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	hartrees
Energy at 0K	-280.511123
Energy at 298.15K	-280.517291
Nuclear repulsion energy	170.681315

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3456	3198	33.22
2	A	3453	3195	22.27
3	A	3323	3074	0.11
4	A	3273	3028	17.19
5	A	3211	2971	1.95
6	A	1811	1675	7.97
7	A	1776	1643	46.54
8	A	1578	1460	3.16
9	A	1462	1352	0.99
10	A	1402	1297	6.08
11	A	1351	1250	9.97
12	A	1217	1126	56.89
13	A	1196	1106	1.85
14	A	1102	1020	81.14
15	A	931	862	48.64
16	A	901	834	0.24
17	A	791	731	16.08
18	A	637	589	58.46
19	A	561	519	7.58
20	A	474	439	12.93
21	A	382	353	18.99
22	A	250	231	26.64
23	A	130	120	29.19
24	A	48	44	1.09

Atom	x (Å)	y (Å)	z (Å)
C1	-0.550	0.118	0.046
O2	-0.602	1.385	0.068
O3	-1.715	-0.726	-0.117
C4	0.769	-0.770	0.185
N5	2.055	0.023	-0.113
H6	-2.478	-0.009	-0.179
H7	0.831	-1.150	1.233
H8	0.709	-1.646	-0.500
H9	1.860	0.964	0.381
H10	1.918	0.324	-1.140

	C1	O2	O3	C4	N5	H6	H7	H8	H9	H10
C1		1.2677	1.4478	1.5959	2.6118	1.9447	2.2192	2.2355	2.5761	2.7464
O2	1.2677		2.3934	2.5559	2.9907	2.3500	3.1362	3.3506	2.5166	2.9888
O3	1.4478	2.3934		2.5025	3.8437	1.0484	2.9134	2.6211	3.9856	3.9177
C4	1.5959	2.5559	2.5025		1.5400	3.3540	1.1166	1.1139	2.0581	2.0671
N5	2.6118	2.9907	3.8437	1.5400		4.5332	2.1642	2.1789	1.0808	1.0791
H6	1.9447	2.3500	1.0484	3.3540	4.5332		3.7742	3.5971	4.4804	4.5120
H7	2.2192	3.1362	2.9134	1.1166	2.1642	3.7742		1.8063	2.5008	2.9974
H8	2.2355	3.3506	2.6211	1.1139	2.1789	3.5971	1.8063		2.9859	2.3987
H9	2.5761	2.5166	3.9856	2.0581	1.0808	4.4804	2.5008	2.9859		1.6514
H10	2.7464	2.9888	3.9177	2.0671	1.0791	4.5120	2.9974	2.3987	1.6514

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	101.144	C1	C4	N5	112.777
C1	C4	H7	108.508	C1	C4	H8	109.894
O2	C1	O3	123.484	O2	C1	C4	126.001
O3	C1	C4	110.515	C4	N5	H9	102.074
C4	N5	H10	102.809	N5	C4	H7	108.049
N5	C4	H8	109.328	H7	C4	H8	108.162
H9	N5	H10	99.737

All results from a given calculation for H₂NCH₂COOH (Glycine)

using model chemistry: BLYP/STO-3G

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	0.159
2	O	-0.206
3	O	-0.185
4	C	-0.091
5	N	-0.336
6	H	0.186
7	H	0.088
8	H	0.088
9	H	0.151
10	H	0.145

	x	y	z	Total
	-1.703	0.118	-0.450	1.765
CHELPG
AIM
ESP

	x	y	z
x	4.133	0.229	0.032
y	0.229	3.477	0.036
z	0.032	0.036	2.052

<r²>	125.093
(<r²>)^1/2	11.185

All results from a given calculation for H2NCH2COOH (Glycine)

using model chemistry: BLYP/STO-3G

States and conformations

All results from a given calculation for H₂NCH₂COOH (Glycine)