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	hartrees
Energy at 0K	-56.015536
Energy at 298.15K	-56.022177
Nuclear repulsion energy	98.485058

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3709	3552	33.73
2	A'	3620	3466	3.97
3	A'	3101	2969	21.07
4	A'	1734	1660	253.37
5	A'	1696	1624	39.46
6	A'	1463	1401	32.41
7	A'	1395	1336	18.43
8	A'	1292	1237	24.19
9	A'	1187	1137	3.32
10	A'	1092	1046	288.13
11	A'	854	817	16.57
12	A'	647	619	248.08
13	A'	588	563	127.61
14	A'	444	425	55.58
15	A'	235	225	19.77
16	A"	3750	3590	7.97
17	A"	3154	3020	13.94
18	A"	1346	1289	0.03
19	A"	1168	1118	0.24
20	A"	904	865	9.51
21	A"	644	616	165.55
22	A"	502	481	44.24
23	A"	196	188	52.60
24	A"	62	60	7.51

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.556	0.000
O2	1.200	0.882	0.000
O3	-1.024	1.495	0.000
C4	-0.563	-0.880	0.000
N5	0.441	-1.930	0.000
H6	-0.668	2.412	0.000
H7	-1.221	-0.974	0.878
H8	-1.221	-0.974	-0.878
H9	0.996	-2.011	0.846
H10	0.996	-2.011	-0.846

	C1	O2	O3	C4	N5	H6	H7	H8	H9	H10
C1		1.2437	1.3894	1.5416	2.5241	1.9727	2.1457	2.1457	2.8798	2.8798
O2	1.2437		2.3071	2.4920	2.9122	2.4147	3.1750	3.1750	3.0203	3.0203
O3	1.3894	2.3071		2.4186	3.7244	0.9841	2.6279	2.6279	4.1332	4.1332
C4	1.5416	2.4920	2.4186		1.4524	3.2932	1.1018	1.1018	2.1036	2.1036
N5	2.5241	2.9122	3.7244	1.4524		4.4809	2.1087	2.1087	1.0152	1.0152
H6	1.9727	2.4147	0.9841	3.2932	4.4809		3.5418	3.5418	4.8003	4.8003
H7	2.1457	3.1750	2.6279	1.1018	2.1087	3.5418		1.7562	2.4481	2.9940
H8	2.1457	3.1750	2.6279	1.1018	2.1087	3.5418	1.7562		2.9940	2.4481
H9	2.8798	3.0203	4.1332	2.1036	1.0152	4.8003	2.4481	2.9940		1.6917
H10	2.8798	3.0203	4.1332	2.1036	1.0152	4.8003	2.9940	2.4481	1.6917

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	111.293	C1	C4	N5	114.895
C1	C4	H7	107.356	C1	C4	H8	107.356
O2	C1	O3	122.281	O2	C1	C4	126.609
O3	C1	C4	111.109	C4	N5	H9	115.827
C4	N5	H10	115.827	N5	C4	H7	110.541
N5	C4	H8	110.541	H7	C4	H8	105.677
H9	N5	H10	112.848

All results from a given calculation for H₂NCH₂COOH (Glycine)

using model chemistry: B1B95/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	-0.203
2	O	-0.098
3	O	-0.324
4	C	-0.182
5	N	-0.479
6	H	0.389
7	H	0.178
8	H	0.178
9	H	0.270
10	H	0.270

	x	y	z	Total
	-0.738	0.600	0.000	0.951
CHELPG
AIM
ESP

	x	y	z
x	5.441	-0.343	0.000
y	-0.343	5.445	0.000
z	0.000	0.000	3.624

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for H2NCH2COOH (Glycine)

using model chemistry: B1B95/CEP-31G

States and conformations

All results from a given calculation for H₂NCH₂COOH (Glycine)