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

Listing of experimental geometry data for CH2NH (Methanimine)

Rotational Constants (cm-1)
See section I.F.4 to change rotational constant units
A B C
6.54490 1.15555 0.97909
Rotational Constants from 1977Pea/Lov:4149
Calculated rotational constants for CH2NH (Methanimine).

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 1.273 1 2 1979Har/Lau:619
rNH 1.023 2 5 1979Har/Lau:619
rCH 1.103 1 3 1979Har/Lau:619 same side as NH
rCH 1.081 1 4 1979Har/Lau:619
aHNC 110.5 1 2 5 1979Har/Lau:619
aHCH 116.9 3 1 4 1979Har/Lau:619
aHCN 123.4 2 1 3 1979Har/Lau:619 same side as NH
aHCN 119.7 2 1 4 1979Har/Lau:619
picture of Methanimine

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 1
H-C 2

Atom x (Å) y (Å) z (Å)
C1 0.0588 0.5875 0.0000
N2 0.0588 -0.6855 0.0000
H3 -0.8621 1.1946 0.0000
H4 0.9977 1.1231 0.0000
H5 -0.8995 -1.0438 0.0000

Atom - Atom Distances (Å)
  C1 N2 H3 H4 H5
C11.27301.10301.08101.8919
N21.27302.09362.03781.0230
H31.10302.09361.86122.2388
H41.08102.03781.86122.8800
H51.89191.02302.23882.8800

Calculated geometries for CH2NH (Methanimine).


References
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squib reference DOI
1977Pea/Lov:4149 R Pearson, Jr; FJ Lovas "Microwave spectrum and molecular structure of methylenimine (CH2NH)" J. Chem. Phys. 66(9) 4149, 1977 10.1063/1.434490
1979Har/Lau:619 Harmony, Laurie, Kuczkowski, et.al., Molecular structures of gas-phase polyatomic molecules determined by spectroscopic methods, J. of Phys. And Chem. Ref. Data, Vol. 8, #3, pgs. 619-722 10.1063/1.555605

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