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	hartrees
Energy at 0K	-284.103140
Energy at 298.15K	-284.109939
Nuclear repulsion energy	177.794624

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3549	3490	21.45
2	A'	3380	3324	0.22
3	A'	2988	2939	16.64
4	A'	1790	1761	227.42
5	A'	1668	1641	17.92
6	A'	1433	1409	13.36
7	A'	1368	1346	18.71
8	A'	1285	1263	8.14
9	A'	1155	1136	64.07
10	A'	1112	1093	189.35
11	A'	939	923	169.98
12	A'	811	798	58.73
13	A'	616	605	7.71
14	A'	449	441	33.70
15	A'	251	247	9.37
16	A"	3460	3403	0.19
17	A"	3028	2978	8.25
18	A"	1366	1344	0.58
19	A"	1156	1137	0.70
20	A"	900	886	2.89
21	A"	673	662	95.41
22	A"	498	489	32.14
23	A"	226	222	49.72
24	A"	56	55	6.52

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.552	0.000
O2	1.193	0.818	0.000
O3	-0.977	1.505	0.000
C4	-0.585	-0.861	0.000
N5	0.394	-1.937	0.000
H6	-0.497	2.366	0.000
H7	-1.249	-0.957	0.879
H8	-1.249	-0.957	-0.879
H9	1.013	-1.807	0.810
H10	1.013	-1.807	-0.810

	C1	O2	O3	C4	N5	H6	H7	H8	H9	H10
C1		1.2218	1.3650	1.5298	2.5204	1.8809	2.1472	2.1472	2.6917	2.6917
O2	1.2218		2.2762	2.4455	2.8683	2.2919	3.1439	3.1439	2.7521	2.7521
O3	1.3650	2.2762		2.3983	3.7054	0.9861	2.6282	2.6282	3.9477	3.9477
C4	1.5298	2.4455	2.3983		1.4553	3.2285	1.1058	1.1058	2.0263	2.0263
N5	2.5204	2.8683	3.7054	1.4553		4.3948	2.1060	2.1060	1.0278	1.0278
H6	1.8809	2.2919	0.9861	3.2285	4.3948		3.5187	3.5187	4.5109	4.5109
H7	2.1472	3.1439	2.6282	1.1058	2.1060	3.5187		1.7588	2.4177	2.9486
H8	2.1472	3.1439	2.6282	1.1058	2.1060	3.5187	1.7588		2.9486	2.4177
H9	2.6917	2.7521	3.9477	2.0263	1.0278	4.5109	2.4177	2.9486		1.6197
H10	2.6917	2.7521	3.9477	2.0263	1.0278	4.5109	2.9486	2.4177	1.6197

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	105.123	C1	C4	N5	115.180
C1	C4	H7	108.037	C1	C4	H8	108.037
O2	C1	O3	123.176	O2	C1	C4	125.060
O3	C1	C4	111.765	C4	N5	H9	108.144
C4	N5	H10	108.144	N5	C4	H7	109.876
N5	C4	H8	109.876	H7	C4	H8	105.358
H9	N5	H10	103.991

All results from a given calculation for H₂NCH₂COOH (Glycine)

using model chemistry: PBEPBEultrafine/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	1.138	0.000	1.281
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>	118.819
(<r²>)^1/2	10.900

All results from a given calculation for H2NCH2COOH (Glycine)

using model chemistry: PBEPBEultrafine/6-31G*

States and conformations

All results from a given calculation for H₂NCH₂COOH (Glycine)