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 |
---|---|
C5H6 | 1,3-Cyclopentadiene |
description | Value | Reference | Comment | Atom number | |||
---|---|---|---|---|---|---|---|
rCC | 1.460 | 1966Herzberg | 10 | 11 | |||
rCC | 1.540 | 1966Herzberg | 7 | 9 | |||
rCC | 1.340 | 1966Herzberg | 7 | 10 | |||
aCCC | 101.0 | 1966Herzberg | 7 | 9 | 8 |
squib | reference |
---|---|
1966Herzberg | Herzberg, G., Electronic spectra and electronic structure of polyatomic molecules,Van Nostrand,New York, 1966 |