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	hartrees
Energy at 0K	-284.555367
Energy at 298.15K	-284.562228
HF Energy	-284.555367
Nuclear repulsion energy	179.054153

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3734	3612	58.20
2	A'	3508	3394	2.55
3	A'	3040	2941	17.76
4	A'	1811	1752	297.63
5	A'	1675	1621	19.45
6	A'	1457	1410	16.03
7	A'	1396	1350	12.37
8	A'	1307	1264	13.91
9	A'	1158	1121	85.36
10	A'	1120	1083	222.76
11	A'	902	873	106.15
12	A'	814	788	95.42
13	A'	635	615	5.04
14	A'	463	448	29.05
15	A'	258	249	10.15
16	A"	3578	3461	6.78
17	A"	3069	2970	5.92
18	A"	1384	1339	0.02
19	A"	1188	1149	1.22
20	A"	917	887	3.19
21	A"	651	630	88.39
22	A"	510	493	30.12
23	A"	211	204	42.69
24	A"	56	54	4.78

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.552	0.000
O2	1.179	0.834	0.000
O3	-0.987	1.479	0.000
C4	-0.564	-0.850	0.000
N5	0.403	-1.920	0.000
H6	-0.543	2.337	0.000
H7	-1.217	-0.930	0.874
H8	-1.217	-0.930	-0.874
H9	1.003	-1.879	0.813
H10	1.003	-1.879	-0.813

	C1	O2	O3	C4	N5	H6	H7	H8	H9	H10
C1		1.2120	1.3539	1.5114	2.5049	1.8657	2.1079	2.1079	2.7524	2.7524
O2	1.2120		2.2598	2.4238	2.8613	2.2853	3.1013	3.1013	2.8376	2.8376
O3	1.3539	2.2598		2.3669	3.6723	0.9666	2.5731	2.5731	3.9867	3.9867
C4	1.5114	2.4238	2.3669		1.4427	3.1873	1.0938	1.0938	2.0433	2.0433
N5	2.5049	2.8613	3.6723	1.4427		4.3612	2.0902	2.0902	1.0112	1.0112
H6	1.8657	2.2853	0.9666	3.1873	4.3612		3.4491	3.4491	4.5633	4.5633
H7	2.1079	3.1013	2.5731	1.0938	2.0902	3.4491		1.7476	2.4147	2.9451
H8	2.1079	3.1013	2.5731	1.0938	2.0902	3.4491	1.7476		2.9451	2.4147
H9	2.7524	2.8376	3.9867	2.0433	1.0112	4.5633	2.4147	2.9451		1.6268
H10	2.7524	2.8376	3.9867	2.0433	1.0112	4.5633	2.9451	2.4147	1.6268

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	105.822	C1	C4	N5	115.957
C1	C4	H7	106.923	C1	C4	H8	106.923
O2	C1	O3	123.354	O2	C1	C4	125.375
O3	C1	C4	111.271	C4	N5	H9	111.539
C4	N5	H10	111.539	N5	C4	H7	110.232
N5	C4	H8	110.232	H7	C4	H8	106.051
H9	N5	H10	107.099

All results from a given calculation for H₂NCH₂COOH (Glycine)

using model chemistry: B3LYP/aug-cc-pVTZ

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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All results from a given calculation for H2NCH2COOH (Glycine)

using model chemistry: B3LYP/aug-cc-pVTZ

States and conformations

All results from a given calculation for H₂NCH₂COOH (Glycine)