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Compare Experimental Geometries - experimental data

Species Name
CH3CHS Thioacetaldehyde
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
rCS 1.610 1987Kuchitsu(II/15)   1 3   
rCH 1.089 1987Kuchitsu(II/15) C has =S 1 4   
rCC 1.506 1987Kuchitsu(II/15)   1 2   
rCH 1.090 1987Kuchitsu(II/15) in plane H 2 5   
rCH 1.098 1987Kuchitsu(II/15) out of plane H 2 6   
aCCS 125.3 1987Kuchitsu(II/15)   2 1 3  
aHCC 119.4 1987Kuchitsu(II/15) to single H 2 1 4  
aHCC 111.2 1987Kuchitsu(II/15) to in plane H 1 2 5  
aHCC 110.1 1987Kuchitsu(II/15) to out of plane H 1 2 6  

picture of
1987Kuchitsu(II/15) Kuchitsu (ed.), Landolt-Bornstein: Group II: Atomic and Molecular Physics Volume 15: Structure Data of Free Polyatomic Molecules. Springer-Verlag, Berlin, 1987.