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Compare Experimental Geometries - experimental data

Species Name
C6H4Cl2 1,4-dichlorobenzene
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 1.388 1987Kuchitsu(II/15)   1 3   
rCC 1.394 1987Kuchitsu(II/15)   3 6   
rCCl 1.729 1987Kuchitsu(II/15)   1 7   
rHC 1.081 1987Kuchitsu(II/15)   3 9   
aCCC 121.6 1987Kuchitsu(II/15)   3 1 4  
aHCC 120.0 1987Kuchitsu(II/15) assumed 3 6 12  

picture of
1987Kuchitsu(II/15) Kuchitsu (ed.), Landolt-Bornstein: Group II: Atomic and Molecular Physics Volume 15: Structure Data of Free Polyatomic Molecules. Springer-Verlag, Berlin, 1987.