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

PBE1PBE/6-31G* 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	3279	3116	12.165	1.1158
2	A	3239	3078	14.224	1.0987
3	A	3230	3069	30.930	1.0945
4	A	3221	3061	10.954	1.0906
5	A	3211	3052	0.475	1.0864
6	A	3204	3044	8.361	1.0866
7	A	3196	3037	2.759	1.0667
8	A	3177	3019	15.325	1.084
9	A	1735	1649	8.395	4.6541
10	A	1689	1605	1.479	5.8955
11	A	1661	1579	2.717	5.5304
12	A	1555	1478	10.899	2.3512
13	A	1506	1431	5.640	2.1376
14	A	1473	1400	5.581	1.3132
15	A	1391	1322	0.886	5.0071
16	A	1373	1305	2.531	1.2586
17	A	1338	1271	2.132	1.5359
18	A	1250	1188	2.511	2.319
19	A	1220	1159	0.071	1.1279
20	A	1194	1135	0.119	1.0813
21	A	1129	1073	4.772	1.524
22	A	1074	1021	0.293	1.8795
23	A	1050	998	6.637	1.7227
24	A	1040	988	16.263	1.1225
25	A	1020	969	0.066	5.8134
26	A	1000	951	0.167	1.2553
27	A	974	925	0.019	1.3536
28	A	931	885	8.437	1.4213
29	A	930	884	37.960	1.391
30	A	858	815	0.384	1.2586
31	A	803	763	34.355	2.0554
32	A	796	757	0.259	3.8119
33	A	715	679	35.665	1.3892
34	A	658	626	0.027	2.1091
35	A	632	601	0.030	6.3768
36	A	559	531	4.711	3.2331
37	A	450	427	0.142	4.3527
38	A	447	424	6.048	2.4296
39	A	412	391	0.345	2.8922
40	A	236	224	0.432	3.1341
41	A	206	196	1.797	2.3825
42	A	27	25	0.002	2.3351

Unscaled Zero Point Vibrational Energy (zpe) 29544 cm^-1
Scaled (by 0.9503) Zero Point Vibrational Energy (zpe) 28075 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 C₁