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

TPSSh/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'	3744	3641	14.525	1.0664		118.62	0.30	0.46
2	A'	3118	3032	31.626	1.1017		71.59	0.75	0.86
3	A'	3037	2953	19.162	1.035		147.41	0.01	0.02
4	A'	2958	2877	80.375	1.0549		134.36	0.11	0.20
5	A'	1516	1474	1.777	1.0907		3.58	0.63	0.78
6	A'	1493	1451	2.086	1.0514		21.97	0.75	0.85
7	A'	1452	1412	13.659	1.457		5.05	0.53	0.69
8	A'	1390	1352	0.115	1.2361		0.59	0.64	0.78
9	A'	1270	1235	74.154	1.2376		4.46	0.75	0.86
10	A'	1107	1076	30.995	2.4746		5.65	0.65	0.79
11	A'	1036	1007	48.153	2.0683		4.60	0.14	0.24
12	A'	904	879	14.429	2.144		5.10	0.39	0.56
13	A'	403	392	10.042	2.6003		0.30	0.74	0.85
14	A"	3121	3035	34.700	1.1028		58.92	0.75	0.86
15	A"	2986	2903	81.327	1.1078		115.80	0.75	0.86
16	A"	1471	1431	4.533	1.0389		13.55	0.75	0.86
17	A"	1286	1251	0.069	1.1305		9.78	0.75	0.86
18	A"	1168	1135	3.822	1.4915		2.90	0.75	0.86
19	A"	813	790	0.023	1.0783		0.08	0.75	0.86
20	A"	291	283	78.488	1.0674		3.60	0.75	0.86
21	A"	245	239	32.915	1.1543		1.14	0.75	0.86

Unscaled Zero Point Vibrational Energy (zpe) 17404 cm^-1
Scaled (by 0.9724) Zero Point Vibrational Energy (zpe) 16924 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