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Compare Experimental Geometries - experimental data

Species Name
C5H12 Pentane
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 1.118 1976Hellwege(II/7)   1 6   
rCC 1.531 1976Hellwege(II/7)   1 2   
aCCC 112.9 1976Hellwege(II/7)   1 2 4  
aHCC 110.4 1976Hellwege(II/7)   2 4 12  
d 61.0 1976Hellwege(II/7) dihedral 3 1 2 4

picture of
1976Hellwege(II/7) Hellwege, KH and AM Hellwege (ed.). Landolt-Bornstein: Group II: Atomic and Molecular Physics Volume 7: Structure Data of Free Polyatomic Molecules. Springer-Verlag. Berlin. 1976.