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 |
---|---|
C5H4O2 | 4-Cyclopentene-1,3-dione |
description | Value | Reference | Comment | Atom number | |||
---|---|---|---|---|---|---|---|
rCH | 1.093 | 1987Kuchitsu(II/15) | 1 | 9 | |||
rCO | 1.208 | 1987Kuchitsu(II/15) | 3 | 7 | |||
rCC | 1.341 | 1987Kuchitsu(II/15) | 4 | 5 | |||
rCC | 1.509 | 1987Kuchitsu(II/15) | 3 | 5 | |||
aHCC | 118.7 | 1987Kuchitsu(II/15) | 5 | 4 | 10 | ||
aCCC | 110.4 | 1987Kuchitsu(II/15) | 3 | 5 | 4 | ||
aCCO | 124.9 | 1987Kuchitsu(II/15) | 1 | 3 | 7 | ||
aHCH | 113.2 | 1987Kuchitsu(II/15) | 8 | 1 | 9 |
squib | reference |
---|---|
1987Kuchitsu(II/15) | Kuchitsu (ed.), Landolt-Bornstein: Group II: Atomic and Molecular Physics Volume 15: Structure Data of Free Polyatomic Molecules. Springer-Verlag, Berlin, 1987. |