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/cc-pV(T+d)Z 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'	3860	3721	26.412	1.0663
2	A'	3118	3006	25.982	1.1014
3	A'	3043	2934	15.662	1.035
4	A'	2977	2870	69.507	1.0554
5	A'	1523	1469	1.500	1.089
6	A'	1494	1440	2.585	1.052
7	A'	1454	1402	10.973	1.4454
8	A'	1396	1346	3.011	1.2385
9	A'	1272	1226	72.343	1.2407
10	A'	1119	1079	37.307	2.5972
11	A'	1040	1002	51.336	2.019
12	A'	907	874	10.123	2.1161
13	A'	416	401	10.766	2.6069
14	A"	3121	3008	29.421	1.1031
15	A"	3003	2895	54.345	1.1071
16	A"	1475	1422	6.073	1.0378
17	A"	1299	1252	0.013	1.1087
18	A"	1177	1135	3.949	1.5296
19	A"	818	788	0.228	1.0827
20	A"	280	270	80.541	1.0674
21	A"	241	232	35.719	1.1534

Unscaled Zero Point Vibrational Energy (zpe) 17518 cm^-1
Scaled (by 0.964) Zero Point Vibrational Energy (zpe) 16887 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