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Compare Experimental Geometries - experimental data

Species Name
C3H4O Cyclopropanone
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
rCO 1.191 1976Hellwege(II/7)   1 2   
rCC 1.475 1976Hellwege(II/7)   1 3   
rCC 1.575 1976Hellwege(II/7) opposite =C 3 4   
rCH 1.086 1976Hellwege(II/7)   3 5   
aCCC 57.7 1976Hellwege(II/7)   1 3 4  
aHCH 114.1 1976Hellwege(II/7)   5 3 6  
aCCC 64.6 1976Hellwege(II/7) middle C has =O 3 1 4  
aCCO 147.7 1976Hellwege(II/7) by symmetry 2 1 3  

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.