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 |
---|---|
C2H6O2 | 1,2-Ethanediol |
description | Value | Reference | Comment | Atom number | |||
---|---|---|---|---|---|---|---|
rCO | 1.420 | 1992Kuchitsu(II/21) | !assumed | 1 | 4 | ||
rCC | 1.530 | 1992Kuchitsu(II/21) | !assumed | 1 | 2 | ||
rOH | 0.950 | 1992Kuchitsu(II/21) | !assumed | 3 | 5 | ||
rCH | 1.093 | 1992Kuchitsu(II/21) | !assumed | 1 | 9 | ||
aCCO | 107.8 | 1992Kuchitsu(II/21) | !assumed | 1 | 2 | 3 | |
aHOC | 104.5 | 1992Kuchitsu(II/21) | !assumed | 1 | 4 | 6 | |
aHCC | 109.5 | 1992Kuchitsu(II/21) | !assumed | 1 | 2 | 7 | |
dHOCC | 0.0 | 1992Kuchitsu(II/21) | 2 | 1 | 4 | 6 | |
dOCCO | 53.6 | 1992Kuchitsu(II/21) | 3 | 2 | 1 | 4 |
squib | reference |
---|---|
1992Kuchitsu(II/21) | Kuchitsu (ed.), Landolt-Bornstein: Group II: Atomic and Molecular Physics Volume 21: Structure Data of Free Polyatomic Molecules. Springer-Verlag, Berlin, 1992. |