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Compare vibrational frequencies in CCCBDB for ClOOCl (Dichlorine dioxide)

LSDA/6-311G*

18 11 26 13 55
Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency Scaled
Frequency
Harm.
diff
Fund.
diff
Symmetry Harmonic
Frequency
Fundamental
Frequency
Comment
1 A 1232 1212   462 A   750  
2 A 551 542   -18 A   560  
3 A 300 295           
4 A 107 106           
5 B 551 542   -111 B   653  
6 B 380 373   -45 B   419  
The calculated vibrational frequencies were scaled by 0.9837

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.