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

PBEPBE/3-21G* 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'	3347	3191	4.135	1.0659		144.88	0.31	0.48
2	A'	3077	2934	21.497	1.1002		55.71	0.75	0.86
3	A'	2998	2858	11.378	1.0324		99.63	0.01	0.02
4	A'	2893	2758	65.450	1.052		107.10	0.13	0.23
5	A'	1547	1475	1.928	1.0847		5.09	0.63	0.78
6	A'	1525	1454	6.961	1.0338		34.99	0.75	0.85
7	A'	1428	1362	6.521	1.4119		4.18	0.72	0.84
8	A'	1405	1340	11.669	1.2075		3.18	0.66	0.80
9	A'	1262	1203	64.271	1.1854		12.19	0.74	0.85
10	A'	1086	1035	5.108	1.7493		5.98	0.43	0.60
11	A'	983	937	52.470	3.1793		2.51	0.16	0.27
12	A'	877	836	13.363	2.6459		4.98	0.41	0.58
13	A'	388	370	13.738	2.6945		0.26	0.75	0.86
14	A"	3079	2936	25.081	1.1006		44.42	0.75	0.86
15	A"	2915	2779	81.544	1.1063		91.06	0.75	0.86
16	A"	1502	1432	6.917	1.0389		21.25	0.75	0.86
17	A"	1284	1225	2.558	1.1979		15.38	0.75	0.86
18	A"	1144	1091	2.587	1.3682		9.15	0.75	0.86
19	A"	840	801	0.531	1.0802		0.12	0.75	0.86
20	A"	317	302	119.368	1.0762		9.59	0.75	0.86
21	A"	236	225	16.626	1.1414		0.90	0.75	0.86

Unscaled Zero Point Vibrational Energy (zpe) 17066 cm^-1
Scaled (by 0.9535) Zero Point Vibrational Energy (zpe) 16272 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