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Compare vibrational frequencies in CCCBDB for FOOF (Perfluoroperoxide)

MP2=FULL/3-21G*

17 05 22 16 49
Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A 872 -338 A 1210  
2 A 759 129 A 630  
3 A 347 -13 A 360  
4 A 134 -68 A 202  
5 B 883 269 B 614  
6 B 442 -24 B 466  
The calculated vibrational frequencies were scaled by 0.948

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.