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Compare Experimental Geometries - experimental data

Species Name
CH2FCH2CH3 1-Fluoropropane
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 1.534 1992Kuchitsu(II/21)   2 3   
rCC 1.501 1992Kuchitsu(II/21)   1 2   
rCF 1.401 1992Kuchitsu(II/21)   1 4   
rCH 1.095    1 5   
rCH 1.094 1992Kuchitsu(II/21)   2 7   
rCH 1.084 1992Kuchitsu(II/21)   3 9   
rCH 1.093 1992Kuchitsu(II/21)   3 10   
aCCC 110.6 1992Kuchitsu(II/21)   1 2 3  
aCCF 110.0 1992Kuchitsu(II/21)   2 1 4  
aHCF 107.2 1992Kuchitsu(II/21)   4 1 5  
aHCC 111.6 1992Kuchitsu(II/21)   2 1 5  
aHCH 109.0 1992Kuchitsu(II/21)   5 1 6  
aHCC 109.0 1992Kuchitsu(II/21)   1 2 7  
aHCC 110.4    3 2 7  
aHCH 107.3 1992Kuchitsu(II/21)   7 2 8  
aHCC 111.4 1992Kuchitsu(II/21)   2 3 9  
aHCC 111.0 1992Kuchitsu(II/21)   2 3 10  
aHCH 107.7 1992Kuchitsu(II/21)   9 3 10  
aHCH 108.5 1992Kuchitsu(II/21)   10 3 11  

picture of
References
squibreference
1992Kuchitsu(II/21) Kuchitsu (ed.), Landolt-Bornstein: Group II: Atomic and Molecular Physics Volume 21: Structure Data of Free Polyatomic Molecules. Springer-Verlag, Berlin, 1992.