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

HF/aug-cc-pVTZ 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'	4171	3797	56.838	1.067		84.35	0.22	0.36
2	A'	3224	2935	48.227	1.1015		52.22	0.75	0.86
3	A'	3164	2880	20.676	1.0366		204.21	0.01	0.01
4	A'	3133	2852	73.744	1.056		104.42	0.11	0.19
5	A'	1652	1504	1.898	1.0955		2.61	0.75	0.85
6	A'	1616	1472	2.620	1.0734		5.03	0.74	0.85
7	A'	1583	1441	14.275	1.3912		2.58	0.33	0.50
8	A'	1523	1387	0.314	1.2334		0.01	0.62	0.77
9	A'	1371	1248	100.494	1.3443		0.77	0.51	0.68
10	A'	1199	1092	35.374	2.3442		6.09	0.58	0.74
11	A'	1119	1019	61.487	1.8418		4.32	0.19	0.32
12	A'	964	878	7.298	2.2392		9.20	0.17	0.29
13	A'	447	407	11.271	2.6334		0.35	0.50	0.66
14	A"	3234	2944	54.733	1.1042		34.05	0.75	0.86
15	A"	3154	2871	53.503	1.1076		92.46	0.75	0.86
16	A"	1598	1455	4.778	1.0409		4.33	0.75	0.86
17	A"	1411	1285	0.212	1.1017		3.58	0.75	0.86
18	A"	1284	1169	4.780	1.5262		0.24	0.75	0.86
19	A"	877	798	0.000	1.0836		0.05	0.75	0.86
20	A"	298	271	80.799	1.0667		0.86	0.75	0.86
21	A"	260	236	50.320	1.1563		0.27	0.75	0.86

Unscaled Zero Point Vibrational Energy (zpe) 18641 cm^-1
Scaled (by 0.9104) Zero Point Vibrational Energy (zpe) 16970 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