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Calculated Frequencies for SO2 (Sulfur dioxide) 1A1 C2v

BLYP/CEP-31G 1A1 C2V

19 05 15 13 41
InChI=1S/O2S/c1-3-2 INChIKey=RAHZWNYVWXNFOC-UHFFFAOYSA-N
Mode
Number
Symmetry Frequency
(cm-1)
Scaled Frequency
(cm-1)
IR Intensity
(km/mol)
reduced mass
(u)
description Raman Act
4/u)
Dep P Dep U
1 A1 808 804 2.212 18.2818      
2 A1 344 342 20.640 18.2766      
3 B2 871 866 57.483 20.1467      
List of frequencies only

Unscaled Zero Point Vibrational Energy (zpe) 1012 cm-1
Scaled (by 0.9945) Zero Point Vibrational Energy (zpe) 1006 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 C2v

Rep deg. n vib IR R
A1 1 2 active active
A2 1 0 active
B1 1 0 active active
B2 1 1 active active