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Compare vibrational frequencies in CCCBDB for CHFClBr (fluorochlorobromomethane)

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 A 3078 3058   33 A   3026  
2 A 1290 1282   -29 A   1311  
3 A 1198 1191   -14 A   1205  
4 A 1055 1048   -30 A   1078  
5 A 622 618   -169 A   788  
6 A 615 611   -53 A   664  
7 A 367 364   -63 A   427  
8 A 277 275   -40 A   315  
9 A 206 205   -21 A   226  
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.