return to home page

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
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).

By selecting the following links, you may be leaving NIST webspace. We have provided these links to other web sites because they may have information that would be of interest to you. No inferences should be drawn on account of other sites being referenced, or not, from this page. There may be other web sites that are more appropriate for your purpose. NIST does not necessarily endorse the views expressed, or concur with the facts presented on these sites. Further, NIST does not endorse any commercial products that may be mentioned on these sites. Please address comments about this page to
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  

Got a better number? Please email us at