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II.A.3. (XII.A.1.)

Listing of experimental geometry data for CH3NC (methyl isocyanide)

Rotational Constants (cm-1)
See section I.F.4 to change rotational constant units
A B C
     
Rotational Constants from
Calculated rotational constants for CH3NC (methyl isocyanide).

Point Group C3v

Internal coordinates (distances (r) in Å) (angles (a) in degrees) (dihedrals (d) in degrees)
Description Value Connectivity Reference Comment
Atom 1 Atom 2 Atom 3 Atom 4
rCH 1.094 1 4 1987Kuchitsu(II/15) CD3NC measured
rCN 1.426 1 2 1987Kuchitsu(II/15) from CD3NC
rCN 1.166 2 3 1987Kuchitsu(II/15) from CD3NC
aHCH 109.4 4 1 5 1987Kuchitsu(II/15) from CD3NC
aHCN 109.6 2 1 4 1987Kuchitsu(II/15) from CD3NC
picture of methyl isocyanide

Bond descriptions
Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
H-C 3
C-N 1
C#N 1

Atom x (Å) y (Å) z (Å)

Atom - Atom Distances (Å)
 

Calculated geometries for CH3NC (methyl isocyanide).


References
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squib reference DOI
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.  

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