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	hartrees
Energy at 0K	-281.247498
Energy at 298.15K	-281.254613
Nuclear repulsion energy	179.478842

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3868	3503	66.32
2	A'	3688	3339	3.13
3	A'	3241	2935	9.76
4	A'	1968	1782	262.51
5	A'	1861	1685	27.92
6	A'	1619	1466	23.65
7	A'	1514	1371	36.41
8	A'	1440	1304	12.08
9	A'	1222	1106	240.45
10	A'	1177	1066	81.13
11	A'	915	829	52.11
12	A'	795	720	323.01
13	A'	684	619	3.78
14	A'	494	447	40.24
15	A'	261	236	14.28
16	A"	3780	3423	7.09
17	A"	3278	2969	5.84
18	A"	1493	1352	0.02
19	A"	1306	1183	1.58
20	A"	996	902	11.53
21	A"	682	618	161.43
22	A"	545	494	66.06
23	A"	244	221	59.07
24	A"	95	86	8.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.542	0.000
O2	1.164	0.843	0.000
O3	-0.997	1.463	0.000
C4	-0.570	-0.854	0.000
N5	0.446	-1.893	0.000
H6	-0.657	2.370	0.000
H7	-1.208	-0.955	0.868
H8	-1.208	-0.955	-0.868
H9	1.017	-1.891	0.825
H10	1.017	-1.891	-0.825

	C1	O2	O3	C4	N5	H6	H7	H8	H9	H10
C1		1.2019	1.3567	1.5087	2.4764	1.9426	2.1108	2.1108	2.7636	2.7636
O2	1.2019		2.2476	2.4264	2.8289	2.3769	3.1003	3.1003	2.8595	2.8595
O3	1.3567	2.2476		2.3563	3.6535	0.9687	2.5778	2.5778	3.9982	3.9982
C4	1.5087	2.4264	2.3563		1.4536	3.2259	1.0822	1.0822	2.0678	2.0678
N5	2.4764	2.8289	3.6535	1.4536		4.4043	2.0910	2.0910	1.0036	1.0036
H6	1.9426	2.3769	0.9687	3.2259	4.4043		3.4806	3.4806	4.6523	4.6523
H7	2.1108	3.1003	2.5778	1.0822	2.0910	3.4806		1.7369	2.4145	2.9491
H8	2.1108	3.1003	2.5778	1.0822	2.0910	3.4806	1.7369		2.9491	2.4145
H9	2.7636	2.8595	3.9982	2.0678	1.0036	4.6523	2.4145	2.9491		1.6509
H10	2.7636	2.8595	3.9982	2.0678	1.0036	4.6523	2.9491	2.4145	1.6509

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	112.231	C1	C4	N5	113.422
C1	C4	H7	107.980	C1	C4	H8	107.980
O2	C1	O3	122.790	O2	C1	C4	126.685
O3	C1	C4	110.524	C4	N5	H9	113.329
C4	N5	H10	113.329	N5	C4	H7	110.233
N5	C4	H8	110.233	H7	C4	H8	106.737
H9	N5	H10	110.661

All results from a given calculation for H₂NCH₂COOH (Glycine)

using model chemistry: HF/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	0.823
2	O	-0.607
3	O	-0.720
4	C	-0.298
5	N	-0.772
6	H	0.413
7	H	0.268
8	H	0.268
9	H	0.312
10	H	0.312

	x	y	z	Total
	-0.733	0.902	0.000	1.162
CHELPG
AIM
ESP

<r²>	117.599
(<r²>)^1/2	10.844

All results from a given calculation for H2NCH2COOH (Glycine)

using model chemistry: HF/3-21G

States and conformations

All results from a given calculation for H₂NCH₂COOH (Glycine)