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	hartrees
Energy at 0K	-282.948834
Energy at 298.15K	-282.956027
Nuclear repulsion energy	181.420644

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4123	3746	117.26
2	A'	3746	3403	5.28
3	A'	3190	2898	21.93
4	A'	1997	1815	404.76
5	A'	1808	1643	21.73
6	A'	1587	1442	11.46
7	A'	1547	1406	34.21
8	A'	1424	1294	23.91
9	A'	1288	1170	271.78
10	A'	1217	1106	70.88
11	A'	1000	909	129.71
12	A'	891	810	97.35
13	A'	698	634	10.54
14	A'	504	458	30.40
15	A'	279	253	10.96
16	A"	3818	3469	10.48
17	A"	3223	2928	12.74
18	A"	1497	1360	0.06
19	A"	1284	1167	2.71
20	A"	1001	909	5.87
21	A"	691	627	105.68
22	A"	548	498	42.24
23	A"	241	219	47.99
24	A"	81	73	5.35

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.554	0.000
O2	1.146	0.835	0.000
O3	-0.963	1.464	0.000
C4	-0.562	-0.853	0.000
N5	0.413	-1.907	0.000
H6	-0.574	2.325	0.000
H7	-1.208	-0.941	0.865
H8	-1.208	-0.941	-0.865
H9	1.005	-1.850	0.801
H10	1.005	-1.850	-0.801

	C1	O2	O3	C4	N5	H6	H7	H8	H9	H10
C1		1.1804	1.3255	1.5149	2.4950	1.8620	2.1082	2.1082	2.7258	2.7258
O2	1.1804		2.2014	2.4018	2.8387	2.2758	3.0741	3.0741	2.8060	2.8060
O3	1.3255	2.2014		2.3519	3.6412	0.9447	2.5684	2.5684	3.9370	3.9370
C4	1.5149	2.4018	2.3519		1.4354	3.1781	1.0837	1.0837	2.0225	2.0225
N5	2.4950	2.8387	3.6412	1.4354		4.3455	2.0755	2.0755	0.9980	0.9980
H6	1.8620	2.2758	0.9447	3.1781	4.3455		3.4383	3.4383	4.5350	4.5350
H7	2.1082	3.0741	2.5684	1.0837	2.0755	3.4383		1.7305	2.3931	2.9155
H8	2.1082	3.0741	2.5684	1.0837	2.0755	3.4383	1.7305		2.9155	2.3931
H9	2.7258	2.8060	3.9370	2.0225	0.9980	4.5350	2.3931	2.9155		1.6028
H10	2.7258	2.8060	3.9370	2.0225	0.9980	4.5350	2.9155	2.3931	1.6028

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	109.060	C1	C4	N5	115.469
C1	C4	H7	107.284	C1	C4	H8	107.284
O2	C1	O3	122.811	O2	C1	C4	125.571
O3	C1	C4	111.617	C4	N5	H9	111.158
C4	N5	H10	111.158	N5	C4	H7	110.182
N5	C4	H8	110.182	H7	C4	H8	105.962
H9	N5	H10	106.832

All results from a given calculation for H₂NCH₂COOH (Glycine)

using model chemistry: HF/6-311+G(3df,2p)

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	1.263
2	O	-0.904
3	O	-0.681
4	C	0.328
5	N	-0.927
6	H	0.252
7	H	0.147
8	H	0.147
9	H	0.187
10	H	0.187

	x	y	z	Total
	-1.053	0.751	0.000	1.293
CHELPG
AIM
ESP

	x	y	z
x	5.951	-0.164	0.000
y	-0.164	6.192	0.000
z	0.000	0.000	4.483

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for H2NCH2COOH (Glycine)

using model chemistry: HF/6-311+G(3df,2p)

States and conformations

All results from a given calculation for H₂NCH₂COOH (Glycine)