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	hartrees
Energy at 0K	-284.472976
Energy at 298.15K	-284.479725
Nuclear repulsion energy	177.290995

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3580	3569	28.52
2	A'	3382	3372	0.18
3	A'	2964	2955	18.44
4	A'	1737	1731	243.74
5	A'	1636	1631	15.47
6	A'	1421	1417	13.88
7	A'	1340	1336	5.62
8	A'	1268	1264	7.25
9	A'	1112	1109	53.96
10	A'	1059	1056	221.17
11	A'	891	888	156.08
12	A'	784	781	56.20
13	A'	610	608	6.03
14	A'	444	442	26.83
15	A'	251	250	8.90
16	A"	3448	3437	0.83
17	A"	2990	2981	8.54
18	A"	1352	1348	0.14
19	A"	1155	1152	0.80
20	A"	892	889	2.24
21	A"	644	642	81.65
22	A"	494	493	28.19
23	A"	214	213	40.25
24	A"	48	48	4.30

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.558	0.000
O2	1.177	0.859	0.000
O3	-1.010	1.488	0.000
C4	-0.562	-0.871	0.000
N5	0.425	-1.948	0.000
H6	-0.576	2.367	0.000
H7	-1.220	-0.969	0.875
H8	-1.220	-0.969	-0.875
H9	1.038	-1.850	0.811
H10	1.038	-1.850	-0.811

	C1	O2	O3	C4	N5	H6	H7	H8	H9	H10
C1		1.2153	1.3735	1.5353	2.5417	1.8983	2.1411	2.1411	2.7447	2.7447
O2	1.2153		2.2765	2.4533	2.9060	2.3128	3.1389	3.1389	2.8311	2.8311
O3	1.3735	2.2765		2.4012	3.7240	0.9798	2.6167	2.6167	3.9998	3.9998
C4	1.5353	2.4533	2.4012		1.4613	3.2374	1.0988	1.0988	2.0443	2.0443
N5	2.5417	2.9060	3.7240	1.4613		4.4293	2.1047	2.1047	1.0218	1.0218
H6	1.8983	2.3128	0.9798	3.2374	4.4293		3.5079	3.5079	4.5874	4.5874
H7	2.1411	3.1389	2.6167	1.0988	2.1047	3.5079		1.7501	2.4246	2.9527
H8	2.1411	3.1389	2.6167	1.0988	2.1047	3.5079	1.7501		2.9527	2.4246
H9	2.7447	2.8311	3.9998	2.0443	1.0218	4.5874	2.4246	2.9527		1.6228
H10	2.7447	2.8311	3.9998	2.0443	1.0218	4.5874	2.9527	2.4246	1.6228

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	106.344	C1	C4	N5	116.006
C1	C4	H7	107.588	C1	C4	H8	107.588
O2	C1	O3	123.017	O2	C1	C4	125.827
O3	C1	C4	111.156	C4	N5	H9	109.554
C4	N5	H10	109.554	N5	C4	H7	109.780
N5	C4	H8	109.780	H7	C4	H8	105.566
H9	N5	H10	105.142

All results from a given calculation for H₂NCH₂COOH (Glycine)

using model chemistry: BLYP/cc-pVTZ

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	0.254
2	O	-0.284
3	O	-0.250
4	C	-0.132
5	N	-0.275
6	H	0.206
7	H	0.112
8	H	0.112
9	H	0.128
10	H	0.128

	x	y	z	Total
	-0.761	0.744	0.000	1.064
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for H2NCH2COOH (Glycine)

using model chemistry: BLYP/cc-pVTZ

States and conformations

All results from a given calculation for H₂NCH₂COOH (Glycine)