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

BLYP/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'	3672	3652	6.912	1.0662		114.24	0.30	0.46
2	A'	3039	3022	28.984	1.1008		59.52	0.75	0.85
3	A'	2969	2953	16.433	1.0338		109.45	0.01	0.01
4	A'	2877	2861	72.682	1.0537		110.84	0.11	0.19
5	A'	1491	1482	1.936	1.0859		2.63	0.58	0.73
6	A'	1464	1456	2.262	1.042		24.42	0.74	0.85
7	A'	1417	1409	13.802	1.4255		3.69	0.72	0.83
8	A'	1364	1356	0.399	1.2285		1.59	0.63	0.78
9	A'	1245	1238	64.394	1.1954		6.70	0.74	0.85
10	A'	1071	1065	17.640	2.101		4.96	0.43	0.61
11	A'	990	984	57.343	2.5772		3.36	0.16	0.27
12	A'	868	863	13.859	2.3223		5.28	0.35	0.52
13	A'	401	399	9.156	2.6275		0.28	0.73	0.84
14	A"	3040	3023	32.654	1.102		47.63	0.75	0.86
15	A"	2895	2879	71.737	1.1064		89.80	0.75	0.86
16	A"	1447	1439	3.288	1.0406		14.95	0.75	0.86
17	A"	1255	1248	0.075	1.1288		11.90	0.75	0.86
18	A"	1147	1141	3.581	1.4924		3.13	0.75	0.86
19	A"	798	794	0.038	1.079		0.11	0.75	0.86
20	A"	276	274	68.621	1.067		3.48	0.75	0.86
21	A"	228	226	34.626	1.1526		1.19	0.75	0.86

Unscaled Zero Point Vibrational Energy (zpe) 16976 cm^-1
Scaled (by 0.9945) Zero Point Vibrational Energy (zpe) 16883 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