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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 |
---|---|
CH3CCl2CH3 | Propane, 2,2-dichloro- |
description | Value | Reference | Comment | Atom number | |||
---|---|---|---|---|---|---|---|
rCCl | 1.799 | 1987Kuchitsu(II/15) | 1 | 2 | |||
rCC | 1.523 | 1987Kuchitsu(II/15) | 1 | 4 | |||
rCH | 1.101 | 1987Kuchitsu(II/15) | 4 | 6 | |||
aClCCl | 108.3 | 1987Kuchitsu(II/15) | 2 | 1 | 3 | ||
aCCC | 113.0 | 1987Kuchitsu(II/15) | 4 | 1 | 5 | ||
aHCH | 107.2 | 1987Kuchitsu(II/15) | 6 | 4 | 8 | ||
aCCCl | 108.9 | 1987Kuchitsu(II/15) | 2 | 1 | 4 | ||
aHCC | 111.7 | 1987Kuchitsu(II/15) | from symmetry | 1 | 4 | 6 |
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. |