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	hartrees
Energy at 0K	-323.654571
Energy at 298.15K	-323.664413
Nuclear repulsion energy	247.959805

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3618	3479	9.20
2	A	3529	3393	1.93
3	A	3216	3092	762.03
4	A	3137	3016	6.47
5	A	3090	2971	19.35
6	A	3040	2922	5.96
7	A	3017	2900	64.68
8	A	1873	1801	376.51
9	A	1649	1585	27.67
10	A	1511	1453	139.21
11	A	1500	1442	97.95
12	A	1454	1398	7.15
13	A	1413	1359	12.10
14	A	1362	1310	11.19
15	A	1311	1260	5.68
16	A	1293	1244	28.29
17	A	1252	1203	55.98
18	A	1143	1099	6.30
19	A	1090	1048	5.04
20	A	1023	984	9.53
21	A	1004	965	80.93
22	A	961	924	5.06
23	A	918	882	21.23
24	A	869	835	39.98
25	A	814	783	23.55
26	A	699	672	9.37
27	A	578	556	2.42
28	A	489	470	9.02
29	A	407	392	11.62
30	A	330	317	7.57
31	A	283	272	10.34
32	A	200	192	4.88
33	A	90	87	0.35

All results from a given calculation for NH₂CH₂CH₂COOH (β–alanine)

using model chemistry: B3PW91/6-31G(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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HF vs MP2 Bad vib. Calc. vs exp. 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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 NH2CH2CH2COOH (β–alanine)

using model chemistry: B3PW91/6-31G(2df,p)

States and conformations

All results from a given calculation for NH₂CH₂CH₂COOH (β–alanine)