Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Calculated Frequencies for CH₃CH₂OH (Ethanol) ¹A^' C_s

B3PW91/6-31G* ¹A^' CS

Mode Number	Symmetry	Frequency (cm-1)	Scaled Frequency (cm-1)	IR Intensity (km/mol)	reduced mass (u)	description	Raman Act (Å4/u)	Dep P	Dep U
1	A'	3795	3630	14.196	1.0663
2	A'	3148	3012	27.985	1.1024
3	A'	3068	2935	15.261	1.0354
4	A'	2989	2860	75.211	1.0555
5	A'	1557	1490	2.577	1.0913
6	A'	1527	1461	3.293	1.0463
7	A'	1482	1418	15.305	1.4825
8	A'	1421	1359	1.575	1.2351
9	A'	1294	1238	90.640	1.2518
10	A'	1139	1090	32.396	2.5231
11	A'	1052	1006	47.466	1.993
12	A'	920	880	8.241	2.0966
13	A'	418	400	11.813	2.6246
14	A"	3152	3016	30.227	1.1035
15	A"	3016	2886	77.135	1.1078
16	A"	1509	1444	5.390	1.0396
17	A"	1312	1255	0.119	1.1124
18	A"	1194	1142	5.170	1.5202
19	A"	828	792	0.086	1.0806
20	A"	302	289	103.163	1.0697
21	A"	252	241	33.229	1.1518

Unscaled Zero Point Vibrational Energy (zpe) 17687 cm^-1
Scaled (by 0.9567) Zero Point Vibrational Energy (zpe) 16921 cm^-1

See section Calculated; Vibrations; Scale Factors; Set scaling factors to change the scale factors used here.
See section Calculated; Vibrations; Scale Factors; Calculate a scale factor to determine the least squares best scaling factor.

List of Irreducible Representations for C_s