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

B97D3/6-311+G(3df,2p) 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'	3773	3724	19.180	1.0664		111.79	0.24	0.38
2	A'	3052	3013	31.731	1.1007		59.03	0.75	0.85
3	A'	2981	2943	19.180	1.0342		166.09	0.00	0.00
4	A'	2913	2875	76.534	1.0543		136.29	0.07	0.13
5	A'	1495	1475	1.217	1.087		2.18	0.74	0.85
6	A'	1473	1454	3.107	1.044		7.92	0.75	0.86
7	A'	1414	1396	11.327	1.4088		1.25	0.39	0.56
8	A'	1373	1355	1.281	1.2253		0.05	0.29	0.44
9	A'	1244	1228	58.116	1.2216		1.31	0.64	0.78
10	A'	1070	1056	22.115	2.036		6.07	0.38	0.55
11	A'	1002	989	70.045	2.5497		4.78	0.19	0.32
12	A'	872	861	17.200	2.3504		5.26	0.20	0.33
13	A'	411	405	10.752	2.6437		0.33	0.62	0.76
14	A"	3056	3016	35.967	1.1027		43.52	0.75	0.86
15	A"	2938	2900	54.589	1.1073		106.16	0.75	0.86
16	A"	1455	1436	5.913	1.0385		4.63	0.75	0.86
17	A"	1270	1253	0.040	1.1126		4.24	0.75	0.86
18	A"	1152	1137	2.548	1.5147		0.61	0.75	0.86
19	A"	805	794	0.227	1.083		0.17	0.75	0.86
20	A"	269	266	60.274	1.0674		1.10	0.75	0.86
21	A"	229	226	51.835	1.1531		0.50	0.75	0.86

Unscaled Zero Point Vibrational Energy (zpe) 17124 cm^-1
Scaled (by 0.987) Zero Point Vibrational Energy (zpe) 16901 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