare Experimental Geometries - experimental data

Species Name
CH2ClCHCHCH3 2-Butene, 1-chloro-
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
rCC 1.342 1992Kuchitsu(II/21)   2 3   
rCC 1.496 1992Kuchitsu(II/21) average 1 2   
rCCl 1.807 1992Kuchitsu(II/21)   1 5   
rCH 1.111 1992Kuchitsu(II/21) average 1 6   
aCCC 125.3 1992Kuchitsu(II/21) average 1 2 3  
aCCCl 110.3 1992Kuchitsu(II/21)   2 1 5  
aHCC 120.0 1992Kuchitsu(II/21)   2 3 9  
aHCC 122.7 1992Kuchitsu(II/21) average 1 2 8  

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.