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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' 1075 1025   -55 A'   1080  
2 A' 714 681   -115 A'   796  
3 A' 454 433   -69 A'   502  
4 A' 311 296   -43 A'   339  
5 A' 284 271   -35 A'   306  
6 A' 205 196   -22 A'   218  
7 A" 687 655   -183 A"   838  
8 A" 346 330   -62 A"   392  
9 A" 195 186   -18 A"   204  
The calculated vibrational frequencies were scaled by 0.9535

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.