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	hartrees
Energy at 0K	-284.366575
Energy at 298.15K	-284.373338
Nuclear repulsion energy	176.960704

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3526	3532	21.49
2	A'	3333	3339	0.57
3	A'	2953	2958	19.88
4	A'	1749	1752	226.73
5	A'	1622	1625	11.20
6	A'	1389	1391	9.37
7	A'	1337	1339	10.79
8	A'	1263	1265	7.50
9	A'	1129	1131	67.92
10	A'	1081	1083	192.28
11	A'	922	924	145.26
12	A'	793	794	44.10
13	A'	608	609	8.00
14	A'	444	445	28.15
15	A'	249	250	8.50
16	A"	3394	3399	0.04
17	A"	2986	2991	12.01
18	A"	1347	1349	0.87
19	A"	1142	1144	0.64
20	A"	891	892	2.35
21	A"	654	656	77.88
22	A"	495	496	29.61
23	A"	227	227	38.48
24	A"	43	43	4.90

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.555	0.000
O2	1.191	0.832	0.000
O3	-0.991	1.506	0.000
C4	-0.582	-0.869	0.000
N5	0.406	-1.950	0.000
H6	-0.520	2.373	0.000
H7	-1.249	-0.962	0.884
H8	-1.249	-0.962	-0.884
H9	1.033	-1.809	0.809
H10	1.033	-1.809	-0.809

	C1	O2	O3	C4	N5	H6	H7	H8	H9	H10
C1		1.2227	1.3735	1.5382	2.5379	1.8912	2.1546	2.1546	2.7032	2.7032
O2	1.2227		2.2838	2.4565	2.8905	2.3029	3.1547	3.1547	2.7659	2.7659
O3	1.3735	2.2838		2.4100	3.7279	0.9872	2.6340	2.6340	3.9668	3.9668
C4	1.5382	2.4565	2.4100		1.4644	3.2429	1.1114	1.1114	2.0354	2.0354
N5	2.5379	2.8905	3.7279	1.4644		4.4216	2.1207	2.1207	1.0329	1.0329
H6	1.8912	2.3029	0.9872	3.2429	4.4216		3.5266	3.5266	4.5335	4.5335
H7	2.1546	3.1547	2.6340	1.1114	2.1207	3.5266		1.7675	2.4350	2.9645
H8	2.1546	3.1547	2.6340	1.1114	2.1207	3.5266	1.7675		2.9645	2.4350
H9	2.7032	2.7659	3.9668	2.0354	1.0329	4.5335	2.4350	2.9645		1.6174
H10	2.7032	2.7659	3.9668	2.0354	1.0329	4.5335	2.9645	2.4350	1.6174

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	105.301	C1	C4	N5	115.375
C1	C4	H7	107.729	C1	C4	H8	107.729
O2	C1	O3	123.105	O2	C1	C4	125.292
O3	C1	C4	111.603	C4	N5	H9	107.936
C4	N5	H10	107.936	N5	C4	H7	110.079
N5	C4	H8	110.079	H7	C4	H8	105.340
H9	N5	H10	103.068

All results from a given calculation for H₂NCH₂COOH (Glycine)

using model chemistry: BLYP/cc-pVDZ

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	0.069
2	O	-0.209
3	O	-0.142
4	C	0.053
5	N	-0.122
6	H	0.142
7	H	0.037
8	H	0.037
9	H	0.067
10	H	0.067

	x	y	z	Total
	-0.645	0.910	0.000	1.115
CHELPG
AIM
ESP

	x	y	z
x	5.771	-0.404	0.000
y	-0.404	6.298	0.000
z	0.000	0.000	3.979

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for H2NCH2COOH (Glycine)

using model chemistry: BLYP/cc-pVDZ

States and conformations

All results from a given calculation for H₂NCH₂COOH (Glycine)