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	hartrees
Energy at 0K	-284.317328
Energy at 298.15K	-284.324260
Nuclear repulsion energy	179.180161

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3715	3554	44.72
2	A'	3503	3351	0.67
3	A'	3069	2936	16.70
4	A'	1865	1784	265.77
5	A'	1715	1640	22.13
6	A'	1479	1415	14.17
7	A'	1427	1366	28.14
8	A'	1330	1273	10.75
9	A'	1193	1141	140.02
10	A'	1160	1110	136.00
11	A'	960	918	171.40
12	A'	840	804	77.10
13	A'	640	612	8.69
14	A'	466	445	34.28
15	A'	258	247	9.95
16	A"	3585	3430	1.74
17	A"	3110	2976	8.49
18	A"	1402	1342	0.32
19	A"	1193	1142	1.04
20	A"	929	889	4.23
21	A"	683	653	108.09
22	A"	513	491	33.70
23	A"	241	231	54.55
24	A"	63	60	5.62

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.550	0.000
O2	1.180	0.818	0.000
O3	-0.969	1.491	0.000
C4	-0.580	-0.856	0.000
N5	0.395	-1.923	0.000
H6	-0.512	2.352	0.000
H7	-1.238	-0.949	0.873
H8	-1.238	-0.949	-0.873
H9	1.005	-1.818	0.807
H10	1.005	-1.818	-0.807

	C1	O2	O3	C4	N5	H6	H7	H8	H9	H10
C1		1.2098	1.3503	1.5210	2.5047	1.8724	2.1314	2.1314	2.6964	2.6964
O2	1.2098		2.2516	2.4283	2.8510	2.2833	3.1193	3.1193	2.7620	2.7620
O3	1.3503	2.2516		2.3791	3.6765	0.9742	2.6057	2.6057	3.9367	3.9367
C4	1.5210	2.4283	2.3791		1.4452	3.2082	1.0974	1.0974	2.0221	2.0221
N5	2.5047	2.8510	3.6765	1.4452		4.3696	2.0922	2.0922	1.0176	1.0176
H6	1.8724	2.2833	0.9742	3.2082	4.3696		3.4905	3.4905	4.5095	4.5095
H7	2.1314	3.1193	2.6057	1.0974	2.0922	3.4905		1.7461	2.4065	2.9344
H8	2.1314	3.1193	2.6057	1.0974	2.0922	3.4905	1.7461		2.9344	2.4065
H9	2.6964	2.7620	3.9367	2.0221	1.0176	4.5095	2.4065	2.9344		1.6149
H10	2.6964	2.7620	3.9367	2.0221	1.0176	4.5095	2.9344	2.4065	1.6149

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	106.184	C1	C4	N5	115.197
C1	C4	H7	107.883	C1	C4	H8	107.883
O2	C1	O3	123.065	O2	C1	C4	125.168
O3	C1	C4	111.767	C4	N5	H9	109.152
C4	N5	H10	109.152	N5	C4	H7	109.990
N5	C4	H8	109.990	H7	C4	H8	105.416
H9	N5	H10	105.019

All results from a given calculation for H₂NCH₂COOH (Glycine)

using model chemistry: B3PW91/6-31G*

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	0.549
2	O	-0.466
3	O	-0.570
4	C	-0.291
5	N	-0.716
6	H	0.424
7	H	0.210
8	H	0.210
9	H	0.326
10	H	0.326

	x	y	z	Total
	-0.646	1.112	0.000	1.286
CHELPG
AIM
ESP

<r²>	117.419
(<r²>)^1/2	10.836

All results from a given calculation for H2NCH2COOH (Glycine)

using model chemistry: B3PW91/6-31G*

States and conformations

All results from a given calculation for H₂NCH₂COOH (Glycine)