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

QCISD/6-31+G** 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'	3901	3688	23.841	1.0668
2	A'	3186	3012	30.728	1.1013
3	A'	3104	2934	17.077	1.0361
4	A'	3068	2901	66.386	1.056
5	A'	1579	1492	1.873	1.0997
6	A'	1547	1462	2.690	1.0542
7	A'	1495	1413	17.976	1.448
8	A'	1445	1366	0.346	1.2345
9	A'	1290	1220	72.661	1.3051
10	A'	1126	1065	26.539	2.3415
11	A'	1069	1010	54.400	1.8612
12	A'	923	873	15.076	2.2367
13	A'	423	400	12.151	2.6494
14	A"	3198	3023	32.708	1.1037
15	A"	3107	2937	49.838	1.108
16	A"	1528	1445	5.010	1.0429
17	A"	1324	1252	0.039	1.1285
18	A"	1211	1145	3.500	1.4698
19	A"	836	791	0.045	1.0797
20	A"	280	265	46.784	1.0742
21	A"	224	212	99.995	1.1469

Unscaled Zero Point Vibrational Energy (zpe) 17932 cm^-1
Scaled (by 0.9454) Zero Point Vibrational Energy (zpe) 16953 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