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 |
---|---|
C5H10O | 2H-Pyran, tetrahydro- |
description | Value | Reference | Comment | Atom number | |||
---|---|---|---|---|---|---|---|
rCH | 1.116 | 1987Kuchitsu(II/15) | 2 | 3 | |||
rCO | 1.420 | 1987Kuchitsu(II/15) | 1 | 7 | |||
rCC | 1.531 | 1987Kuchitsu(II/15) | 2 | 5 | |||
aHCH | 109.4 | 1987Kuchitsu(II/15) | 3 | 2 | 4 | ||
aCOC | 112.3 | 1987Kuchitsu(II/15) | 7 | 1 | 8 | ||
aCCC | 109.6 | 1987Kuchitsu(II/15) | opposide O | 5 | 2 | 6 | |
aCCO | 112.0 | 1987Kuchitsu(II/15) | 1 | 7 | 6 | ||
aCCC | 110.0 | 1987Kuchitsu(II/15) | from C with O | 2 | 6 | 7 | |
dCCCO | 56.1 | 1987Kuchitsu(II/15) | 1 | 8 | 5 | 2 | |
dCCCC | 53.0 | 1987Kuchitsu(II/15) | 6 | 2 | 5 | 8 | |
dCOCC | 59.3 | 1987Kuchitsu(II/15) | 6 | 7 | 1 | 8 |
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. |