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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 |
---|---|
C5H6 | Cyclopropylacetylene |
description | Value | Reference | Comment | Atom number | |||
---|---|---|---|---|---|---|---|
rCC | 1.527 | 1983Har/Nan:3947 | 1 | 4 | |||
rCC | 1.503 | 1983Har/Nan:3947 | 4 | 5 | |||
rCC | 1.422 | 1983Har/Nan:3947 | 1 | 2 | |||
rCC | 1.211 | 1983Har/Nan:3947 | 2 | 6 | |||
rCH | 1.055 | 1983Har/Nan:3947 | 6 | 7 | |||
rCH | 1.080 | 1983Har/Nan:3947 | 1 | 3 | |||
aHCH | 114.6 | 1983Har/Nan:3947 | 8 | 4 | 9 | ||
aHCC | 109.5 | 1983Har/Nan:3947 | 2 | 1 | 3 | ||
aCCC | 119.3 | 1983Har/Nan:3947 | 2 | 1 | 4 |
squib | reference |
---|---|
1983Har/Nan:3947 | Harmony, Nandi, Tietyz, Choe, Getty, Staley, Microwave Structures of Cyanocyclopropane and Cyclopropylacetylene. Effects of Cycloproply |