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	hartrees
Energy at 0K	-301.439946
Energy at 298.15K	-301.445585
HF Energy	-300.961639
Nuclear repulsion energy	178.027807

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3676	3421	44.56
2	A'	3644	3390	30.26
3	A'	3141	2923	13.47
4	A'	1860	1730	184.73
5	A'	1626	1513	11.17
6	A'	1532	1425	32.75
7	A'	1434	1334	97.90
8	A'	1376	1280	45.75
9	A'	1183	1101	226.28
10	A'	1091	1015	139.04
11	A'	870	810	39.61
12	A'	667	620	24.44
13	A'	479	446	30.60
14	A'	284	264	7.99
15	A"	3171	2951	19.70
16	A"	1286	1196	0.94
17	A"	1121	1043	1.55
18	A"	665	619	198.34
19	A"	533	496	20.48
20	A"	313	292	100.52
21	A"	79	74	25.95

Atom	x (Å)	y (Å)	z (Å)
C1	-0.615	-0.864	0.000
C2	0.000	0.520	0.000
O3	-0.951	1.496	0.000
O4	1.201	0.734	0.000
O5	0.430	-1.859	0.000
H6	-1.249	-0.958	0.884
H7	-1.249	-0.958	-0.884
H8	1.287	-1.375	0.000
H9	-0.534	2.386	0.000

	C1	C2	O3	O4	O5	H6	H7	H8	H9
C1		1.5151	2.3840	2.4192	1.4420	1.0914	1.0914	1.9687	3.2516
C2	1.5151		1.3625	1.2199	2.4177	2.1271	2.1271	2.2907	1.9407
O3	2.3840	1.3625		2.2832	3.6277	2.6245	2.6245	3.6400	0.9836
O4	2.4192	1.2199	2.2832		2.7055	3.1055	3.1055	2.1109	2.3955
O5	1.4420	2.4177	3.6277	2.7055		2.0997	2.0997	0.9844	4.3530
H6	1.0914	2.1271	2.6245	3.1055	2.0997		1.7672	2.7170	3.5318
H7	1.0914	2.1271	2.6245	3.1055	2.0997	1.7672		2.7170	3.5318
H8	1.9687	2.2907	3.6400	2.1109	0.9844	2.7170	2.7170		4.1785
H9	3.2516	1.9407	0.9836	2.3955	4.3530	3.5318	3.5318	4.1785

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	111.772	C1	C2	O4	124.033
C1	O5	H8	106.944	C2	C1	O5	109.668
C2	C1	H6	108.287	C2	C1	H7	108.287
C2	O3	H9	110.577	O3	C2	O4	124.196
O5	C1	H6	111.198	O5	C1	H7	111.198
H6	C1	H7	108.104

All results from a given calculation for HOCH₂COOH (Hydroxyacetic acid)

using model chemistry: CID/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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All results from a given calculation for HOCH2COOH (Hydroxyacetic acid)

using model chemistry: CID/3-21G*

States and conformations

All results from a given calculation for HOCH₂COOH (Hydroxyacetic acid)