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Compare Experimental Geometries - experimental data

Species Name
CH3CHO+ acetaldehyde 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 1.501 1971HOL/GUN:2027   1 2   
rCO 1.216 1971HOL/GUN:2027   1 3   
rCH 1.086 1971HOL/GUN:2027 in CH3 group 2 5   
rCH 1.114 1971HOL/GUN:2027 in CHO group 1 4   
aCCO 123.9 1971HOL/GUN:2027   2 1 3  
aHCH 108.3 1971HOL/GUN:2027   5 2 6  
aHCC 117.5 1971HOL/GUN:2027   2 1 4  

picture of
1971HOL/GUN:2027 H. Hollenstien, Hs. H. Gunthard, "Solid State and gas infrared spectra and normal coordinate analysis of 5 isotopic species of acetaldehyde" Spec. Acta 27A, 2027 (1971)