![]() |
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 |
---|---|
C5H8O | 2H-Pyran, 3,4-dihydro- |
description | Value | Reference | Comment | Atom number | |||
---|---|---|---|---|---|---|---|
rCO | 1.405 | 1992Kuchitsu(II/21) | !assumed, C has a = | 2 | 14 | ||
rCO | 1.420 | 1992Kuchitsu(II/21) | !assumed, C has a - | 13 | 14 | ||
rCC | 1.338 | 1992Kuchitsu(II/21) | !assumed | 2 | 4 | ||
rCC | 1.510 | 1992Kuchitsu(II/21) | !assumed, C has a = | 4 | 7 | ||
rCC | 1.530 | 1992Kuchitsu(II/21) | !assumed | 7 | 10 | ||
rCC | 1.516 | 1992Kuchitsu(II/21) | C has a -O | 10 | 13 | ||
rCH | 1.090 | 1992Kuchitsu(II/21) | !assumed | 1 | 2 | ||
aCCO | 123.4 | 1992Kuchitsu(II/21) | !assumed | 4 | 2 | 14 | |
aCCC | 123.3 | 1992Kuchitsu(II/21) | !assumed | 2 | 4 | 7 | |
aCCC | 110.3 | 1992Kuchitsu(II/21) | !assumed | 4 | 7 | 10 | |
aCOC | 111.6 | 1992Kuchitsu(II/21) | !assumed | 2 | 14 | 13 | |
aHCH | 109.0 | 1992Kuchitsu(II/21) | !assumed | 5 | 7 | 6 |
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. |