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

Listing of experimental geometry data for CH3NH2 (methyl amine)

Rotational Constants (cm-1)
See section I.F.4 to change rotational constant units
3.44000 0.75460 0.72370
Rotational Constants from 1966Herzberg
Calculated rotational constants for CH3NH2 (methyl amine).

Point Group Cs

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
rCN 1.471 1 2 1998Kuc r0
rNH 1.018 2 6 1998Kuc r0
rCH 1.093 1 3 1998Kuc r0
aHNH 105.8 6 2 7 1998Kuc
aHNC 111 1 2 6 1998Kuc
aHCH 108.4 3 1 4 1998Kuc
picture of methyl amine

Bond descriptions
Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
C-N 1
H-N 2
H-C 3

Atom x (Å) y (Å) z (Å)

Atom - Atom Distances (Å)

Calculated geometries for CH3NH2 (methyl amine).

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squib reference DOI
1966Herzberg Herzberg, G., Electronic spectra and electronic structure of polyatomic molecules,Van Nostrand,New York, 1966  
1998Kuc K Kuchitsu(ed) "Structure of Free Polyatomic Molecules - Basic Data" Springer, Berlin, 1998  

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