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/CEP-121G 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'	4039	3686	17.753	1.0673		118.07	0.31	0.48
2	A'	3243	2960	63.529	1.0994		61.63	0.73	0.85
3	A'	3160	2884	35.266	1.0458		247.56	0.02	0.05
4	A'	3143	2868	77.733	1.0495		30.66	0.62	0.76
5	A'	1669	1523	2.325	1.0941		6.98	0.74	0.85
6	A'	1637	1494	4.537	1.0484		20.78	0.75	0.85
7	A'	1577	1439	20.988	1.4038		4.68	0.36	0.53
8	A'	1544	1409	0.885	1.2373		0.52	0.67	0.80
9	A'	1342	1224	94.875	1.3716		7.85	0.47	0.64
10	A'	1179	1076	19.469	1.9803		11.01	0.67	0.81
11	A'	1122	1024	90.594	1.916		4.53	0.26	0.42
12	A'	962	878	16.355	2.5021		14.02	0.26	0.41
13	A'	434	396	17.096	2.6871		0.50	0.59	0.74
14	A"	3264	2978	75.439	1.1033		38.49	0.75	0.86
15	A"	3196	2916	66.171	1.1085		106.47	0.75	0.86
16	A"	1619	1478	5.469	1.0443		14.88	0.75	0.86
17	A"	1403	1280	0.001	1.133		14.88	0.75	0.86
18	A"	1278	1166	8.045	1.4363		2.65	0.75	0.86
19	A"	892	814	0.002	1.0856		0.05	0.75	0.86
20	A"	305	278	179.792	1.0709		4.67	0.75	0.86
21	A"	247	226	39.157	1.1518		0.39	0.75	0.86

Unscaled Zero Point Vibrational Energy (zpe) 18627 cm^-1
Scaled (by 0.9125) Zero Point Vibrational Energy (zpe) 16997 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