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	hartrees
Energy at 0K	-284.423456
Energy at 298.15K	-284.430369
Nuclear repulsion energy	178.710884

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3678	3524	38.07
2	A'	3474	3328	0.25
3	A'	3060	2931	16.94
4	A'	1848	1771	258.00
5	A'	1715	1643	19.72
6	A'	1486	1423	11.89
7	A'	1420	1360	17.81
8	A'	1330	1274	11.42
9	A'	1182	1132	165.84
10	A'	1145	1097	116.46
11	A'	961	921	176.30
12	A'	833	798	64.60
13	A'	637	610	9.28
14	A'	463	443	32.65
15	A'	259	248	9.79
16	A"	3550	3401	0.55
17	A"	3097	2967	10.17
18	A"	1404	1345	0.32
19	A"	1195	1145	1.00
20	A"	930	891	3.43
21	A"	678	649	105.81
22	A"	512	491	32.35
23	A"	235	225	52.01
24	A"	63	60	6.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.552	0.000
O2	1.181	0.821	0.000
O3	-0.973	1.496	0.000
C4	-0.581	-0.859	0.000
N5	0.399	-1.930	0.000
H6	-0.517	2.359	0.000
H7	-1.237	-0.954	0.874
H8	-1.237	-0.954	-0.874
H9	1.011	-1.819	0.807
H10	1.011	-1.819	-0.807

	C1	O2	O3	C4	N5	H6	H7	H8	H9	H10
C1		1.2111	1.3554	1.5254	2.5132	1.8799	2.1358	2.1358	2.7008	2.7008
O2	1.2111		2.2566	2.4343	2.8597	2.2909	3.1244	3.1244	2.7661	2.7661
O3	1.3554	2.2566		2.3867	3.6897	0.9761	2.6142	2.6142	3.9463	3.9463
C4	1.5254	2.4343	2.3867		1.4516	3.2184	1.0971	1.0971	2.0269	2.0269
N5	2.5132	2.8597	3.6897	1.4516		4.3854	2.0961	2.0961	1.0191	1.0191
H6	1.8799	2.2909	0.9761	3.2184	4.3854		3.5011	3.5011	4.5214	4.5214
H7	2.1358	3.1244	2.6142	1.0971	2.0961	3.5011		1.7480	2.4099	2.9377
H8	2.1358	3.1244	2.6142	1.0971	2.0961	3.5011	1.7480		2.9377	2.4099
H9	2.7008	2.7661	3.9463	2.0269	1.0191	4.5214	2.4099	2.9377		1.6149
H10	2.7008	2.7661	3.9463	2.0269	1.0191	4.5214	2.9377	2.4099	1.6149

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	106.332	C1	C4	N5	115.147
C1	C4	H7	107.942	C1	C4	H8	107.942
O2	C1	O3	123.006	O2	C1	C4	125.242
O3	C1	C4	111.752	C4	N5	H9	108.984
C4	N5	H10	108.984	N5	C4	H7	109.870
N5	C4	H8	109.870	H7	C4	H8	105.619
H9	N5	H10	104.803

All results from a given calculation for H₂NCH₂COOH (Glycine)

using model chemistry: B3LYPultrafine/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	0.541
2	O	-0.460
3	O	-0.559
4	C	-0.232
5	N	-0.684
6	H	0.410
7	H	0.184
8	H	0.184
9	H	0.307
10	H	0.307

	x	y	z	Total
	-0.644	1.085	0.000	1.261
CHELPG
AIM
ESP

	x	y	z
x	5.401	-0.338	0.000
y	-0.338	5.557	0.000
z	0.000	0.000	3.732

<r²>	118.088
(<r²>)^1/2	10.867

All results from a given calculation for H2NCH2COOH (Glycine)

using model chemistry: B3LYPultrafine/6-31G*

States and conformations

All results from a given calculation for H₂NCH₂COOH (Glycine)