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	hartrees
Energy at 0K	-302.792432
Energy at 298.15K	-302.798213
HF Energy	-302.792432
Nuclear repulsion energy	182.120696

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4106	3738	102.46
2	A'	4093	3726	129.75
3	A'	3178	2893	34.08
4	A'	1986	1808	417.53
5	A'	1622	1477	9.20
6	A'	1610	1465	0.12
7	A'	1459	1328	136.49
8	A'	1393	1268	58.49
9	A'	1299	1183	151.04
10	A'	1233	1123	251.90
11	A'	929	846	38.65
12	A'	710	647	27.47
13	A'	510	465	23.81
14	A'	299	272	8.22
15	A"	3206	2918	19.05
16	A"	1373	1250	0.36
17	A"	1141	1039	3.18
18	A"	692	630	134.17
19	A"	545	496	22.77
20	A"	291	265	89.23
21	A"	83	75	18.28

Atom	x (Å)	y (Å)	z (Å)
C1	-0.574	-0.868	0.000
C2	0.000	0.525	0.000
O3	-0.935	1.457	0.000
O4	1.160	0.760	0.000
O5	0.417	-1.831	0.000
H6	-1.209	-0.966	0.874
H7	-1.209	-0.966	-0.874
H8	1.261	-1.409	0.000
H9	-0.527	2.310	0.000

	C1	C2	O3	O4	O5	H6	H7	H8	H9
C1		1.5069	2.3522	2.3783	1.3821	1.0847	1.0847	1.9139	3.1780
C2	1.5069		1.3198	1.1832	2.3927	2.1096	2.1096	2.3094	1.8608
O3	2.3522	1.3198		2.2078	3.5545	2.5901	2.5901	3.6107	0.9459
O4	2.3783	1.1832	2.2078		2.6949	3.0584	3.0584	2.1713	2.2909
O5	1.3821	2.3927	3.5545	2.6949		2.0385	2.0385	0.9437	4.2469
H6	1.0847	2.1096	2.5901	3.0584	2.0385		1.7485	2.6576	3.4586
H7	1.0847	2.1096	2.5901	3.0584	2.0385	1.7485		2.6576	3.4586
H8	1.9139	2.3094	3.6107	2.1713	0.9437	2.6576	2.6576		4.1267
H9	3.1780	1.8608	0.9459	2.2909	4.2469	3.4586	3.4586	4.1267

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	112.465	C1	C2	O4	123.838
C1	O5	H8	109.302	C2	C1	O5	111.756
C2	C1	H6	107.869	C2	C1	H7	107.869
C2	O3	H9	109.310	O3	C2	O4	123.697
O5	C1	H6	110.882	O5	C1	H7	110.882
H6	C1	H7	107.406

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

using model chemistry: HF/aug-cc-pVTZ

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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Number	Element	Mulliken
1	C	0.152
2	C	0.397
3	O	-0.371
4	O	-0.707
5	O	-0.548
6	H	0.326
7	H	0.326
8	H	0.204
9	H	0.223

	x	y	z	Total
	-1.544	1.720	0.000	2.311
CHELPG
AIM
ESP

	x	y	z
x	5.564	-0.068	0.000
y	-0.068	5.509	0.000
z	0.000	0.000	3.946

<r²>	109.552
(<r²>)^1/2	10.467

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

using model chemistry: HF/aug-cc-pVTZ

States and conformations

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