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 |
---|---|
CH2ClCHClCH3 | Propane, 1,2-dichloro- |
description | Value | Reference | Comment | Atom number | |||
---|---|---|---|---|---|---|---|
rCC | 1.519 | 1992Kuchitsu(II/21) | 1 | 5 | |||
rCCl | 1.793 | 1992Kuchitsu(II/21) | 1 | 2 | |||
rCH | 1.113 | 1992Kuchitsu(II/21) | 1 | 3 | |||
aCCC | 114.4 | 1992Kuchitsu(II/21) | 1 | 5 | 8 | ||
aCCCl | 111.2 | 1992Kuchitsu(II/21) | 2 | 1 | 5 | ||
aCCCl | 108.0 | 1992Kuchitsu(II/21) | 1 | 5 | 7 | ||
aCCCl | 109.7 | 1992Kuchitsu(II/21) | 7 | 5 | 8 | ||
aHCC | 109.8 | 1992Kuchitsu(II/21) | 5 | 1 | 3 | ||
aHCCl | 109.0 | 1992Kuchitsu(II/21) | 6 | 5 | 7 | ||
aHCC | 109.0 | 1992Kuchitsu(II/21) | 5 | 8 | 9 | ||
aHCC | 110.0 | 1992Kuchitsu(II/21) | 1 | 5 | 6 | ||
dClCCCl | 174.0 | 1992Kuchitsu(II/21) | 2 | 1 | 5 | 7 |
squib | reference |
---|---|
1992Kuchitsu(II/21) | Kuchitsu (ed.), Landolt-Bornstein: Group II: Atomic and Molecular Physics Volume 21: Structure Data of Free Polyatomic Molecules. Springer-Verlag, Berlin, 1992. |