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

MP2/6-311G** 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'	3911	3716	29.421	1.0665		87.00	0.29	0.46
2	A'	3178	3020	24.884	1.1021		57.63	0.75	0.86
3	A'	3086	2932	13.730	1.0354		128.54	0.01	0.02
4	A'	3037	2886	65.203	1.0558		113.63	0.11	0.19
5	A'	1557	1480	1.871	1.0923		4.01	0.72	0.83
6	A'	1525	1450	2.566	1.0531		16.23	0.75	0.86
7	A'	1489	1414	12.127	1.4661		3.97	0.37	0.54
8	A'	1418	1348	2.379	1.2406		0.46	0.56	0.72
9	A'	1300	1236	74.461	1.2374		3.57	0.74	0.85
10	A'	1140	1083	28.820	2.6235		5.70	0.61	0.75
11	A'	1068	1015	46.067	1.959		3.94	0.16	0.28
12	A'	926	880	10.880	2.0911		5.34	0.33	0.49
13	A'	422	401	11.204	2.6195		0.30	0.63	0.77
14	A"	3185	3026	27.220	1.1038		45.03	0.75	0.86
15	A"	3080	2926	57.095	1.1087		90.21	0.75	0.86
16	A"	1500	1426	5.545	1.04		10.32	0.75	0.86
17	A"	1327	1261	0.001	1.1033		9.46	0.75	0.86
18	A"	1204	1144	4.801	1.5294		1.24	0.75	0.86
19	A"	836	794	0.036	1.0762		0.06	0.75	0.86
20	A"	289	275	33.518	1.0797		1.31	0.75	0.86
21	A"	236	224	91.110	1.1416		2.12	0.75	0.86

Unscaled Zero Point Vibrational Energy (zpe) 17858 cm^-1
Scaled (by 0.9502) Zero Point Vibrational Energy (zpe) 16969 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