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 B₂Cl₄ (Diboron tetrachloride) ¹A₁ D₂

QCISD/3-21G ¹A₁ D2

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	A1	1136	1101	0.000	11.1981
2	A1	375	364	0.000	33.4225
3	A1	176	171	0.000	34.7162
4	B1	24	23	0.000	34.9689
5	B2	670	650	146.717	13.3825
6	B2	293	284	4.382	27.5937
7	E	821	796	518.084	12.3336
8	E	500	484	25.384	11.9892
9	E	102	99	5.717	27.986

Unscaled Zero Point Vibrational Energy (zpe) 2760 cm^-1
Scaled (by 0.9692) Zero Point Vibrational Energy (zpe) 2675 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 D_2d