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	hartrees
Energy at 0K	-284.423454
Energy at 298.15K	-284.430364
Nuclear repulsion energy	178.703724

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3680	3534	38.05
2	A'	3473	3335	0.24
3	A'	3060	2939	16.99
4	A'	1849	1775	257.93
5	A'	1714	1646	19.79
6	A'	1485	1426	11.94
7	A'	1420	1364	17.76
8	A'	1330	1277	11.34
9	A'	1182	1135	165.13
10	A'	1146	1100	117.38
11	A'	961	922	176.10
12	A'	833	800	65.11
13	A'	637	612	9.19
14	A'	463	445	32.54
15	A'	259	249	9.79
16	A"	3550	3409	0.55
17	A"	3097	2974	10.19
18	A"	1404	1348	0.32
19	A"	1195	1147	1.02
20	A"	930	893	3.42
21	A"	678	651	106.06
22	A"	512	492	32.12
23	A"	240	230	52.42
24	A"	57	55	5.49

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.552	0.000
O2	1.180	0.822	0.000
O3	-0.973	1.495	0.000
C4	-0.580	-0.859	0.000
N5	0.399	-1.930	0.000
H6	-0.519	2.359	0.000
H7	-1.237	-0.954	0.874
H8	-1.237	-0.954	-0.874
H9	1.011	-1.820	0.808
H10	1.011	-1.820	-0.808

	C1	O2	O3	C4	N5	H6	H7	H8	H9	H10
C1		1.2111	1.3554	1.5255	2.5136	1.8799	2.1357	2.1357	2.7019	2.7019
O2	1.2111		2.2565	2.4346	2.8609	2.2908	3.1245	3.1245	2.7682	2.7682
O3	1.3554	2.2565		2.3865	3.6897	0.9761	2.6136	2.6136	3.9472	3.9472
C4	1.5255	2.4346	2.3865		1.4515	3.2182	1.0971	1.0971	2.0271	2.0271
N5	2.5136	2.8609	3.6897	1.4515		4.3857	2.0960	2.0960	1.0191	1.0191
H6	1.8799	2.2908	0.9761	3.2182	4.3857		3.5006	3.5006	4.5227	4.5227
H7	2.1357	3.1245	2.6136	1.0971	2.0960	3.5006		1.7479	2.4100	2.9379
H8	2.1357	3.1245	2.6136	1.0971	2.0960	3.5006	1.7479		2.9379	2.4100
H9	2.7019	2.7682	3.9472	2.0271	1.0191	4.5227	2.4100	2.9379		1.6151
H10	2.7019	2.7682	3.9472	2.0271	1.0191	4.5227	2.9379	2.4100	1.6151

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	106.334	C1	C4	N5	115.180
C1	C4	H7	107.927	C1	C4	H8	107.927
O2	C1	O3	122.995	O2	C1	C4	125.272
O3	C1	C4	111.733	C4	N5	H9	109.014
C4	N5	H10	109.014	N5	C4	H7	109.870
N5	C4	H8	109.870	H7	C4	H8	105.610
H9	N5	H10	104.821

All results from a given calculation for H₂NCH₂COOH (Glycine)

using model chemistry: B3LYP/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	0.308
10	H	0.308

	x	y	z	Total
	-0.643	1.080	0.000	1.257
CHELPG
AIM
ESP

<r²>	118.107
(<r²>)^1/2	10.868

All results from a given calculation for H2NCH2COOH (Glycine)

using model chemistry: B3LYP/6-31G*

States and conformations

All results from a given calculation for H₂NCH₂COOH (Glycine)