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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, (E)- |
description | Value | Reference | Comment | Atom number | |||
---|---|---|---|---|---|---|---|
rCC | 1.484 | 1987Kuchitsu(II/15) | next to = | 4 | 11 | ||
rCC | 1.334 | 1987Kuchitsu(II/15) | 2 | 4 | |||
rCC | 1.576 | 1987Kuchitsu(II/15) | end C | 11 | 15 | ||
rCH | 1.082 | 1987Kuchitsu(II/15) | 1 | 2 | |||
aCCC | 125.4 | 1987Kuchitsu(II/15) | 4 | 2 | 8 | ||
aCCC | 115.6 | 1987Kuchitsu(II/15) | 4 | 11 | 15 | ||
aHCC | 112.7 | 1987Kuchitsu(II/15) | 2 | 1 | 5 | ||
aHCC | 129.0 | 1987Kuchitsu(II/15) | 1 | 2 | 4 | ||
dCCCH | 60.0 | 1987Kuchitsu(II/15) | to end H | 4 | 11 | 15 | 14 |
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. |