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 |
---|---|
C3H8 | Propane |
description | Value | Reference | Comment | Atom number | |||
---|---|---|---|---|---|---|---|
rCC | 1.526 | 1976Hellwege(II/7) | 1 | 2 | |||
rCH | 1.096 | 1976Hellwege(II/7) | center C | 1 | 4 | ||
rCH | 1.089 | 1976Hellwege(II/7) | 2 | 6 | |||
rCH | 1.094 | 1976Hellwege(II/7) | 2 | 8 | |||
aCCC | 112.4 | 1976Hellwege(II/7) | 2 | 1 | 3 | ||
aHCH | 106.1 | 1976Hellwege(II/7) | center C | 4 | 1 | 5 | |
aHCH | 107.3 | 1976Hellwege(II/7) | 6 | 2 | 8 | ||
aHCH | 108.1 | 1976Hellwege(II/7) | 8 | 2 | 9 | ||
aHCC | 111.8 | 1976Hellwege(II/7) | to the end | 1 | 2 | 6 | |
aHCC | 110.6 | 1976Hellwege(II/7) | to the end | 1 | 2 | 8 | |
aHCC | 109.5 | 1976Hellwege(II/7) | by symmetry | 2 | 1 | 4 |
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. |