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Compare vibrational frequencies in CCCBDB for CDCl3 (trichloromethane-d)

BLYP/3-21G*

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 2296 2281   15 A1   2266  
2 A1 596 592   -67 A1   659  
3 A1 336 333   -36 A1   369  
4 E 887 881   -33 E   914  
5 E 611 607   -142 E   749  
6 E 243 241   -21 E   262  
The calculated vibrational frequencies were scaled by 0.9935

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.