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/6-31G(2df,p) 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'	4187	3792	46.017	1.0668		81.84	0.29	0.45
2	A'	3244	2937	44.511	1.1022		58.69	0.75	0.86
3	A'	3175	2875	19.142	1.0363		125.53	0.02	0.03
4	A'	3131	2835	73.935	1.0561		89.70	0.15	0.26
5	A'	1656	1500	2.467	1.0943		4.11	0.73	0.84
6	A'	1619	1466	3.254	1.0912		14.65	0.75	0.85
7	A'	1593	1443	14.695	1.3812		5.06	0.54	0.70
8	A'	1523	1379	0.397	1.2371		0.42	0.75	0.86
9	A'	1383	1252	109.730	1.3303		2.85	0.63	0.77
10	A'	1213	1098	30.428	2.4118		6.41	0.62	0.77
11	A'	1120	1014	52.700	1.8248		3.67	0.22	0.37
12	A'	967	876	5.453	2.1975		8.83	0.26	0.41
13	A'	444	402	10.787	2.6205		0.29	0.58	0.73
14	A"	3252	2945	49.037	1.1041		42.91	0.75	0.86
15	A"	3157	2858	72.143	1.1075		89.11	0.75	0.86
16	A"	1600	1449	3.040	1.0419		13.15	0.75	0.86
17	A"	1410	1277	0.169	1.1015		9.86	0.75	0.86
18	A"	1287	1166	6.035	1.5306		1.25	0.75	0.86
19	A"	874	792	0.047	1.0813		0.03	0.75	0.86
20	A"	306	277	99.924	1.0692		2.22	0.75	0.86
21	A"	264	239	31.028	1.1531		0.31	0.75	0.86

Unscaled Zero Point Vibrational Energy (zpe) 18703 cm^-1
Scaled (by 0.9055) Zero Point Vibrational Energy (zpe) 16936 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