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	hartrees
Energy at 0K	-284.143516
Energy at 298.15K	-284.150466
HF Energy	-283.887432
Nuclear repulsion energy	178.828357

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3699	3511	50.13
2	A'	3506	3328	0.47
3	A'	3098	2940	14.94
4	A'	1843	1750	240.86
5	A'	1732	1644	19.83
6	A'	1508	1432	11.88
7	A'	1439	1365	18.95
8	A'	1340	1272	12.93
9	A'	1194	1133	145.13
10	A'	1156	1098	137.31
11	A'	979	929	181.22
12	A'	845	802	61.92
13	A'	639	607	9.62
14	A'	467	443	34.26
15	A'	262	248	9.62
16	A"	3588	3406	1.30
17	A"	3140	2980	8.92
18	A"	1418	1346	0.33
19	A"	1207	1146	0.89
20	A"	939	891	2.82
21	A"	682	647	112.11
22	A"	516	490	31.47
23	A"	243	231	54.50
24	A"	61	58	5.47

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.549	0.000
O2	1.184	0.819	0.000
O3	-0.973	1.493	0.000
C4	-0.582	-0.856	0.000
N5	0.398	-1.926	0.000
H6	-0.515	2.355	0.000
H7	-1.236	-0.950	0.873
H8	-1.236	-0.950	-0.873
H9	1.008	-1.815	0.807
H10	1.008	-1.815	-0.807

	C1	O2	O3	C4	N5	H6	H7	H8	H9	H10
C1		1.2139	1.3560	1.5212	2.5068	1.8777	2.1306	2.1306	2.6936	2.6936
O2	1.2139		2.2601	2.4338	2.8547	2.2906	3.1219	3.1219	2.7597	2.7597
O3	1.3560	2.2601		2.3816	3.6838	0.9758	2.6084	2.6084	3.9395	3.9395
C4	1.5212	2.4338	2.3816		1.4509	3.2116	1.0947	1.0947	2.0246	2.0246
N5	2.5068	2.8547	3.6838	1.4509		4.3770	2.0934	2.0934	1.0175	1.0175
H6	1.8777	2.2906	0.9758	3.2116	4.3770		3.4939	3.4939	4.5119	4.5119
H7	2.1306	3.1219	2.6084	1.0947	2.0934	3.4939		1.7463	2.4054	2.9331
H8	2.1306	3.1219	2.6084	1.0947	2.0934	3.4939	1.7463		2.9331	2.4054
H9	2.6936	2.7597	3.9395	2.0246	1.0175	4.5119	2.4054	2.9331		1.6134
H10	2.6936	2.7597	3.9395	2.0246	1.0175	4.5119	2.9331	2.4054	1.6134

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	106.123	C1	C4	N5	114.993
C1	C4	H7	107.957	C1	C4	H8	107.957
O2	C1	O3	123.062	O2	C1	C4	125.326
O3	C1	C4	111.612	C4	N5	H9	108.944
C4	N5	H10	108.944	N5	C4	H7	109.853
N5	C4	H8	109.853	H7	C4	H8	105.807
H9	N5	H10	104.896

All results from a given calculation for H₂NCH₂COOH (Glycine)

using model chemistry: B2PLYP/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	0.622
2	O	-0.509
3	O	-0.624
4	C	-0.232
5	N	-0.738
6	H	0.437
7	H	0.198
8	H	0.198
9	H	0.325
10	H	0.325

	x	y	z
x	5.391	-0.333	0.000
y	-0.333	5.420	0.000
z	0.000	0.000	3.697

<r²>	117.990
(<r²>)^1/2	10.862

All results from a given calculation for H2NCH2COOH (Glycine)

using model chemistry: B2PLYP/6-31G*

States and conformations

All results from a given calculation for H₂NCH₂COOH (Glycine)