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Compare Experimental Geometries - experimental data

Species Name
C2H2O2+ Ethanedial cation
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 1.526 1998Kuc rg values 1 2   
rCO 1.212 1998Kuc   1 5   
rCH 1.132   rg value 1 3   
aCCO 121.2 1998Kuc   1 2 6  
aHCC 112.2 1998Kuc   1 2 4  

picture of
1998Kuc K Kuchitsu(ed) "Structure of Free Polyatomic Molecules - Basic Data" Springer, Berlin, 1998