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Compare Experimental Geometries - experimental data

Species Name
CH3CF3 Ethane, 1,1,1-trifluoro-
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 1.494 1979Bea/Jon:215   1 2   
rCF 1.340 1979Bea/Jon:215   2 6   
rCH 1.081 1979Bea/Jon:215   1 3   
aCCF 111.9 1979Bea/Jon:215   1 2 6  
aHCC 112.0 1979Bea/Jon:215   2 1 3  
aFCF 106.9 1979Bea/Jon:215 from symmetry 6 2 7  
aHCH 106.8 1979Bea/Jon:215 from symmetry 3 1 4  

picture of
1979Bea/Jon:215 Beagly, B., Jones, M., Zanjanchi, M., On the Molecular Structure of 1,1,1-trifluoroethane. A Modern Gas-Phase Electron Diffraction Study, J. of Mol. Struct., Vol. 56, pgs. 215-219