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	hartrees
Energy at 0K	-303.661754
Energy at 298.15K	-303.667405
HF Energy	-302.693741
Nuclear repulsion energy	180.405973

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3792	3581	41.91
2	A'	3789	3579	124.20
3	A'	3086	2915	21.71
4	A'	1843	1741	219.57
5	A'	1527	1442	5.85
6	A'	1505	1422	9.94
7	A'	1387	1310	151.89
8	A'	1318	1245	16.88
9	A'	1194	1128	106.19
10	A'	1146	1082	234.38
11	A'	882	833	34.00
12	A'	656	619	18.45
13	A'	477	451	26.49
14	A'	289	273	7.96
15	A"	3129	2955	13.05
16	A"	1268	1198	0.24
17	A"	1055	997	0.86
18	A"	671	634	120.01
19	A"	517	488	6.36
20	A"	326	308	68.79
21	A"	82	77	11.56

Atom	x (Å)	y (Å)	z (Å)
C1	-0.600	-0.863	0.000
C2	0.000	0.521	0.000
O3	-0.936	1.481	0.000
O4	1.193	0.726	0.000
O5	0.407	-1.835	0.000
H6	-1.244	-0.954	0.882
H7	-1.244	-0.954	-0.882
H8	1.235	-1.338	0.000
H9	-0.456	2.322	0.000

	C1	C2	O3	O4	O5	H6	H7	H8	H9
C1		1.5088	2.3687	2.3959	1.3991	1.0957	1.0957	1.8955	3.1891
C2	1.5088		1.3409	1.2103	2.3906	2.1217	2.1217	2.2314	1.8583
O3	2.3687	1.3409		2.2586	3.5776	2.6087	2.6087	3.5579	0.9683
O4	2.3959	1.2103	2.2586		2.6786	3.0886	3.0886	2.0638	2.2949
O5	1.3991	2.3906	3.5776	2.6786		2.0686	2.0686	0.9662	4.2458
H6	1.0957	2.1217	2.6087	3.0886	2.0686		1.7634	2.6593	3.4837
H7	1.0957	2.1217	2.6087	3.0886	2.0686	1.7634		2.6593	3.4837
H8	1.8955	2.2314	3.5579	2.0638	0.9662	2.6593	2.6593		4.0317
H9	3.1891	1.8583	0.9683	2.2949	4.2458	3.4837	3.4837	4.0317

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	112.315	C1	C2	O4	123.187
C1	O5	H8	105.049	C2	C1	O5	110.535
C2	C1	H6	108.052	C2	C1	H7	108.052
C2	O3	H9	106.041	O3	C2	O4	124.498
O5	C1	H6	111.442	O5	C1	H7	111.442
H6	C1	H7	107.156

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

using model chemistry: MP2/6-31G(2df,p)

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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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All results from a given calculation for HOCH2COOH (Hydroxyacetic acid)

using model chemistry: MP2/6-31G(2df,p)

States and conformations

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