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	hartrees
Energy at 0K	-284.442892
Energy at 298.15K	-284.449654
Nuclear repulsion energy	177.137456

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3592	3578	23.59
2	A'	3378	3365	0.07
3	A'	2962	2951	19.30
4	A'	1745	1738	244.22
5	A'	1639	1633	17.53
6	A'	1422	1416	13.21
7	A'	1339	1334	7.31
8	A'	1270	1265	4.88
9	A'	1117	1112	63.80
10	A'	1065	1061	214.88
11	A'	896	892	165.09
12	A'	785	782	55.99
13	A'	612	609	7.30
14	A'	443	442	28.96
15	A'	249	248	9.26
16	A"	3443	3429	0.08
17	A"	2991	2979	11.72
18	A"	1352	1347	0.64
19	A"	1153	1148	0.73
20	A"	895	891	2.30
21	A"	651	649	88.03
22	A"	493	491	32.27
23	A"	225	224	44.09
24	A"	48	48	4.84

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.559	0.000
O2	1.180	0.852	0.000
O3	-1.006	1.495	0.000
C4	-0.568	-0.872	0.000
N5	0.423	-1.949	0.000
H6	-0.564	2.369	0.000
H7	-1.227	-0.969	0.877
H8	-1.227	-0.969	-0.877
H9	1.037	-1.840	0.812
H10	1.037	-1.840	-0.812

	C1	O2	O3	C4	N5	H6	H7	H8	H9	H10
C1		1.2161	1.3737	1.5394	2.5432	1.8960	2.1474	2.1474	2.7365	2.7365
O2	1.2161		2.2788	2.4552	2.9013	2.3118	3.1437	3.1437	2.8147	2.8147
O3	1.3737	2.2788		2.4062	3.7280	0.9801	2.6247	2.6247	3.9938	3.9938
C4	1.5394	2.4552	2.4062		1.4639	3.2408	1.1013	1.1013	2.0433	2.0433
N5	2.5432	2.9013	3.7280	1.4639		4.4294	2.1099	2.1099	1.0244	1.0244
H6	1.8960	2.3118	0.9801	3.2408	4.4294		3.5151	3.5151	4.5756	4.5756
H7	2.1474	3.1437	2.6247	1.1013	2.1099	3.5151		1.7539	2.4270	2.9563
H8	2.1474	3.1437	2.6247	1.1013	2.1099	3.5151	1.7539		2.9563	2.4270
H9	2.7365	2.8147	3.9938	2.0433	1.0244	4.5756	2.4270	2.9563		1.6245
H10	2.7365	2.8147	3.9938	2.0433	1.0244	4.5756	2.9563	2.4270	1.6245

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	106.109	C1	C4	N5	115.716
C1	C4	H7	107.665	C1	C4	H8	107.665
O2	C1	O3	123.144	O2	C1	C4	125.599
O3	C1	C4	111.258	C4	N5	H9	109.124
C4	N5	H10	109.124	N5	C4	H7	109.866
N5	C4	H8	109.866	H7	C4	H8	105.553
H9	N5	H10	104.911

All results from a given calculation for H₂NCH₂COOH (Glycine)

using model chemistry: BLYP/6-311G**

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	0.247
2	O	-0.299
3	O	-0.296
4	C	-0.143
5	N	-0.402
6	H	0.239
7	H	0.141
8	H	0.141
9	H	0.186
10	H	0.186

	x	y	z	Total
	-0.652	0.912	0.000	1.121
CHELPG
AIM
ESP

	x	y	z
x	5.966	-0.426	0.000
y	-0.426	6.534	0.000
z	0.000	0.000	4.157

<r²>	120.471
(<r²>)^1/2	10.976

All results from a given calculation for H2NCH2COOH (Glycine)

using model chemistry: BLYP/6-311G**

States and conformations

All results from a given calculation for H₂NCH₂COOH (Glycine)