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	hartrees
Energy at 0K	-233.556332
Energy at 298.15K	-233.567518
HF Energy	-233.241768
Nuclear repulsion energy	193.143497

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3840	3690	24.66
2	A	3117	2995	38.44
3	A	3112	2990	32.18
4	A	3107	2986	53.08
5	A	3100	2979	18.30
6	A	3099	2978	17.65
7	A	3044	2925	31.99
8	A	3039	2920	12.93
9	A	3033	2915	22.88
10	A	2999	2882	39.70
11	A	1528	1469	13.76
12	A	1518	1459	5.14
13	A	1515	1456	0.34
14	A	1508	1449	3.30
15	A	1500	1441	0.78
16	A	1435	1379	18.47
17	A	1416	1361	6.46
18	A	1410	1355	10.79
19	A	1391	1337	1.88
20	A	1371	1318	6.86
21	A	1333	1281	0.23
22	A	1251	1202	12.70
23	A	1204	1157	0.51
24	A	1164	1118	3.40
25	A	1118	1074	11.46
26	A	1063	1022	117.54
27	A	977	939	0.37
28	A	953	915	8.68
29	A	934	898	0.16
30	A	908	873	6.25
31	A	822	789	5.67
32	A	489	470	4.46
33	A	418	402	0.77
34	A	355	341	1.19
35	A	273	262	56.08
36	A	257	247	12.22
37	A	238	229	50.88
38	A	219	210	1.98
39	A	123	118	3.03

All results from a given calculation for C₄H₁₀O (1-Propanol, 2-methyl-)

using model chemistry: B2PLYP/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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All results from a given calculation for C4H10O (1-Propanol, 2-methyl-)

using model chemistry: B2PLYP/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₄H₁₀O (1-Propanol, 2-methyl-)