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

Listing of experimental geometry data for CH3NHCH3 (Dimethylamine)

Rotational Constants (cm-1)
See section I.F.4 to change rotational constant units
A B C
1.14220 0.31135 0.27406
Rotational Constants from 1968Wol/Lau:5058
Calculated rotational constants for CH3NHCH3 (Dimethylamine).

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 1.462 1 3 1968Wol/Lau:5058
rNH 1.019 1 2 1968Wol/Lau:5058
rCH 1.084 3 9 1968Wol/Lau:5058 point out
rCH 1.098 3 7 1968Wol/Lau:5058 point up
rCH 1.098 3 5 1968Wol/Lau:5058 point down
aCNC 112.2 3 1 4 1968Wol/Lau:5058
aHCH 109 7 3 9 1968Wol/Lau:5058 out to up
aHCH 109 5 3 9 1968Wol/Lau:5058 out to down
aHCH 107.2 5 3 7 1968Wol/Lau:5058 up to down
aHNC 108.9 2 1 3 1968Wol/Lau:5058
aHCN 109.7 1 3 9 1968Wol/Lau:5058 out H
aHCN 108.2 1 3 7 1968Wol/Lau:5058 up H
aHCN 113.8 1 3 5 1968Wol/Lau:5058 down H
picture of Dimethylamine

Bond descriptions
Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
H-C 6
H-N 1
C-N 2

Atom x (Å) y (Å) z (Å)
N1 0.0934 -0.5520 0.0000
H2 -0.6454 -1.2544 0.0000
C3 -0.0220 0.2554 1.2139
C4 -0.0220 0.2554 -1.2139
H5 -0.9221 0.8833 1.2437
H6 -0.9221 0.8833 -1.2437
H7 0.8440 0.9287 1.2609
H8 0.8440 0.9287 -1.2609
H9 -0.0138 -0.3909 2.0843
H10 -0.0138 -0.3909 -2.0843

Atom - Atom Distances (Å)
  N1 H2 C3 C4 H5 H6 H7 H8 H9 H10
N11.01941.46251.46252.15362.15362.08462.08462.09332.0933
H21.01942.03512.03512.48862.48862.92822.92822.34282.3428
C31.46252.03512.42781.09792.69151.09802.70701.08413.3609
C41.46252.03512.42782.69151.09792.70701.09803.36091.0841
H52.15362.48861.09792.69152.48741.76683.06501.77633.6775
H62.15362.48862.69151.09792.48743.06501.76683.67751.7763
H72.08462.92821.09802.70701.76683.06502.52181.77633.6970
H82.08462.92822.70701.09803.06501.76682.52183.69701.7763
H92.09332.34281.08413.36091.77633.67751.77633.69704.1686
H102.09332.34283.36091.08413.67751.77633.69701.77634.1686

Calculated geometries for CH3NHCH3 (Dimethylamine).


References
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squib reference DOI
1968Wol/Lau:5058 JE Wollrab, VW Laurie,"Microwave spectrum of Dimethylamine" J. Chem. Phys. 48(1), 5058, 1968 10.1063/1.1668177

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