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	hartrees
Energy at 0K	-284.391977
Energy at 298.15K	-284.398928
Nuclear repulsion energy	179.488501

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3748	3608	31.36
2	A'	3520	3388	0.13
3	A'	3057	2943	19.37
4	A'	1849	1780	298.78
5	A'	1730	1666	25.20
6	A'	1464	1409	17.94
7	A'	1416	1363	22.08
8	A'	1325	1276	3.46
9	A'	1186	1142	153.41
10	A'	1153	1110	151.71
11	A'	949	913	169.65
12	A'	837	806	83.68
13	A'	644	620	8.39
14	A'	467	449	33.95
15	A'	256	246	10.07
16	A"	3591	3457	0.78
17	A"	3093	2977	10.59
18	A"	1404	1351	0.43
19	A"	1197	1152	1.21
20	A"	928	893	4.52
21	A"	690	665	119.20
22	A"	515	496	33.85
23	A"	238	229	53.52
24	A"	64	61	5.40

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.552	0.000
O2	1.171	0.830	0.000
O3	-0.975	1.482	0.000
C4	-0.570	-0.856	0.000
N5	0.405	-1.922	0.000
H6	-0.543	2.348	0.000
H7	-1.229	-0.951	0.870
H8	-1.229	-0.951	-0.870
H9	1.011	-1.831	0.808
H10	1.011	-1.831	-0.808

	C1	O2	O3	C4	N5	H6	H7	H8	H9	H10
C1		1.2035	1.3479	1.5185	2.5060	1.8770	2.1272	2.1272	2.7112	2.7112
O2	1.2035		2.2429	2.4232	2.8562	2.2897	3.1125	3.1125	2.7854	2.7854
O3	1.3479	2.2429		2.3729	3.6725	0.9681	2.5962	2.5962	3.9462	3.9462
C4	1.5185	2.4232	2.3729		1.4438	3.2043	1.0954	1.0954	2.0252	2.0252
N5	2.5060	2.8562	3.6725	1.4438		4.3737	2.0896	2.0896	1.0142	1.0142
H6	1.8770	2.2897	0.9681	3.2043	4.3737		3.4803	3.4803	4.5313	4.5313
H7	2.1272	3.1125	2.5962	1.0954	2.0896	3.4803		1.7391	2.4073	2.9334
H8	2.1272	3.1125	2.5962	1.0954	2.0896	3.4803	1.7391		2.9334	2.4073
H9	2.7112	2.7854	3.9462	2.0252	1.0142	4.5313	2.4073	2.9334		1.6157
H10	2.7112	2.7854	3.9462	2.0252	1.0142	4.5313	2.9334	2.4073	1.6157

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	107.139	C1	C4	N5	115.525
C1	C4	H7	107.839	C1	C4	H8	107.839
O2	C1	O3	122.974	O2	C1	C4	125.413
O3	C1	C4	111.613	C4	N5	H9	109.725
C4	N5	H10	109.725	N5	C4	H7	110.003
N5	C4	H8	110.003	H7	C4	H8	105.090
H9	N5	H10	105.606

All results from a given calculation for H₂NCH₂COOH (Glycine)

using model chemistry: B3PW91/6-311G*

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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Number	Element	Mulliken
1	C	0.389
2	O	-0.343
3	O	-0.505
4	C	-0.387
5	N	-0.727
6	H	0.404
7	H	0.258
8	H	0.258
9	H	0.327
10	H	0.327

	x	y	z	Total
	-0.628	1.091	0.000	1.259
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for H2NCH2COOH (Glycine)

using model chemistry: B3PW91/6-311G*

States and conformations

All results from a given calculation for H₂NCH₂COOH (Glycine)