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Compare Experimental Geometries - experimental data

Species Name
CH2ClCHClCH3 Propane, 1,2-dichloro-
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 1.519 1992Kuchitsu(II/21)   1 5   
rCCl 1.793 1992Kuchitsu(II/21)   1 2   
rCH 1.113 1992Kuchitsu(II/21)   1 3   
aCCC 114.4 1992Kuchitsu(II/21)   1 5 8  
aCCCl 111.2 1992Kuchitsu(II/21)   2 1 5  
aCCCl 108.0 1992Kuchitsu(II/21)   1 5 7  
aCCCl 109.7 1992Kuchitsu(II/21)   7 5 8  
aHCC 109.8 1992Kuchitsu(II/21)   5 1 3  
aHCCl 109.0 1992Kuchitsu(II/21)   6 5 7  
aHCC 109.0 1992Kuchitsu(II/21)   5 8 9  
aHCC 110.0 1992Kuchitsu(II/21)   1 5 6  
dClCCCl 174.0 1992Kuchitsu(II/21)   2 1 5 7

picture of
References
squibreference
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.