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	hartrees
Energy at 0K	-284.195299
Energy at 298.15K	-284.202079
Nuclear repulsion energy	178.107875

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3629	3596	29.42
2	A'	3408	3377	0.09
3	A'	2974	2947	17.99
4	A'	1774	1758	249.95
5	A'	1630	1615	19.06
6	A'	1404	1392	14.81
7	A'	1347	1335	19.26
8	A'	1267	1256	5.70
9	A'	1140	1130	43.82
10	A'	1094	1084	226.28
11	A'	907	899	144.15
12	A'	803	796	74.82
13	A'	618	613	6.93
14	A'	450	446	31.73
15	A'	249	247	9.73
16	A"	3478	3446	0.75
17	A"	3009	2982	8.52
18	A"	1348	1335	0.79
19	A"	1145	1135	0.73
20	A"	892	884	2.88
21	A"	658	652	88.06
22	A"	493	489	32.95
23	A"	217	215	44.54
24	A"	49	48	6.27

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.554	0.000
O2	1.183	0.832	0.000
O3	-0.987	1.494	0.000
C4	-0.574	-0.862	0.000
N5	0.406	-1.936	0.000
H6	-0.528	2.358	0.000
H7	-1.238	-0.954	0.876
H8	-1.238	-0.954	-0.876
H9	1.021	-1.822	0.810
H10	1.021	-1.822	-0.810

	C1	O2	O3	C4	N5	H6	H7	H8	H9	H10
C1		1.2150	1.3633	1.5278	2.5226	1.8801	2.1386	2.1386	2.7097	2.7097
O2	1.2150		2.2689	2.4401	2.8746	2.2929	3.1330	3.1330	2.7791	2.7791
O3	1.3633	2.2689		2.3921	3.7019	0.9786	2.6121	2.6121	3.9603	3.9603
C4	1.5278	2.4401	2.3921		1.4533	3.2206	1.1033	1.1033	2.0300	2.0300
N5	2.5226	2.8746	3.7019	1.4533		4.3944	2.1054	2.1054	1.0240	1.0240
H6	1.8801	2.2929	0.9786	3.2206	4.3944		3.4989	3.4989	4.5309	4.5309
H7	2.1386	3.1330	2.6121	1.1033	2.1054	3.4989		1.7525	2.4208	2.9497
H8	2.1386	3.1330	2.6121	1.1033	2.1054	3.4989	1.7525		2.9497	2.4208
H9	2.7097	2.7791	3.9603	2.0300	1.0240	4.5309	2.4208	2.9497		1.6208
H10	2.7097	2.7791	3.9603	2.0300	1.0240	4.5309	2.9497	2.4208	1.6208

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	105.615	C1	C4	N5	115.579
C1	C4	H7	107.653	C1	C4	H8	107.653
O2	C1	O3	123.185	O2	C1	C4	125.277
O3	C1	C4	111.538	C4	N5	H9	108.823
C4	N5	H10	108.823	N5	C4	H7	110.123
N5	C4	H8	110.123	H7	C4	H8	105.159
H9	N5	H10	104.627

All results from a given calculation for H₂NCH₂COOH (Glycine)

using model chemistry: PBEPBE/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	0.250
2	O	-0.304
3	O	-0.290
4	C	-0.192
5	N	-0.418
6	H	0.242
7	H	0.161
8	H	0.161
9	H	0.195
10	H	0.195

	x	y	z	Total
	-0.664	0.983	0.000	1.186
CHELPG
AIM
ESP

	x	y	z
x	5.940	-0.382	0.000
y	-0.382	6.440	0.000
z	0.000	0.000	4.140

<r²>	118.954
(<r²>)^1/2	10.907

All results from a given calculation for H2NCH2COOH (Glycine)

using model chemistry: PBEPBE/6-311G**

States and conformations

All results from a given calculation for H₂NCH₂COOH (Glycine)