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	hartrees
Energy at 0K	-282.764817
Energy at 298.15K	-282.771668
HF Energy	-282.764817
Nuclear repulsion energy	177.929360

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3605	3417	23.77
2	A'	3509	3325	1.06
3	A'	3113	2951	9.57
4	A'	1833	1737	187.54
5	A'	1750	1659	25.25
6	A'	1506	1428	27.12
7	A'	1420	1346	34.19
8	A'	1356	1285	1.05
9	A'	1160	1099	28.99
10	A'	1124	1066	233.73
11	A'	855	810	17.96
12	A'	734	696	322.62
13	A'	638	605	1.44
14	A'	466	442	38.47
15	A'	240	228	14.46
16	A"	3601	3413	3.00
17	A"	3157	2992	4.29
18	A"	1401	1328	0.30
19	A"	1225	1161	0.73
20	A"	935	886	6.72
21	A"	674	639	137.52
22	A"	518	491	49.16
23	A"	232	220	58.74
24	A"	65	62	8.57

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.545	0.000
O2	1.198	0.820	0.000
O3	-1.002	1.477	0.000
C4	-0.582	-0.847	0.000
N5	0.422	-1.900	0.000
H6	-0.587	2.370	0.000
H7	-1.233	-0.932	0.877
H8	-1.233	-0.932	-0.877
H9	1.013	-1.884	0.832
H10	1.013	-1.884	-0.832

	C1	O2	O3	C4	N5	H6	H7	H8	H9	H10
C1		1.2287	1.3683	1.5092	2.4811	1.9176	2.1146	2.1146	2.7601	2.7601
O2	1.2287		2.2955	2.4388	2.8283	2.3642	3.1221	3.1221	2.8348	2.8348
O3	1.3683	2.2955		2.3619	3.6648	0.9851	2.5740	2.5740	4.0059	4.0059
C4	1.5092	2.4388	2.3619		1.4548	3.2178	1.0954	1.0954	2.0765	2.0765
N5	2.4811	2.8283	3.6648	1.4548		4.3880	2.1085	2.1085	1.0210	1.0210
H6	1.9176	2.3642	0.9851	3.2178	4.3880		3.4775	3.4775	4.6208	4.6208
H7	2.1146	3.1221	2.5740	1.0954	2.1085	3.4775		1.7537	2.4401	2.9788
H8	2.1146	3.1221	2.5740	1.0954	2.1085	3.4775	1.7537		2.9788	2.4401
H9	2.7601	2.8348	4.0059	2.0765	1.0210	4.6208	2.4401	2.9788		1.6645
H10	2.7601	2.8348	4.0059	2.0765	1.0210	4.6208	2.9788	2.4401	1.6645

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	108.027	C1	C4	N5	113.653
C1	C4	H7	107.496	C1	C4	H8	107.496
O2	C1	O3	124.146	O2	C1	C4	125.620
O3	C1	C4	110.235	C4	N5	H9	112.843
C4	N5	H10	112.843	N5	C4	H7	110.754
N5	C4	H8	110.754	H7	C4	H8	106.349
H9	N5	H10	109.209

All results from a given calculation for H₂NCH₂COOH (Glycine)

using model chemistry: wB97X-D/3-21G*

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	0.618
2	O	-0.498
3	O	-0.587
4	C	-0.353
5	N	-0.686
6	H	0.384
7	H	0.266
8	H	0.266
9	H	0.295
10	H	0.295

	x	y	z	Total
	-0.507	1.124	0.000	1.233
CHELPG
AIM
ESP

	x	y	z
x	4.779	-0.395	0.000
y	-0.395	4.698	0.000
z	0.000	0.000	3.155

<r²>	118.483
(<r²>)^1/2	10.885

All results from a given calculation for H2NCH2COOH (Glycine)

using model chemistry: wB97X-D/3-21G*

States and conformations

All results from a given calculation for H₂NCH₂COOH (Glycine)