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	hartrees
Energy at 0K	-227.555514
Energy at 298.15K	-227.560224
Nuclear repulsion energy	118.658246

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3335	3180	3.34
2	A'	3127	2982	4.24
3	A'	3012	2872	0.65
4	A'	1740	1660	162.92
5	A'	1484	1415	21.71
6	A'	1391	1327	44.02
7	A'	1335	1273	18.68
8	A'	1136	1083	160.29
9	A'	957	912	95.06
10	A'	818	780	2.21
11	A'	542	517	38.27
12	A'	392	374	4.28
13	A"	3075	2932	2.81
14	A"	1496	1426	12.67
15	A"	1063	1013	10.20
16	A"	673	642	115.35
17	A"	540	515	23.53
18	A"	73	70	1.47

Number	Element	Mulliken
1	C	-0.669
2	C	0.531
3	O	-0.441
4	H	0.239
5	H	0.247
6	H	0.247
7	O	-0.507
8	H	0.353

	x	y	z	Total
	-0.309	-1.320	0.000	1.356
CHELPG
AIM
ESP

	x	y	z
x	4.445	-0.159	0.000
y	-0.159	4.292	0.000
z	0.000	0.000	2.352

All results from a given calculation for (Acetic acid)

using model chemistry: PBEPBE/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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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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<r²>	72.738
(<r²>)^1/2	8.529