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Compare Experimental Geometries - experimental data

Species Name
CH3COCl Acetyl Chloride
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 1.187 1998Kuc rg 1 3   
rCCl 1.798 1998Kuc rg 1 4   
rCC 1.506 1998Kuc rg 1 2   
rCH 1.105 1998Kuc rg 2 5   
aOCCl 121.2 1998Kuc   3 1 4  
aCCCl 111.6 1998Kuc   2 1 4  
aHCH 108.6 1998Kuc   5 2 6  

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