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Compare vibrational frequencies in CCCBDB for SO3 (Sulfur trioxide)

PBE1PBE/6-31G

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 A1' 804 768   -297 A1'   1065  
2 A2" 298 285   -213 A2"   498  
3 E' 1029 984   -407 E'   1391  
4 E' 357 341   -189 E'   530  
The calculated vibrational frequencies were scaled by 0.9559

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.