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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 |
---|---|
CH3CHClCH2CH3 | Butane, 2-chloro- |
description | Value | Reference | Comment | Atom number | |||
---|---|---|---|---|---|---|---|
rCH | 1.110 | 1976Hellwege(II/7) | average | 1 | 2 | ||
rCC | 1.534 | 1976Hellwege(II/7) | average | 1 | 5 | ||
rCCl | 1.781 | 1976Hellwege(II/7) | 5 | 7 | |||
aCCC | 111.4 | 1976Hellwege(II/7) | average | 1 | 5 | 8 | |
aCCCl | 112.4 | 1976Hellwege(II/7) | average | 1 | 5 | 7 | |
aHCC | 110.6 | 1976Hellwege(II/7) | average | 2 | 1 | 5 |
squib | reference |
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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. |