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	hartrees
Energy at 0K	-284.112225
Energy at 298.15K	-284.119180
HF Energy	-284.112225
Nuclear repulsion energy	179.617061

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3745	3559	50.80
2	A'	3525	3349	0.97
3	A'	3084	2930	15.39
4	A'	1886	1792	272.84
5	A'	1720	1635	22.84
6	A'	1481	1407	14.50
7	A'	1441	1370	35.92
8	A'	1337	1270	10.19
9	A'	1205	1145	153.55
10	A'	1175	1117	119.02
11	A'	971	923	166.69
12	A'	851	809	81.16
13	A'	645	613	9.11
14	A'	470	446	35.10
15	A'	260	247	10.09
16	A"	3607	3428	2.47
17	A"	3127	2971	7.25
18	A"	1407	1338	0.35
19	A"	1197	1137	1.11
20	A"	933	886	4.46
21	A"	686	652	109.34
22	A"	516	491	33.28
23	A"	239	228	54.99
24	A"	64	61	6.15

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.549	0.000
O2	1.179	0.809	0.000
O3	-0.961	1.491	0.000
C4	-0.582	-0.852	0.000
N5	0.390	-1.918	0.000
H6	-0.501	2.348	0.000
H7	-1.241	-0.944	0.872
H8	-1.241	-0.944	-0.872
H9	1.000	-1.809	0.806
H10	1.000	-1.809	-0.806

	C1	O2	O3	C4	N5	H6	H7	H8	H9	H10
C1		1.2077	1.3459	1.5171	2.4971	1.8677	2.1283	2.1283	2.6853	2.6853
O2	1.2077		2.2462	2.4213	2.8389	2.2782	3.1134	3.1134	2.7458	2.7458
O3	1.3459	2.2462		2.3738	3.6667	0.9727	2.6019	2.6019	3.9228	3.9228
C4	1.5171	2.4213	2.3738		1.4422	3.2013	1.0971	1.0971	2.0172	2.0172
N5	2.4971	2.8389	3.6667	1.4422		4.3577	2.0901	2.0901	1.0168	1.0168
H6	1.8677	2.2782	0.9727	3.2013	4.3577		3.4853	3.4853	4.4929	4.4929
H7	2.1283	3.1134	2.6019	1.0971	2.0901	3.4853		1.7448	2.4031	2.9305
H8	2.1283	3.1134	2.6019	1.0971	2.0901	3.4853	1.7448		2.9305	2.4031
H9	2.6853	2.7458	3.9228	2.0172	1.0168	4.4929	2.4031	2.9305		1.6122
H10	2.6853	2.7458	3.9228	2.0172	1.0168	4.4929	2.9305	2.4031	1.6122

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	106.206	C1	C4	N5	115.068
C1	C4	H7	107.924	C1	C4	H8	107.924
O2	C1	O3	123.102	O2	C1	C4	125.016
O3	C1	C4	111.883	C4	N5	H9	109.010
C4	N5	H10	109.010	N5	C4	H7	110.051
N5	C4	H8	110.051	H7	C4	H8	105.344
H9	N5	H10	104.901

All results from a given calculation for H₂NCH₂COOH (Glycine)

using model chemistry: PBE1PBE/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	0.551
2	O	-0.465
3	O	-0.574
4	C	-0.302
5	N	-0.722
6	H	0.427
7	H	0.214
8	H	0.214
9	H	0.329
10	H	0.329

	x	y	z	Total
	-0.657	1.143	0.000	1.318
CHELPG
AIM
ESP

	x	y	z
x	5.360	-0.312	0.000
y	-0.312	5.442	0.000
z	0.000	0.000	3.708

<r²>	116.895
(<r²>)^1/2	10.812

All results from a given calculation for H2NCH2COOH (Glycine)

using model chemistry: PBE1PBE/6-31G*

States and conformations

All results from a given calculation for H₂NCH₂COOH (Glycine)