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	hartrees
Energy at 0K	-228.982859
Energy at 298.15K	-228.977326
HF Energy	-229.104693
Nuclear repulsion energy	121.068949

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3749	3618	46.03
2	A'	3173	3062	5.54
3	A'	3058	2951	1.88
4	A'	1848	1784	277.88
5	A'	1470	1419	12.56
6	A'	1408	1358	57.37
7	A'	1350	1303	16.28
8	A'	1212	1170	202.25
9	A'	996	962	58.69
10	A'	862	832	2.95
11	A'	583	563	39.50
12	A'	417	402	3.83
13	A"	3122	3013	4.44
14	A"	1476	1424	6.92
15	A"	1066	1029	8.08
16	A"	682	658	91.27
17	A"	548	529	19.27
18	A"	79	76	0.38

Atom	x (Å)	y (Å)	z (Å)
C1	1.055	-0.918	0.000
C2	0.000	0.158	0.000
O3	0.197	1.346	0.000
H4	2.043	-0.460	0.000
H5	0.937	-1.556	0.881
H6	0.937	-1.556	-0.881
O7	-1.245	-0.376	0.000
H8	-1.858	0.375	0.000

	C1	C2	O3	H4	H5	H6	O7	H8
C1		1.5076	2.4217	1.0889	1.0938	1.0938	2.3638	3.1874
C2	1.5076		1.2038	2.1343	2.1432	2.1432	1.3552	1.8705
O3	2.4217	1.2038		2.5824	3.1219	3.1219	2.2461	2.2722
H4	1.0889	2.1343	2.5824		1.7890	1.7890	3.2893	3.9890
H5	1.0938	2.1432	3.1219	1.7890		1.7613	2.6328	3.5096
H6	1.0938	2.1432	3.1219	1.7890	1.7613		2.6328	3.5096
O7	2.3638	1.3552	2.2461	3.2893	2.6328	2.6328		0.9692
H8	3.1874	1.8705	2.2722	3.9890	3.5096	3.5096	0.9692

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	125.765	C1	C2	O7	110.946
C2	C1	H4	109.406	C2	C1	H5	110.018
C2	C1	H6	110.018	C2	O7	H8	106.683
O3	C2	O7	123.289	H4	C1	H5	110.056
H4	C1	H6	110.056	H5	C1	H6	107.264

All results from a given calculation for CH₃COOH (Acetic acid)

using model chemistry: G4

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	-0.468
2	C	0.405
3	O	-0.332
4	H	0.151
5	H	0.154
6	H	0.154
7	O	-0.364
8	H	0.301

	x	y	z	Total
	-0.404	-1.550	0.000	1.602
CHELPG
AIM
ESP

<r²>	70.692
(<r²>)^1/2	8.408

All results from a given calculation for CH3COOH (Acetic acid)

using model chemistry: G4

States and conformations

All results from a given calculation for CH₃COOH (Acetic acid)