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 CH₃CHCl₂ (Ethane, 1,1-dichloro-) ¹A^' C_s

MP2/STO-3G 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'	3574	3116	0.311	1.1092
2	A'	3437	2997	0.143	1.0918
3	A'	3384	2951	0.053	1.037
4	A'	1694	1477	2.023	1.0457
5	A'	1590	1386	0.191	1.2665
6	A'	1430	1247	17.936	1.3281
7	A'	1201	1048	8.300	2.3881
8	A'	1092	952	10.878	1.5139
9	A'	721	629	10.975	4.4442
10	A'	410	358	5.381	3.8842
11	A'	276	241	4.073	13.1226
12	A"	3566	3109	0.550	1.1089
13	A"	1699	1481	0.707	1.0487
14	A"	1371	1196	55.113	1.2449
15	A"	1195	1042	25.329	1.3596
16	A"	878	765	44.007	3.5399
17	A"	310	271	0.077	3.0947
18	A"	230	200	0.030	1.0383

Unscaled Zero Point Vibrational Energy (zpe) 14030 cm^-1
Scaled (by 0.8719) Zero Point Vibrational Energy (zpe) 12233 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