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

Listing of experimental geometry data for H2NCH2COOH (Glycine)

Rotational Constants (cm-1)
See section I.F.4 to change rotational constant units
A B C
0.34496 0.12930 0.09715
Rotational Constants from 1991Iij/Tan:257
Calculated rotational constants for H2NCH2COOH (Glycine).

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 1.469 4 5 1995Kuchitsu(II/23)
rCC 1.532 1 4 1995Kuchitsu(II/23)
rCO 1.207 1 2 1995Kuchitsu(II/23)
rCO 1.357 1 3 1995Kuchitsu(II/23)
rOH 0.974 3 6 1995Kuchitsu(II/23) !assumed
rNH 1.014 5 9 1995Kuchitsu(II/23) !assumed
rCH 1.096 4 7 1995Kuchitsu(II/23) !assumed
aCCN 113 1 4 5 1995Kuchitsu(II/23)
aCCO 125 2 1 4 1995Kuchitsu(II/23)
aCCO 111.5 3 1 4 1995Kuchitsu(II/23)
aHOC 110.5 1 3 6 1995Kuchitsu(II/23)
aHNC 113.27 4 5 9 1995Kuchitsu(II/23) !assumed
aHNH 110.29 9 5 10 1995Kuchitsu(II/23) !assumed
aHCH 107.04 7 4 8 1995Kuchitsu(II/23) !assumed
picture of Glycine

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

Atom x (Å) y (Å) z (Å)

Atom - Atom Distances (Å)
 

Calculated geometries for H2NCH2COOH (Glycine).


References
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squib reference DOI
1991Iij/Tan:257 K Iijima, K Tanaka, S Onuma "Main conformer of gaseous glycine: molecular structure and rotational barrier from electron diffraction data and rotational constants" J. Mol. Struct. 246 (1991), 257-266 10.1016/0022-2860(91)80132-N
1995Kuchitsu(II/23) Kuchitsu (ed.), Landolt-Bornstein: Group II: Molecules and Radicals Volume 23: Structure Data for Free Polyatomic Molecules. Springer. Berlin. 1995  

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