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 |
---|---|
CH3CCl(CH3)CH3 | Propane, 2-chloro-2-methyl- |
description | Value | Reference | Comment | Atom number | |||
---|---|---|---|---|---|---|---|
rCCl | 1.803 | 1976Hellwege(II/7) | 1 | 2 | |||
rCC | 1.530 | 1976Hellwege(II/7) | 1 | 3 | |||
rCH | 1.078 | 1976Hellwege(II/7) | 3 | 6 | |||
aCCC | 110.9 | 1976Hellwege(II/7) | 3 | 1 | 4 | ||
aHCC | 110.8 | 1976Hellwege(II/7) | !assumed | 1 | 3 | 6 | |
aCCCl | 108.0 | 1976Hellwege(II/7) | by symmetry | 2 | 1 | 3 |
squib | reference |
---|---|
1976Hellwege(II/7) | Hellwege, KH and AM Hellwege (ed.). Landolt-Bornstein: Group II: Atomic and Molecular Physics Volume 7: Structure Data of Free Polyatomic Molecules. Springer-Verlag. Berlin. 1976. |