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Compare vibrational frequencies in CCCBDB for CBrCl2F (bromodichlorofluoromethane)

B3LYPultrafine/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' 1145 1105   25 A'   1080  
2 A' 739 713   -83 A'   796  
3 A' 422 407   -95 A'   502  
4 A' 309 298   -41 A'   339  
5 A' 273 263   -43 A'   306  
6 A' 198 191   -27 A'   218  
7 A" 692 668   -170 A"   838  
8 A" 338 327   -65 A"   392  
9 A" 186 180   -24 A"   204  
The calculated vibrational frequencies were scaled by 0.9649

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.