return to home page 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

Compare Experimental Geometries - experimental data

Species Name
C4H6O Furan, 2,5-dihydro-
The following table lists the experimentally determined internal coordinates. Coordinate descriptions starting with "r" are bond lengths, starting with "a" are bond angles, and starting with "d" are dihedral angles. Atom numbers are the numbers on the picture of the molecule below to indicate which atoms are invloved in the bond or angle.
Units: bond lengths are in Å, angles are in degrees.
description Value Reference Comment Atom number
rCC 1.347 1987Kuchitsu(II/15)   3 4   
rCC 1.502 1987Kuchitsu(II/15)   2 3   
rCO 1.440 1987Kuchitsu(II/15)   1 2   
rCH 1.100 1987Kuchitsu(II/15)   2 7   
aCCCl 109.3 1987Kuchitsu(II/15)   2 3 4  
aHCH 107.1 1987Kuchitsu(II/15)   6 2 7  
aHCC 134.8 1987Kuchitsu(II/15)   3 4 11  

picture of
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.