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 |
---|---|
CH2ClCCCl | 1,3-dichloropropyne |
description | Value | Reference | Comment | Atom number | |||
---|---|---|---|---|---|---|---|
rCC | 1.201 | 1987Kuchitsu(II/15) | 1 | 2 | |||
rCC | 1.456 | 1987Kuchitsu(II/15) | 2 | 3 | |||
rHC | 1.093 | 1987Kuchitsu(II/15) | 3 | 6 | |||
rCCl | 1.638 | 1987Kuchitsu(II/15) | 1 | 4 | |||
rCCl | 1.779 | 1987Kuchitsu(II/15) | 3 | 5 | |||
aHCH | 99.0 | 1987Kuchitsu(II/15) | 6 | 3 | 7 | ||
aHCC | 108.8 | 1987Kuchitsu(II/15) | 2 | 3 | 6 | ||
aCCCl | 112.1 | 1987Kuchitsu(II/15) | 2 | 3 | 5 | ||
aCCC | 182.7 | 1987Kuchitsu(II/15) | 1 | 2 | 3 | ||
aCCCl | 176.6 | 1987Kuchitsu(II/15) | 2 | 1 | 4 |
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. |