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	hartrees
Energy at 0K	-284.351095
Energy at 298.15K	-284.358053
Nuclear repulsion energy	179.620911

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3749	3555	50.88
2	A'	3529	3347	0.98
3	A'	3089	2929	15.88
4	A'	1885	1787	273.98
5	A'	1724	1635	22.82
6	A'	1487	1410	14.37
7	A'	1442	1368	32.94
8	A'	1340	1271	11.01
9	A'	1205	1142	158.56
10	A'	1173	1113	117.54
11	A'	969	919	168.77
12	A'	850	806	80.34
13	A'	646	612	9.09
14	A'	470	445	34.80
15	A'	260	247	10.08
16	A"	3612	3425	2.38
17	A"	3131	2970	7.81
18	A"	1411	1338	0.30
19	A"	1200	1138	1.12
20	A"	935	886	4.48
21	A"	687	651	110.03
22	A"	517	490	33.19
23	A"	240	228	55.09
24	A"	64	61	5.92

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.549	0.000
O2	1.178	0.812	0.000
O3	-0.963	1.490	0.000
C4	-0.581	-0.853	0.000
N5	0.392	-1.918	0.000
H6	-0.506	2.347	0.000
H7	-1.238	-0.945	0.872
H8	-1.238	-0.945	-0.872
H9	1.001	-1.812	0.806
H10	1.001	-1.812	-0.806

	C1	O2	O3	C4	N5	H6	H7	H8	H9	H10
C1		1.2072	1.3463	1.5174	2.4974	1.8680	2.1272	2.1272	2.6885	2.6885
O2	1.2072		2.2459	2.4221	2.8405	2.2787	3.1123	3.1123	2.7512	2.7512
O3	1.3463	2.2459		2.3735	3.6668	0.9719	2.6005	2.6005	3.9257	3.9257
C4	1.5174	2.4221	2.3735		1.4423	3.2010	1.0957	1.0957	2.0182	2.0182
N5	2.4974	2.8405	3.6668	1.4423		4.3582	2.0891	2.0891	1.0157	1.0157
H6	1.8680	2.2787	0.9719	3.2010	4.3582		3.4835	3.4835	4.4970	4.4970
H7	2.1272	3.1123	2.6005	1.0957	2.0891	3.4835		1.7437	2.4024	2.9296
H8	2.1272	3.1123	2.6005	1.0957	2.0891	3.4835	1.7437		2.9296	2.4024
H9	2.6885	2.7512	3.9257	2.0182	1.0157	4.4970	2.4024	2.9296		1.6121
H10	2.6885	2.7512	3.9257	2.0182	1.0157	4.4970	2.9296	2.4024	1.6121

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	106.259	C1	C4	N5	115.062
C1	C4	H7	107.891	C1	C4	H8	107.891
O2	C1	O3	123.084	O2	C1	C4	125.099
O3	C1	C4	111.817	C4	N5	H9	109.154
C4	N5	H10	109.154	N5	C4	H7	110.045
N5	C4	H8	110.045	H7	C4	H8	105.438
H9	N5	H10	105.048

All results from a given calculation for H₂NCH₂COOH (Glycine)

using model chemistry: mPW1PW91/6-31G*

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	0.558
2	O	-0.471
3	O	-0.578
4	C	-0.297
5	N	-0.724
6	H	0.427
7	H	0.214
8	H	0.214
9	H	0.329
10	H	0.329

	x	y	z	Total
	-0.662	1.122	0.000	1.303
CHELPG
AIM
ESP

<r²>	116.896
(<r²>)^1/2	10.812

All results from a given calculation for H2NCH2COOH (Glycine)

using model chemistry: mPW1PW91/6-31G*

States and conformations

All results from a given calculation for H₂NCH₂COOH (Glycine)