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 |
---|---|
CH2CHCHClCH3 | 1-Butene, 3-chloro- |
description | Value | Reference | Comment | Atom number | |||
---|---|---|---|---|---|---|---|
rCC | 1.337 | 1987Kuchitsu(II/15) | 2 | 4 | |||
rCC | 1.503 | 1987Kuchitsu(II/15) | 2 | 6 | |||
rCC | 1.522 | 1987Kuchitsu(II/15) | 6 | 10 | |||
rCCl | 1.813 | 1987Kuchitsu(II/15) | 6 | 12 | |||
aCCC | 122.9 | 1987Kuchitsu(II/15) | 4 | 2 | 6 | ||
aCCC | 112.6 | 1987Kuchitsu(II/15) | 2 | 6 | 10 | ||
aCCCl | 109.9 | 1987Kuchitsu(II/15) | 2 | 6 | 12 |
squib | reference |
---|---|
1987Kuchitsu(II/15) | Kuchitsu (ed.), Landolt-Bornstein: Group II: Atomic and Molecular Physics Volume 15: Structure Data of Free Polyatomic Molecules. Springer-Verlag, Berlin, 1987. |