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Compare Experimental Geometries - experimental data

Species Name
CH2ClCHCl2 1,1,2-trichloroethane
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 1.580 1974Hui/Mul:23 !assumed 1 2   
rCCl 1.776 1974Hui/Mul:23   1 3   
aCCCl 106.4 1974Hui/Mul:23   1 2 6  
aCCCl 107.9 1974Hui/Mul:23   2 1 3  
aHCC 101.0 1974Hui/Mul:23   1 2 8  
dClCCCl 75.0 1974Hui/Mul:23   3 1 2 6

picture of
1974Hui/Mul:23 P Huisman, FC Mijlhoff "An Electron Diffraction Study of the Structure of 1,1,2-Trichloroethane in the gas phase" J. Molecular Structure, 21 (1974) 23-27