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/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'	3866	3490	8.187	1.0668		134.07	0.32	0.49
2	A'	3276	2957	31.862	1.1002		57.62	0.74	0.85
3	A'	3213	2900	14.827	1.0344		120.38	0.02	0.05
4	A'	3180	2870	54.504	1.0542		86.43	0.20	0.34
5	A'	1710	1544	2.177	1.0858		8.84	0.74	0.85
6	A'	1675	1512	5.262	1.0396		28.24	0.75	0.86
7	A'	1584	1430	10.911	1.3673		2.96	0.49	0.65
8	A'	1573	1419	6.718	1.2046		1.68	0.75	0.86
9	A'	1371	1237	92.543	1.2803		8.40	0.63	0.77
10	A'	1198	1081	1.492	1.6148		7.75	0.51	0.68
11	A'	1084	979	76.282	3.0245		3.33	0.61	0.76
12	A'	952	859	2.776	2.7228		13.25	0.26	0.41
13	A'	426	384	16.854	2.7209		0.47	0.67	0.80
14	A"	3288	2968	37.097	1.1027		40.33	0.75	0.86
15	A"	3206	2893	65.452	1.1079		92.19	0.75	0.86
16	A"	1656	1495	4.272	1.041		22.45	0.75	0.86
17	A"	1434	1294	0.504	1.1519		15.95	0.75	0.86
18	A"	1282	1157	7.628	1.407		4.90	0.75	0.86
19	A"	918	828	0.038	1.0863		0.00	0.75	0.86
20	A"	313	282	158.651	1.0767		7.31	0.75	0.86
21	A"	254	229	20.459	1.1426		0.39	0.75	0.86

Unscaled Zero Point Vibrational Energy (zpe) 18729 cm^-1
Scaled (by 0.9026) Zero Point Vibrational Energy (zpe) 16905 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