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Compare Experimental Geometries - experimental data

Species Name
CHClCCl2 Trichloroethylene
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 1.337 1996KIS/PSZ:125   1 2   
rCCl 1.720 1996KIS/PSZ:125 Cl cis to H 2 5   
rCH 1.080 1996KIS/PSZ:125   1 3   
aCCCl 120.1 1996KIS/PSZ:125   1 2 5  
aCCCl 124.4 1996KIS/PSZ:125   1 2 6  
aHCC 120.6 1996KIS/PSZ:125   2 1 3  
rCCl 1.712 1996KIS/PSZ:125 Cl trans to H 2 6   
rCCl 1.714 1996KIS/PSZ:125   1 4   
aCCCl 122.5 1996KIS/PSZ:125   2 1 4  

picture of
1996KIS/PSZ:125 Z Kisiel, L. Pszczolkowski, "Assignment and Analysis of the mm-wave Rotational Spectrum of Trichloroethylene: Observation of a New, Extended R-band and an Overview of High -J,R-Type Bands" J. Mol. Spect. 178, 125-137 (1996)