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Compare vibrational frequencies in CCCBDB for CBrCl2F (bromodichlorofluoromethane)

PBEPBE/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' 1126 1116   36 A'   1080  
2 A' 717 711   -85 A'   796  
3 A' 417 414   -88 A'   502  
4 A' 304 301   -38 A'   339  
5 A' 268 266   -40 A'   306  
6 A' 194 192   -26 A'   218  
7 A" 666 660   -178 A"   838  
8 A" 331 328   -64 A"   392  
9 A" 182 181   -23 A"   204  
The calculated vibrational frequencies were scaled by 0.9909

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.