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Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology |
You are here: Home > Geometry > Experimental > Same bond/angle many molecules OR Comparisons > Geometry > Bonds, angles > Same bond/angle many molecules |
Species | Name |
---|---|
CHClCCl2 | Trichloroethylene |
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 |
squib | reference |
---|---|
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) |