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Compare Experimental Geometries - experimental data

Species Name
C4H4N2 Pyrazine
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
rCH 1.083 1992Kuchitsu(II/21)   3 7   
rCN 1.338 1992Kuchitsu(II/21)   2 5   
rCC 1.397 1992Kuchitsu(II/21)   3 6   
aCNC 115.7 1992Kuchitsu(II/21)   3 1 4  
aHCC 120.0 1992Kuchitsu(II/21)   3 6 10  
aCCN 122.2 1992Kuchitsu(II/21) by symmetry 1 4 5  
aHCN 117.9 1992Kuchitsu(II/21) by symmetry 1 4 8  

picture of
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.