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Compare vibrational frequencies in CCCBDB for CO2 (Carbon dioxide)

QCISD/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 Σg 1235 1190 -116 -143 Σg 1351 1333 unperturbed value
2 Σu 2174 2095 -222 -254 Σu 2396 2349  
3 Πu 536 516 -137 -151 Πu 672 667  
The calculated vibrational frequencies were scaled by 0.9636

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.