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Compare Experimental Geometries - experimental data

Species Name
CH3NC methyl isocyanide
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 1.094 1987Kuchitsu(II/15) CD3NC measured 1 4   
rCN 1.426 1987Kuchitsu(II/15) from CD3NC 1 2   
rCN 1.166 1987Kuchitsu(II/15) from CD3NC 2 3   
aHCH 109.4 1987Kuchitsu(II/15) from CD3NC 4 1 5  
aHCN 109.6 1987Kuchitsu(II/15) from CD3NC 2 1 4  

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.