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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 |
---|---|
CH3CH(CH3)CH3 | Isobutane |
description | Value | Reference | Comment | Atom number | |||
---|---|---|---|---|---|---|---|
rCC | 1.525 | 1976Hellwege(II/7) | 1 | 3 | |||
rCH | 1.108 | 1976Hellwege(II/7) | 1 | 2 | |||
rCH | 1.100 | 1976Hellwege(II/7) | symmetric | 3 | 6 | ||
rCH | 1.092 | 1976Hellwege(II/7) | anti | 3 | 9 | ||
aCCC | 111.2 | 1976Hellwege(II/7) | 3 | 1 | 4 | ||
aHCC | 109.4 | 1976Hellwege(II/7) | 2 | 1 | 3 | ||
aHCH | 108.5 | 1976Hellwege(II/7) | anti-anti | 9 | 3 | 10 | |
aHCH | 107.9 | 1976Hellwege(II/7) | anti-sym | 6 | 3 | 9 |
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. |