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Compare vibrational frequencies in CCCBDB for ClOOCl (Dichlorine dioxide)

BLYP/6-31G

17 05 22 16 49
Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A 940 190 A 750  
2 A 487 -73 A 560  
3 A 270        
4 A 94        
5 B 480 -173 B 653  
6 B 337 -82 B 419  
The calculated vibrational frequencies were scaled by 0.9924

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.
See section Calculated; Vibrations; Scale Factors; Scale factor uncertainty for information on where the above scaling factor is from.