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 (Styrene) ¹A^' C_s

HF/CEP-31G 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'	3440	3101	54.060	1.1137
2	A'	3419	3082	15.674	1.1019
3	A'	3407	3071	68.902	1.0978
4	A'	3393	3058	58.078	1.0951
5	A'	3376	3043	2.366	1.0902
6	A'	3366	3034	14.951	1.0861
7	A'	3362	3030	10.143	1.0886
8	A'	3342	3012	17.250	1.0668
9	A'	1837	1656	8.524	4.3414
10	A'	1796	1619	8.263	5.2157
11	A'	1766	1592	6.373	4.9632
12	A'	1656	1493	18.335	2.1068
13	A'	1607	1449	2.342	1.574
14	A'	1582	1426	11.284	1.5029
15	A'	1490	1343	2.055	1.2769
16	A'	1455	1311	0.135	1.3432
17	A'	1387	1250	4.633	3.4993
18	A'	1320	1190	2.401	2.4503
19	A'	1314	1184	0.187	1.1503
20	A'	1272	1147	0.512	1.302
21	A'	1195	1077	6.479	1.6609
22	A'	1138	1026	1.246	1.576
23	A'	1115	1005	6.537	2.3794
24	A'	1081	975	0.705	5.6107
25	A'	834	751	0.234	4.036
26	A'	675	609	0.071	6.4875
27	A'	597	539	5.254	3.2268
28	A'	474	427	0.103	4.5143
29	A'	250	225	0.354	3.1837
30	A"	1179	1063	15.336	1.2872
31	A"	1157	1043	0.050	1.3411
32	A"	1147	1034	0.263	1.3919
33	A"	1091	984	88.711	1.3388
34	A"	1085	978	9.236	1.3859
35	A"	996	898	0.432	1.2521
36	A"	910	821	78.194	1.6358
37	A"	801	722	50.757	1.4108
38	A"	726	654	1.110	2.1079
39	A"	496	447	15.075	2.3491
40	A"	456	411	0.618	2.7213
41	A"	233	210	3.689	2.3768
42	A"	59	53	0.012	2.3919

Unscaled Zero Point Vibrational Energy (zpe) 31641 cm^-1
Scaled (by 0.9014) Zero Point Vibrational Energy (zpe) 28521 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