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 CF₃CHF₂ (pentafluoroethane) ¹A^' C_s

PBEPBEultrafine/cc-pVTZ 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'	2997	2976	23.025	1.0867
2	A'	1372	1363	0.700	2.0329
3	A'	1250	1241	140.285	3.5964
4	A'	1136	1128	186.290	5.5229
5	A'	1101	1093	132.035	8.1731
6	A'	832	826	41.284	6.0265
7	A'	695	691	29.322	12.298
8	A'	555	551	11.810	9.8273
9	A'	498	495	5.223	15.0107
10	A'	346	343	0.025	17.7832
11	A'	231	229	3.090	14.2035
12	A"	1316	1306	5.885	1.1828
13	A"	1151	1143	389.256	13.2179
14	A"	1089	1081	75.736	6.353
15	A"	557	553	0.212	16.3861
16	A"	395	393	0.602	15.2618
17	A"	200	199	1.924	18.6134
18	A"	67	67	0.653	13.4005

Unscaled Zero Point Vibrational Energy (zpe) 7893 cm^-1
Scaled (by 0.9931) Zero Point Vibrational Energy (zpe) 7839 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