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

B3LYP/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'	3751	3602	9.683	1.0663	description	115.08	0.31	0.47
2	A'	3129	3004	31.512	1.1024	description	61.04	0.75	0.86
3	A'	3058	2936	15.700	1.035	description	109.97	0.01	0.02
4	A'	2983	2864	73.197	1.0551	description	108.14	0.12	0.22
5	A'	1561	1499	2.627	1.0905	description	4.27	0.63	0.78
6	A'	1532	1471	3.099	1.0456	description	26.87	0.75	0.86
7	A'	1481	1423	16.220	1.4585	description	5.65	0.66	0.80
8	A'	1428	1371	0.424	1.2319	description	1.17	0.64	0.78
9	A'	1292	1240	86.480	1.2481	description	7.01	0.75	0.86
10	A'	1124	1079	22.988	2.2285	description	5.73	0.55	0.71
11	A'	1043	1001	56.247	2.1794	description	2.93	0.18	0.31
12	A'	912	875	10.158	2.2083	description	5.98	0.39	0.56
13	A'	417	401	11.300	2.6408	description	0.28	0.69	0.82
14	A"	3134	3009	34.312	1.1037	description	49.29	0.75	0.86
15	A"	3007	2887	77.466	1.1084	description	91.88	0.75	0.86
16	A"	1514	1454	4.424	1.0409	description	17.49	0.75	0.86
17	A"	1310	1258	0.081	1.1217	description	14.89	0.75	0.86
18	A"	1195	1147	4.853	1.4962	description	3.31	0.75	0.86
19	A"	830	797	0.016	1.0797	description	0.06	0.75	0.86
20	A"	301	289	98.619	1.0694	description	4.50	0.75	0.86
21	A"	251	241	32.563	1.1515	description	0.89	0.75	0.86

Unscaled Zero Point Vibrational Energy (zpe) 17625 cm^-1
Scaled (by 0.9603) Zero Point Vibrational Energy (zpe) 16925 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