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

B1B95/aug-cc-pVDZ 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'	3893	3729	31.927	1.0667		105.76	0.21	0.35
2	A'	3158	3025	24.970	1.1019		55.46	0.75	0.85
3	A'	3070	2941	15.134	1.0359		182.29	0.00	0.01
4	A'	3021	2893	68.774	1.0563		136.57	0.07	0.13
5	A'	1503	1439	1.454	1.0935		2.81	0.73	0.84
6	A'	1475	1413	2.370	1.0702		5.84	0.75	0.86
7	A'	1441	1381	12.891	1.4606		2.19	0.52	0.68
8	A'	1373	1316	2.158	1.2407		0.06	0.53	0.69
9	A'	1269	1216	70.035	1.2411		0.92	0.72	0.84
10	A'	1123	1075	53.942	2.9932		5.19	0.57	0.73
11	A'	1052	1008	33.337	1.8221		6.50	0.11	0.21
12	A'	911	872	12.402	2.0192		4.78	0.20	0.34
13	A'	413	396	10.767	2.5696		0.29	0.61	0.75
14	A"	3160	3027	28.529	1.1036		41.16	0.75	0.86
15	A"	3058	2929	46.449	1.1073		97.84	0.75	0.86
16	A"	1455	1393	6.095	1.0366		4.78	0.75	0.86
17	A"	1290	1235	0.005	1.1064		3.90	0.75	0.86
18	A"	1168	1119	3.156	1.5362		0.40	0.75	0.86
19	A"	810	776	0.210	1.081		0.17	0.75	0.86
20	A"	300	287	92.884	1.0693		1.38	0.75	0.86
21	A"	239	229	23.534	1.1533		0.16	0.75	0.86

Unscaled Zero Point Vibrational Energy (zpe) 17591 cm^-1
Scaled (by 0.9579) Zero Point Vibrational Energy (zpe) 16850 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