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	hartrees
Energy at 0K	-301.444629
Energy at 298.15K	-301.450266
HF Energy	-300.961403
Nuclear repulsion energy	177.908455

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3664	3424	44.30
2	A'	3632	3393	30.46
3	A'	3137	2931	13.90
4	A'	1846	1725	182.26
5	A'	1625	1518	11.13
6	A'	1530	1429	35.34
7	A'	1430	1337	96.77
8	A'	1374	1284	44.39
9	A'	1179	1102	223.56
10	A'	1087	1015	139.44
11	A'	866	810	39.28
12	A'	664	621	24.05
13	A'	478	447	30.84
14	A'	283	265	8.03
15	A"	3167	2959	20.17
16	A"	1284	1200	1.02
17	A"	1120	1046	1.52
18	A"	667	623	199.51
19	A"	533	498	18.46
20	A"	317	296	100.25
21	A"	79	74	25.22

Atom	x (Å)	y (Å)	z (Å)
C1	-0.616	-0.865	0.000
C2	0.000	0.520	0.000
O3	-0.951	1.497	0.000
O4	1.203	0.733	0.000
O5	0.429	-1.859	0.000
H6	-1.250	-0.958	0.884
H7	-1.250	-0.958	-0.884
H8	1.286	-1.373	0.000
H9	-0.531	2.387	0.000

	C1	C2	O3	O4	O5	H6	H7	H8	H9
C1		1.5159	2.3855	2.4214	1.4429	1.0916	1.0916	1.9689	3.2532
C2	1.5159		1.3636	1.2217	2.4182	2.1279	2.1279	2.2890	1.9412
O3	2.3855	1.3636		2.2859	3.6294	2.6260	2.6260	3.6395	0.9844
O4	2.4214	1.2217	2.2859		2.7058	3.1077	3.1077	2.1083	2.3967
O5	1.4429	2.4182	3.6294	2.7058		2.1009	2.1009	0.9851	4.3541
H6	1.0916	2.1279	2.6260	3.1077	2.1009		1.7675	2.7175	3.5336
H7	1.0916	2.1279	2.6260	3.1077	2.1009	1.7675		2.7175	3.5336
H8	1.9689	2.2890	3.6395	2.1083	0.9851	2.7175	2.7175		4.1768
H9	3.2532	1.9412	0.9844	2.3967	4.3541	3.5336	3.5336	4.1768

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	111.768	C1	C2	O4	124.021
C1	O5	H8	106.849	C2	C1	O5	109.601
C2	C1	H6	108.288	C2	C1	H7	108.288
C2	O3	H9	110.487	O3	C2	O4	124.211
O5	C1	H6	111.223	O5	C1	H7	111.223
H6	C1	H7	108.119

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

using model chemistry: CISD/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: CISD/3-21G*

States and conformations

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