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	hartrees
Energy at 0K	-281.773205
Energy at 298.15K	-281.780074
HF Energy	-281.241431
Nuclear repulsion energy	176.169253

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3497	3327	15.71
2	A'	3443	3275	0.01
3	A'	3119	2967	8.73
4	A'	1774	1687	26.58
5	A'	1744	1659	108.27
6	A'	1555	1480	18.53
7	A'	1412	1343	22.43
8	A'	1352	1286	5.02
9	A'	1140	1084	60.37
10	A'	1085	1032	211.41
11	A'	874	831	120.78
12	A'	794	755	162.22
13	A'	631	600	6.50
14	A'	458	436	36.34
15	A'	243	231	10.64
16	A"	3536	3364	0.16
17	A"	3165	3010	6.01
18	A"	1420	1351	0.64
19	A"	1232	1172	0.47
20	A"	944	898	1.76
21	A"	655	623	129.03
22	A"	521	496	49.15
23	A"	231	220	56.57
24	A"	71	67	9.89

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.544	0.000
O2	1.201	0.843	0.000
O3	-1.025	1.489	0.000
C4	-0.588	-0.865	0.000
N5	0.444	-1.928	0.000
H6	-0.610	2.395	0.000
H7	-1.228	-0.972	0.881
H8	-1.228	-0.972	-0.881
H9	1.038	-1.845	0.829
H10	1.038	-1.845	-0.829

	C1	O2	O3	C4	N5	H6	H7	H8	H9	H10
C1		1.2375	1.3939	1.5276	2.5116	1.9485	2.1409	2.1409	2.7340	2.7340
O2	1.2375		2.3176	2.4738	2.8722	2.3847	3.1574	3.1574	2.8178	2.8178
O3	1.3939	2.3176		2.3948	3.7193	0.9965	2.6221	2.6221	4.0076	4.0076
C4	1.5276	2.4738	2.3948		1.4812	3.2607	1.0941	1.0941	2.0717	2.0717
N5	2.5116	2.8722	3.7193	1.4812		4.4494	2.1179	2.1179	1.0232	1.0232
H6	1.9485	2.3847	0.9965	3.2607	4.4494		3.5350	3.5350	4.6241	4.6241
H7	2.1409	3.1574	2.6221	1.0941	2.1179	3.5350		1.7625	2.4289	2.9702
H8	2.1409	3.1574	2.6221	1.0941	2.1179	3.5350	1.7625		2.9702	2.4289
H9	2.7340	2.8178	4.0076	2.0717	1.0232	4.6241	2.4289	2.9702		1.6580
H10	2.7340	2.8178	4.0076	2.0717	1.0232	4.6241	2.9702	2.4289	1.6580

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	108.053	C1	C4	N5	113.171
C1	C4	H7	108.355	C1	C4	H8	108.355
O2	C1	O3	123.360	O2	C1	C4	126.610
O3	C1	C4	110.031	C4	N5	H9	110.289
C4	N5	H10	110.289	N5	C4	H7	109.735
N5	C4	H8	109.735	H7	C4	H8	107.310
H9	N5	H10	108.236

All results from a given calculation for H₂NCH₂COOH (Glycine)

using model chemistry: MP2/3-21G*

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	0.592
2	O	-0.457
3	O	-0.577
4	C	-0.302
5	N	-0.652
6	H	0.369
7	H	0.238
8	H	0.238
9	H	0.275
10	H	0.275

	x	y	z	Total
	-0.228	1.270	0.000	1.290
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for H2NCH2COOH (Glycine)

using model chemistry: MP2/3-21G*

States and conformations

All results from a given calculation for H₂NCH₂COOH (Glycine)