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	hartrees
Energy at 0K	-59.424336
Energy at 298.15K	-59.433829
HF Energy	-59.424336
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3804	3804	47.00
2	A	3140	3140	46.59
3	A	3125	3125	49.80
4	A	3116	3116	50.11
5	A	3092	3092	0.03
6	A	3074	3074	27.56
7	A	3057	3057	15.86
8	A	3043	3043	37.94
9	A	1826	1826	360.35
10	A	1535	1535	8.55
11	A	1523	1523	8.66
12	A	1520	1520	2.48
13	A	1505	1505	8.94
14	A	1443	1443	6.36
15	A	1415	1415	17.46
16	A	1388	1388	49.12
17	A	1342	1342	3.94
18	A	1311	1311	0.95
19	A	1277	1277	41.93
20	A	1227	1227	149.33
21	A	1127	1127	6.25
22	A	1099	1099	86.72
23	A	1062	1062	4.14
24	A	932	932	1.23
25	A	904	904	2.03
26	A	884	884	9.52
27	A	768	768	6.77
28	A	734	734	42.07
29	A	617	617	78.57
30	A	573	573	61.26
31	A	430	430	3.24
32	A	335	335	1.36
33	A	269	269	0.04
34	A	187	187	0.02
35	A	100	100	0.23
36	A	68	68	0.56

All results from a given calculation for C₄H₈O₂ (Butanoic acid)

using model chemistry: wB97X-D/CEP-121G*

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 C4H8O2 (Butanoic acid)

using model chemistry: wB97X-D/CEP-121G*

States and conformations

All results from a given calculation for C₄H₈O₂ (Butanoic acid)