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Compare vibrational frequencies in CCCBDB for CBr2Cl2 (dibromodichloromethane)

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 624 620   -113 A1   733  
2 A1 346 344   -36 A1   380  
3 A1 225 224   -18 A1   242  
4 A1 144 143   -11 A1   154  
5 A2 163 162   -13 A2   175  
6 B1 632 628   -55 B1   683  
7 B1 214 213   -16 B1   229  
8 B2 611 607   -161 B2   768  
9 B2 243 242   -20 B2   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.