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Compare Experimental Geometries - experimental data

Species Name
CH2CHCH2CH2Cl 1-Butene, 4-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 1.339 1992Kuchitsu(II/21)   2 4   
rCC 1.508 1992Kuchitsu(II/21) next to = 2 6   
rCC 1.528 1992Kuchitsu(II/21) !assumed 6 9   
rCCl 1.794 1992Kuchitsu(II/21)   9 12   
rCH 1.102 1992Kuchitsu(II/21)   1 4   
aCCC 123.9 1992Kuchitsu(II/21)   4 2 6  
aCCC 112.0 1992Kuchitsu(II/21)   2 6 9  
aCCCl 111.5 1992Kuchitsu(II/21)   6 9 12  
aHCC 121.5 1992Kuchitsu(II/21) towards end 1 4 2  
aHCC 121.0 1992Kuchitsu(II/21) towards end 2 4 3  
aHCC 119.0 1992Kuchitsu(II/21) from end 4 2 10  
aHCC 109.3 1992Kuchitsu(II/21)   6 9 7  
aHCC 110.2 1992Kuchitsu(II/21)   5 6 9  
aHCC 111.5 1992Kuchitsu(II/21)   6 2 10  
aHCCl 106.5 1992Kuchitsu(II/21)   7 9 12  
dCCCC 123.1 1992Kuchitsu(II/21)   4 2 6 9
dCCCCl 180.0 1992Kuchitsu(II/21) !assumed 2 6 9 12

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.