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	hartrees
Energy at 0K	-284.380048
Energy at 298.15K	-284.386824
HF Energy	-284.380048
Nuclear repulsion energy	178.343574

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3656	3604	31.14
2	A'	3426	3378	0.19
3	A'	2987	2945	21.63
4	A'	1770	1745	256.55
5	A'	1649	1626	15.66
6	A'	1426	1406	13.85
7	A'	1357	1338	9.78
8	A'	1280	1262	9.43
9	A'	1134	1118	51.04
10	A'	1083	1068	230.21
11	A'	911	898	152.07
12	A'	799	788	58.01
13	A'	619	611	6.13
14	A'	452	446	27.56
15	A'	258	255	8.71
16	A"	3498	3449	0.98
17	A"	3020	2978	9.97
18	A"	1365	1346	0.14
19	A"	1164	1148	0.89
20	A"	899	886	2.46
21	A"	648	639	82.35
22	A"	496	489	28.58
23	A"	215	212	41.13
24	A"	37	36	4.48

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.554	0.000
O2	1.174	0.846	0.000
O3	-0.999	1.483	0.000
C4	-0.564	-0.865	0.000
N5	0.419	-1.934	0.000
H6	-0.563	2.352	0.000
H7	-1.221	-0.961	0.873
H8	-1.221	-0.961	-0.873
H9	1.029	-1.828	0.806
H10	1.029	-1.828	-0.806

	C1	O2	O3	C4	N5	H6	H7	H8	H9	H10
C1		1.2098	1.3644	1.5275	2.5236	1.8843	2.1327	2.1327	2.7171	2.7171
O2	1.2098		2.2648	2.4391	2.8813	2.2993	3.1248	3.1248	2.7964	2.7964
O3	1.3644	2.2648		2.3885	3.7000	0.9725	2.6044	2.6044	3.9656	3.9656
C4	1.5275	2.4391	2.3885		1.4520	3.2177	1.0970	1.0970	2.0283	2.0283
N5	2.5236	2.8813	3.7000	1.4520		4.3978	2.0977	2.0977	1.0170	1.0170
H6	1.8843	2.2993	0.9725	3.2177	4.3978		3.4886	3.4886	4.5451	4.5451
H7	2.1327	3.1248	2.6044	1.0970	2.0977	3.4886		1.7458	2.4128	2.9389
H8	2.1327	3.1248	2.6044	1.0970	2.0977	3.4886	1.7458		2.9389	2.4128
H9	2.7171	2.7964	3.9656	2.0283	1.0170	4.5451	2.4128	2.9389		1.6126
H10	2.7171	2.7964	3.9656	2.0283	1.0170	4.5451	2.9389	2.4128	1.6126

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	104.988	C1	C4	N5	115.789
C1	C4	H7	107.044	C1	C4	H8	107.044
O2	C1	O3	123.779	O2	C1	C4	125.165
O3	C1	C4	111.056	C4	N5	H9	110.624
C4	N5	H10	110.624	N5	C4	H7	110.215
N5	C4	H8	110.215	H7	C4	H8	106.029
H9	N5	H10	106.658

All results from a given calculation for H₂NCH₂COOH (Glycine)

using model chemistry: B97D3/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	0.249
2	O	-0.292
3	O	-0.244
4	C	-0.109
5	N	-0.272
6	H	0.209
7	H	0.103
8	H	0.103
9	H	0.126
10	H	0.126

	x	y	z	Total
	-0.782	0.795	0.000	1.115
CHELPG
AIM
ESP

	x	y	z
x	6.325	-0.342	0.000
y	-0.342	6.909	0.000
z	0.000	0.000	4.530

<r²>	118.855
(<r²>)^1/2	10.902

All results from a given calculation for H2NCH2COOH (Glycine)

using model chemistry: B97D3/cc-pVTZ

States and conformations

All results from a given calculation for H₂NCH₂COOH (Glycine)