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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 |
---|---|
C4H6 | Cyclobutene |
description | Value | Reference | Comment | Atom number | |||
---|---|---|---|---|---|---|---|
rCC | 1.342 | 1979Har/Lau:619 | 1 | 2 | |||
rCC | 1.517 | 1979Har/Lau:619 | =C to C | 1 | 3 | ||
rCC | 1.566 | 1979Har/Lau:619 | 3 | 4 | |||
rCH | 1.083 | 1979Har/Lau:619 | single H | 1 | 5 | ||
rCH | 1.094 | 1979Har/Lau:619 | double H | 3 | 7 | ||
aCCC | 94.2 | 1979Har/Lau:619 | 1 | 2 | 4 | ||
aCCC | 85.8 | 1979Har/Lau:619 | 1 | 3 | 4 | ||
aHCC | 133.5 | 1979Har/Lau:619 | 1 | 2 | 6 | ||
aHCH | 109.2 | 1979Har/Lau:619 | 7 | 3 | 9 | ||
aHCC | 114.5 | 1979Har/Lau:619 | 2 | 4 | 8 |
squib | reference |
---|---|
1979Har/Lau:619 | Harmony, Laurie, Kuczkowski, et.al., Molecular structures of gas-phase polyatomic molecules determined by spectroscopic methods, J. of Phys. And Chem. Ref. Data, Vol. 8, #3, pgs. 619-722 |