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	hartrees
Energy at 0K	-284.103137
Energy at 298.15K	-284.109927
Nuclear repulsion energy	177.790859

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3552	3501	21.44
2	A'	3379	3331	0.22
3	A'	2988	2945	16.69
4	A'	1790	1765	227.36
5	A'	1667	1643	18.05
6	A'	1433	1412	13.41
7	A'	1369	1349	18.75
8	A'	1285	1266	8.05
9	A'	1155	1139	64.30
10	A'	1112	1096	189.27
11	A'	937	924	168.86
12	A'	810	799	59.96
13	A'	615	607	7.58
14	A'	449	442	33.59
15	A'	251	248	9.46
16	A"	3459	3410	0.19
17	A"	3028	2984	8.27
18	A"	1365	1345	0.58
19	A"	1156	1139	0.71
20	A"	900	887	2.89
21	A"	674	665	95.74
22	A"	498	491	31.82
23	A"	230	226	50.25
24	A"	48	47	5.90

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.552	0.000
O2	1.192	0.818	0.000
O3	-0.978	1.504	0.000
C4	-0.585	-0.861	0.000
N5	0.395	-1.937	0.000
H6	-0.498	2.366	0.000
H7	-1.249	-0.957	0.879
H8	-1.249	-0.957	-0.879
H9	1.014	-1.807	0.810
H10	1.014	-1.807	-0.810

	C1	O2	O3	C4	N5	H6	H7	H8	H9	H10
C1		1.2218	1.3650	1.5298	2.5206	1.8811	2.1471	2.1471	2.6927	2.6927
O2	1.2218		2.2763	2.4455	2.8689	2.2922	3.1439	3.1439	2.7536	2.7536
O3	1.3650	2.2763		2.3982	3.7054	0.9861	2.6278	2.6278	3.9485	3.9485
C4	1.5298	2.4455	2.3982		1.4552	3.2285	1.1059	1.1059	2.0266	2.0266
N5	2.5206	2.8689	3.7054	1.4552		4.3951	2.1059	2.1059	1.0278	1.0278
H6	1.8811	2.2922	0.9861	3.2285	4.3951		3.5184	3.5184	4.5121	4.5121
H7	2.1471	3.1439	2.6278	1.1059	2.1059	3.5184		1.7588	2.4179	2.9488
H8	2.1471	3.1439	2.6278	1.1059	2.1059	3.5184	1.7588		2.9488	2.4179
H9	2.6927	2.7536	3.9485	2.0266	1.0278	4.5121	2.4179	2.9488		1.6200
H10	2.6927	2.7536	3.9485	2.0266	1.0278	4.5121	2.9488	2.4179	1.6200

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	105.134	C1	C4	N5	115.203
C1	C4	H7	108.028	C1	C4	H8	108.028
O2	C1	O3	123.179	O2	C1	C4	125.067
O3	C1	C4	111.754	C4	N5	H9	108.175
C4	N5	H10	108.175	N5	C4	H7	109.876
N5	C4	H8	109.876	H7	C4	H8	105.349
H9	N5	H10	104.018

All results from a given calculation for H₂NCH₂COOH (Glycine)

using model chemistry: PBEPBE/6-31G*

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	0.489
2	O	-0.428
3	O	-0.522
4	C	-0.283
5	N	-0.665
6	H	0.400
7	H	0.197
8	H	0.197
9	H	0.308
10	H	0.308

	x	y	z	Total
	-0.588	1.135	0.000	1.278
CHELPG
AIM
ESP

	x	y	z
x	5.606	-0.371	0.000
y	-0.371	5.962	0.000
z	0.000	0.000	3.825

<r²>	118.829
(<r²>)^1/2	10.901

All results from a given calculation for H2NCH2COOH (Glycine)

using model chemistry: PBEPBE/6-31G*

States and conformations

All results from a given calculation for H₂NCH₂COOH (Glycine)