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Compare vibrational frequencies in CCCBDB for CO2 (Carbon dioxide)

BLYP/6-31G

17 05 22 16 49
Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 Σg 1211 -122 Σg 1333 unperturbed value. FR with 2ν3 gives 1388.15 and 1285.40
2 Σu 2186 -163 Σu 2349  
3 Πu 526 -141 Πu 667  
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.