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

PBEPBE/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'	227	226	0.456	3.0885
2	A'	436	432	0.121	4.3547
3	A'	540	536	4.712	3.2131
4	A'	610	605	0.048	6.3855
5	A'	762	756	0.109	3.9071
6	A'	962	954	0.103	5.6097
7	A'	1006	998	5.612	1.7309
8	A'	1029	1020	0.960	1.9163
9	A'	1081	1072	5.260	1.5287
10	A'	1147	1137	0.138	1.0706
11	A'	1166	1157	0.211	1.1488
12	A'	1195	1185	1.984	2.2493
13	A'	1282	1271	1.108	1.4832
14	A'	1313	1302	2.767	1.2679
15	A'	1344	1333	1.079	5.8327
16	A'	1404	1393	5.103	1.3221
17	A'	1436	1424	4.468	2.1469
18	A'	1481	1469	8.160	2.3185
19	A'	1571	1558	2.372	5.4494
20	A'	1596	1583	0.895	5.8704
21	A'	1637	1623	16.771	4.6536
22	A'	3057	3032	13.624	1.0848
23	A'	3075	3050	2.988	1.063
24	A'	3084	3059	7.071	1.0841
25	A'	3092	3067	0.663	1.085
26	A'	3102	3077	7.140	1.0891
27	A'	3110	3085	26.980	1.0936
28	A'	3120	3095	12.755	1.0978
29	A'	3157	3131	9.460	1.1147
30	A"	34	34	0.004	2.3617
31	A"	198	196	1.805	2.3784
32	A"	394	391	0.279	2.8047
33	A"	429	425	9.268	2.3399
34	A"	632	626	0.028	2.1248
35	A"	683	678	39.063	1.3789
36	A"	771	765	33.562	2.0551
37	A"	825	818	0.375	1.2576
38	A"	892	885	37.899	1.3746
39	A"	901	893	3.336	1.4386
40	A"	955	947	0.009	1.3748
41	A"	968	960	0.529	1.2651
42	A"	993	985	15.063	1.1307

Unscaled Zero Point Vibrational Energy (zpe) 28350 cm^-1
Scaled (by 0.9918) Zero Point Vibrational Energy (zpe) 28117 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