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	hartrees
Energy at 0K	-56.093063
Energy at 298.15K	-56.099790
Nuclear repulsion energy	98.240796

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3614	3521	19.31
2	A'	3504	3415	0.74
3	A'	3029	2952	20.04
4	A'	1718	1674	40.67
5	A'	1687	1644	229.77
6	A'	1479	1441	30.14
7	A'	1388	1353	6.28
8	A'	1282	1249	20.54
9	A'	1151	1122	0.80
10	A'	1066	1039	292.21
11	A'	830	809	34.32
12	A'	702	684	310.22
13	A'	601	586	2.60
14	A'	439	428	46.11
15	A'	241	235	15.48
16	A"	3623	3530	0.97
17	A"	3079	3001	13.65
18	A"	1368	1333	0.02
19	A"	1187	1157	0.05
20	A"	908	885	4.03
21	A"	632	616	149.11
22	A"	499	487	41.33
23	A"	220	214	52.73
24	A"	55	54	5.09

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.561	0.000
O2	1.202	0.894	0.000
O3	-1.034	1.506	0.000
C4	-0.558	-0.877	0.000
N5	0.452	-1.935	0.000
H6	-0.669	2.421	0.000
H7	-1.211	-0.977	0.876
H8	-1.211	-0.977	-0.876
H9	1.026	-1.964	0.838
H10	1.026	-1.964	-0.838

	C1	O2	O3	C4	N5	H6	H7	H8	H9	H10
C1		1.2468	1.4004	1.5426	2.5363	1.9760	2.1445	2.1445	2.8521	2.8521
O2	1.2468		2.3177	2.4961	2.9258	2.4144	3.1760	3.1760	2.9837	2.9837
O3	1.4004	2.3177		2.4303	3.7477	0.9847	2.6386	2.6386	4.1218	4.1218
C4	1.5426	2.4961	2.4303		1.4621	3.2996	1.0974	1.0974	2.0959	2.0959
N5	2.5363	2.9258	3.7477	1.4621		4.4970	2.1100	2.1100	1.0164	1.0164
H6	1.9760	2.4144	0.9847	3.2996	4.4970		3.5500	3.5500	4.7752	4.7752
H7	2.1445	3.1760	2.6386	1.0974	2.1100	3.5500		1.7516	2.4460	2.9866
H8	2.1445	3.1760	2.6386	1.0974	2.1100	3.5500	1.7516		2.9866	2.4460
H9	2.8521	2.9837	4.1218	2.0959	1.0164	4.7752	2.4460	2.9866		1.6768
H10	2.8521	2.9837	4.1218	2.0959	1.0164	4.7752	2.9866	2.4460	1.6768

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	110.671	C1	C4	N5	115.128
C1	C4	H7	107.446	C1	C4	H8	107.446
O2	C1	O3	122.104	O2	C1	C4	126.654
O3	C1	C4	111.242	C4	N5	H9	114.280
C4	N5	H10	114.280	N5	C4	H7	110.236
N5	C4	H8	110.236	H7	C4	H8	105.896
H9	N5	H10	111.154

All results from a given calculation for H₂NCH₂COOH (Glycine)

using model chemistry: B3LYP/CEP-121G

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	0.059
2	O	-0.155
3	O	-0.366
4	C	-0.337
5	N	-0.514
6	H	0.375
7	H	0.194
8	H	0.194
9	H	0.275
10	H	0.275

	x	y	z	Total
	-0.696	0.542	0.000	0.882
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-121G

States and conformations

All results from a given calculation for H₂NCH₂COOH (Glycine)