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	hartrees
Energy at 0K	-282.763798
Energy at 298.15K	-282.770398
Nuclear repulsion energy	175.218687

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3339	3320	1.58
2	A	3270	3252	0.54
3	A	3256	3238	1.69
4	A	3026	3010	8.31
5	A	2992	2975	12.30
6	A	1703	1694	149.50
7	A	1697	1687	3.22
8	A	1466	1458	19.96
9	A	1368	1361	1.31
10	A	1337	1329	14.14
11	A	1291	1284	2.62
12	A	1185	1178	0.58
13	A	1092	1086	24.23
14	A	1019	1013	187.94
15	A	897	892	1.80
16	A	792	787	55.35
17	A	739	735	205.66
18	A	650	646	100.83
19	A	595	591	5.54
20	A	492	489	47.23
21	A	430	428	33.33
22	A	226	225	12.20
23	A	204	202	46.86
24	A	41	40	13.52

Atom	x (Å)	y (Å)	z (Å)
C1	-0.536	0.124	-0.000
O2	-0.564	1.362	-0.000
O3	-1.686	-0.677	0.001
C4	0.723	-0.765	-0.001
N5	1.994	0.002	0.000
H6	-2.485	-0.053	0.001
H7	0.682	-1.421	0.883
H8	0.682	-1.419	-0.888
H9	2.024	0.616	0.835
H10	2.020	0.625	-0.829

	C1	O2	O3	C4	N5	H6	H7	H8	H9	H10
C1		1.2376	1.4018	1.5418	2.5329	1.9569	2.1573	2.1570	2.7375	2.7332
O2	1.2376		2.3272	2.4858	2.8969	2.3859	3.1747	3.1734	2.8199	2.8117
O3	1.4018	2.3272		2.4113	3.7421	1.0135	2.6347	2.6357	4.0168	4.0147
C4	1.5418	2.4858	2.4113		1.4837	3.2864	1.1025	1.1026	2.0730	2.0728
N5	2.5329	2.8969	3.7421	1.4837		4.4792	2.1276	2.1278	1.0373	1.0373
H6	1.9569	2.3859	1.0135	3.2864	4.4792		3.5609	3.5613	4.6342	4.6305
H7	2.1573	3.1747	2.6347	1.1025	2.1276	3.5609		1.7713	2.4401	2.9848
H8	2.1570	3.1734	2.6357	1.1026	2.1278	3.5613	1.7713		2.9851	2.4435
H9	2.7375	2.8199	4.0168	2.0730	1.0373	4.6342	2.4401	2.9851		1.6642
H10	2.7332	2.8117	4.0147	2.0728	1.0373	4.6305	2.9848	2.4435	1.6642

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	107.145	C1	C4	N5	113.680
C1	C4	H7	108.189	C1	C4	H8	108.165
O2	C1	O3	123.583	O2	C1	C4	126.504
O3	C1	C4	109.913	C4	N5	H9	109.358
C4	N5	H10	109.340	N5	C4	H7	109.833
N5	C4	H8	109.846	H7	C4	H8	106.886
H9	N5	H10	106.679

All results from a given calculation for H₂NCH₂COOH (Glycine)

using model chemistry: BLYP/3-21G

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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Number	Element	Mulliken
1	C	0.524
2	O	-0.444
3	O	-0.497
4	C	-0.301
5	N	-0.583
6	H	0.339
7	H	0.226
8	H	0.226
9	H	0.255
10	H	0.255

	x	y	z	Total
	-1.273	-0.106	-0.003	1.278
CHELPG
AIM
ESP

<r²>	121.527
(<r²>)^1/2	11.024

All results from a given calculation for H2NCH2COOH (Glycine)

using model chemistry: BLYP/3-21G

States and conformations

All results from a given calculation for H₂NCH₂COOH (Glycine)