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	hartrees
Energy at 0K	-284.425405
Energy at 298.15K
HF Energy	-284.425405
Nuclear repulsion energy	179.751676

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3841	3674	66.13
2	A'	3549	3394	1.27
3	A'	3069	2935	17.51
4	A'	1876	1795	302.84
5	A'	1684	1611	22.88
6	A'	1458	1395	15.75
7	A'	1426	1364	34.92
8	A'	1327	1269	7.41
9	A'	1196	1144	175.02
10	A'	1163	1113	125.84
11	A'	937	896	131.88
12	A'	839	802	104.48
13	A'	650	622	7.94
14	A'	473	453	31.83
15	A'	260	249	10.65
16	A"	3622	3464	3.02
17	A"	3110	2974	9.19
18	A"	1392	1331	0.38
19	A"	1192	1140	1.34
20	A"	928	888	4.42
21	A"	666	637	103.32
22	A"	509	487	34.31
23	A"	206	197	46.38
24	A"	36i	34i	9.34

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.549	0.000
O2	1.176	0.820	0.000
O3	-0.977	1.475	0.000
C4	-0.571	-0.847	0.000
N5	0.400	-1.909	0.000
H6	-0.519	2.321	0.000
H7	-1.223	-0.925	0.876
H8	-1.223	-0.925	-0.876
H9	0.999	-1.847	0.813
H10	0.999	-1.847	-0.813

	C1	O2	O3	C4	N5	H6	H7	H8	H9	H10
C1		1.2071	1.3464	1.5083	2.4904	1.8464	2.1067	2.1067	2.7206	2.7206
O2	1.2071		2.2512	2.4148	2.8369	2.2647	3.0939	3.0939	2.7939	2.7939
O3	1.3464	2.2512		2.3573	3.6537	0.9619	2.5671	2.5671	3.9503	3.9503
C4	1.5083	2.4148	2.3573		1.4392	3.1683	1.0950	1.0950	2.0314	2.0314
N5	2.4904	2.8369	3.6537	1.4392		4.3287	2.0907	2.0907	1.0116	1.0116
H6	1.8464	2.2647	0.9619	3.1683	4.3287		3.4354	3.4354	4.5101	4.5101
H7	2.1067	3.0939	2.5671	1.0950	2.0907	3.4354		1.7516	2.4068	2.9396
H8	2.1067	3.0939	2.5671	1.0950	2.0907	3.4354	1.7516		2.9396	2.4068
H9	2.7206	2.7939	3.9503	2.0314	1.0116	4.5101	2.4068	2.9396		1.6263
H10	2.7206	2.7939	3.9503	2.0314	1.0116	4.5101	2.9396	2.4068	1.6263

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	105.018	C1	C4	N5	115.308
C1	C4	H7	106.976	C1	C4	H8	106.976
O2	C1	O3	123.590	O2	C1	C4	125.203
O3	C1	C4	111.207	C4	N5	H9	110.757
C4	N5	H10	110.757	N5	C4	H7	110.441
N5	C4	H8	110.441	H7	C4	H8	106.233
H9	N5	H10	106.997

All results from a given calculation for H₂NCH₂COOH (Glycine)

using model chemistry: wB97X-D/6-311G**

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	0.303
2	O	-0.343
3	O	-0.329
4	C	-0.170
5	N	-0.449
6	H	0.265
7	H	0.159
8	H	0.159
9	H	0.203
10	H	0.203

	x	y	z	Total
	-0.759	0.994	0.000	1.251
CHELPG
AIM
ESP

	x	y	z
x	5.604	-0.279	0.000
y	-0.279	5.699	0.000
z	0.000	0.000	3.982

<r²>	117.181
(<r²>)^1/2	10.825

All results from a given calculation for H2NCH2COOH (Glycine)

using model chemistry: wB97X-D/6-311G**

States and conformations

All results from a given calculation for H₂NCH₂COOH (Glycine)