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	hartrees
Energy at 0K	-56.176160
Energy at 298.15K	-56.182984
Nuclear repulsion energy	99.307369

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3728	3601	42.74
2	A'	3484	3365	0.12
3	A'	3070	2964	21.36
4	A'	1818	1755	301.41
5	A'	1690	1632	18.03
6	A'	1456	1406	14.23
7	A'	1398	1350	17.74
8	A'	1304	1259	6.43
9	A'	1163	1123	191.26
10	A'	1124	1085	110.50
11	A'	948	916	172.53
12	A'	823	794	49.02
13	A'	623	601	8.59
14	A'	452	436	32.21
15	A'	251	242	9.20
16	A"	3565	3443	0.95
17	A"	3111	3004	16.10
18	A"	1378	1331	0.61
19	A"	1174	1134	1.04
20	A"	907	876	3.04
21	A"	650	627	109.45
22	A"	503	486	38.83
23	A"	232	224	57.96
24	A"	57	56	4.65

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.562	0.000
O2	1.189	0.853	0.000
O3	-0.994	1.506	0.000
C4	-0.580	-0.870	0.000
N5	0.420	-1.944	0.000
H6	-0.544	2.377	0.000
H7	-1.237	-0.964	0.883
H8	-1.237	-0.964	-0.883
H9	1.032	-1.825	0.814
H10	1.032	-1.825	-0.814

	C1	O2	O3	C4	N5	H6	H7	H8	H9	H10
C1		1.2238	1.3702	1.5452	2.5414	1.8941	2.1536	2.1536	2.7249	2.7249
O2	1.2238		2.2777	2.4695	2.9011	2.3068	3.1566	3.1566	2.8034	2.8034
O3	1.3702	2.2777		2.4115	3.7284	0.9802	2.6342	2.6342	3.9823	3.9823
C4	1.5452	2.4695	2.4115		1.4678	3.2468	1.1040	1.1040	2.0428	2.0428
N5	2.5414	2.9011	3.7284	1.4678		4.4270	2.1175	2.1175	1.0251	1.0251
H6	1.8941	2.3068	0.9802	3.2468	4.4270		3.5242	3.5242	4.5604	4.5604
H7	2.1536	3.1566	2.6342	1.1040	2.1175	3.5242		1.7651	2.4274	2.9605
H8	2.1536	3.1566	2.6342	1.1040	2.1175	3.5242	1.7651		2.9605	2.4274
H9	2.7249	2.8034	3.9823	2.0428	1.0251	4.5604	2.4274	2.9605		1.6273
H10	2.7249	2.8034	3.9823	2.0428	1.0251	4.5604	2.9605	2.4274	1.6273

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	106.200	C1	C4	N5	114.993
C1	C4	H7	107.600	C1	C4	H8	107.600
O2	C1	O3	122.716	O2	C1	C4	125.808
O3	C1	C4	111.475	C4	N5	H9	108.760
C4	N5	H10	108.760	N5	C4	H7	110.044
N5	C4	H8	110.044	H7	C4	H8	106.152
H9	N5	H10	105.072

All results from a given calculation for H₂NCH₂COOH (Glycine)

using model chemistry: B3LYP/CEP-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	-0.185
2	O	-0.119
3	O	-0.317
4	C	-0.188
5	N	-0.480
6	H	0.412
7	H	0.172
8	H	0.172
9	H	0.266
10	H	0.266

	x	y	z	Total
	-0.737	1.047	0.000	1.281
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for H2NCH2COOH (Glycine)

using model chemistry: B3LYP/CEP-31G*

States and conformations

All results from a given calculation for H₂NCH₂COOH (Glycine)