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Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology |
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Species | Name |
---|---|
C2H3Cl | Ethene, chloro- |
description | Value | Reference | Comment | Atom number | |||
---|---|---|---|---|---|---|---|
rCC | 1.332 | 1966Herzberg | 1 | 2 | |||
rCCl | 1.726 | 1966Herzberg | 1 | 3 | |||
rCH | 1.090 | 1966Herzberg | on CHCl end | 1 | 4 | ||
rCH | 1.079 | 1966Herzberg | on CH2 end | 2 | 5 | ||
aCCCl | 122.3 | 1966Herzberg | 2 | 1 | 3 | ||
aHCC | 123.8 | 1966Herzberg | H on CHCl end | 2 | 1 | 4 | |
aHCC | 119.5 | 1966Herzberg | H trans to Cl | 1 | 2 | 6 | |
aHCC | 121.0 | 1966Herzberg | H cis to Cl | 1 | 2 | 5 |
squib | reference |
---|---|
1966Herzberg | Herzberg, G., Electronic spectra and electronic structure of polyatomic molecules,Van Nostrand,New York, 1966 |