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/aug-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'	3392	3089	15.579	1.1155
2	A'	3365	3064	5.321	1.0979
3	A'	3357	3057	29.881	1.0973
4	A'	3344	3045	27.130	1.094
5	A'	3333	3035	0.918	1.0899
6	A'	3325	3028	7.375	1.0868
7	A'	3315	3019	3.580	1.0883
8	A'	3302	3006	8.005	1.0653
9	A'	1838	1673	14.256	4.4617
10	A'	1789	1629	7.159	5.4019
11	A'	1760	1602	5.309	5.1294
12	A'	1644	1497	14.497	2.2343
13	A'	1589	1447	4.218	1.9055
14	A'	1557	1418	7.738	1.3481
15	A'	1459	1328	1.591	1.2733
16	A'	1427	1300	0.963	1.3583
17	A'	1337	1217	4.295	2.056
18	A'	1297	1181	0.477	2.2464
19	A'	1284	1170	0.001	1.1356
20	A'	1211	1103	3.102	1.7862
21	A'	1176	1071	2.656	1.6727
22	A'	1127	1026	0.024	1.6662
23	A'	1107	1008	3.912	2.074
24	A'	1077	981	0.248	5.5607
25	A'	833	758	0.072	3.9409
26	A'	674	614	0.052	6.3801
27	A'	595	541	6.991	3.206
28	A'	475	432	0.127	4.4867
29	A'	253	231	0.550	3.1494
30	A"	1119	1019	13.724	1.1717
31	A"	1091	994	0.005	1.3105
32	A"	1087	990	0.001	1.3783
33	A"	1057	962	55.153	1.3214
34	A"	1024	933	3.047	1.462
35	A"	934	851	0.175	1.2554
36	A"	871	793	41.781	1.9439
37	A"	769	700	52.698	1.3568
38	A"	707	644	0.158	2.1027
39	A"	489	445	12.231	2.3502
40	A"	449	409	0.265	2.8123
41	A"	224	204	2.491	2.4051
42	A"	41	38	0.003	2.3375

Unscaled Zero Point Vibrational Energy (zpe) 31051 cm^-1
Scaled (by 0.9106) Zero Point Vibrational Energy (zpe) 28275 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