Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
You are here: Home > Geometry > Experimental > Same bond/angle many molecules OR Comparisons > Geometry > Bonds, angles > Same bond/angle many molecules |
Species | Name |
---|---|
CH2CHOH | ethenol |
description | Value | Reference | Comment | Atom number | |||
---|---|---|---|---|---|---|---|
rCC | 1.326 | 1987Kuchitsu(II/15) | 1 | 2 | |||
rCO | 1.372 | 1987Kuchitsu(II/15) | 2 | 3 | |||
rCH | 1.097 | 1987Kuchitsu(II/15) | 2 | 6 | |||
rCH | 1.079 | 1987Kuchitsu(II/15) | 1 | 5 | |||
rCH | 1.086 | 1987Kuchitsu(II/15) | 1 | 4 | |||
rOH | 0.960 | 1987Kuchitsu(II/15) | 3 | 7 | |||
aCCO | 126.2 | 1987Kuchitsu(II/15) | 1 | 2 | 3 | ||
aHCC | 129.1 | 1987Kuchitsu(II/15) | 1 | 2 | 6 | ||
aHCC | 121.7 | 1987Kuchitsu(II/15) | 2 | 1 | 4 | ||
aHCC | 119.5 | 1987Kuchitsu(II/15) | 2 | 1 | 5 | ||
aHOC | 108.3 | 1987Kuchitsu(II/15) | 2 | 3 | 7 |
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. |