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 |
---|---|
CH2CCHCH3 | 1,2-Butadiene |
description | Value | Reference | Comment | Atom number | |||
---|---|---|---|---|---|---|---|
rCC | 1.314 | 1992Kuchitsu(II/21) | from end | 1 | 2 | ||
rCC | 1.301 | 1992Kuchitsu(II/21) | 2 | 3 | |||
rCC | 1.515 | 1992Kuchitsu(II/21) | 3 | 4 | |||
aCCC | 179.5 | 1992Kuchitsu(II/21) | 1 | 3 | 2 | ||
aCCC | 124.0 | 1992Kuchitsu(II/21) | 2 | 3 | 4 |
squib | reference |
---|---|
1992Kuchitsu(II/21) | Kuchitsu (ed.), Landolt-Bornstein: Group II: Atomic and Molecular Physics Volume 21: Structure Data of Free Polyatomic Molecules. Springer-Verlag, Berlin, 1992. |