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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 |
---|---|
C5H10 | 2-Pentene, (Z)- |
description | Value | Reference | Comment | Atom number | |||
---|---|---|---|---|---|---|---|
rCC | 1.490 | 1987Kuchitsu(II/15) | end C to C= | 8 | 14 | ||
rCC | 1.338 | 1987Kuchitsu(II/15) | 12 | 14 | |||
rCC | 1.561 | 1987Kuchitsu(II/15) | end away from = | 1 | 5 | ||
rCH | 1.092 | 1987Kuchitsu(II/15) | methyl groups | 1 | 2 | ||
rCH | 1.058 | 1987Kuchitsu(II/15) | C has = | 12 | 13 | ||
aCCC | 127.4 | 1987Kuchitsu(II/15) | from end | 8 | 14 | 12 | |
aCCC | 112.4 | 1987Kuchitsu(II/15) | 1 | 5 | 12 | ||
aHCC | 124.0 | 1987Kuchitsu(II/15) | 12 | 14 | 15 | ||
aHCC | 114.2 | 1987Kuchitsu(II/15) | 2 | 1 | 5 |
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. |