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

TPSSh/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'	3721	3570	6.931	1.0662		120.00	0.31	0.47
2	A'	3133	3006	36.099	1.1017		64.81	0.75	0.86
3	A'	3059	2935	18.368	1.0346		119.46	0.01	0.02
4	A'	2985	2864	78.674	1.0543		115.07	0.13	0.22
5	A'	1569	1505	2.430	1.0901		3.55	0.58	0.74
6	A'	1543	1480	3.181	1.0444		27.62	0.75	0.85
7	A'	1480	1420	15.729	1.4545		5.93	0.64	0.78
8	A'	1431	1372	0.081	1.2312		0.98	0.56	0.72
9	A'	1290	1238	80.642	1.2525		7.09	0.75	0.86
10	A'	1119	1073	21.426	2.1964		5.90	0.55	0.71
11	A'	1040	998	57.073	2.2161		3.20	0.18	0.30
12	A'	910	873	11.848	2.2187		6.01	0.39	0.56
13	A'	407	390	11.159	2.6379		0.27	0.69	0.82
14	A"	3140	3012	38.929	1.1033		51.70	0.75	0.86
15	A"	3011	2889	83.575	1.1084		99.45	0.75	0.86
16	A"	1526	1464	3.974	1.0412		17.53	0.75	0.86
17	A"	1310	1257	0.171	1.1317		14.79	0.75	0.86
18	A"	1193	1144	4.283	1.476		3.72	0.75	0.86
19	A"	822	789	0.001	1.0784		0.06	0.75	0.86
20	A"	299	287	97.917	1.0696		4.53	0.75	0.86
21	A"	247	237	32.660	1.1513		0.92	0.75	0.86

Unscaled Zero Point Vibrational Energy (zpe) 17618 cm^-1
Scaled (by 0.9594) Zero Point Vibrational Energy (zpe) 16902 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