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Compare vibrational frequencies in CCCBDB for CH2BrCl (Methane, bromochloro-)

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' 3066 3046   43 A'   3003  
2 A' 1459 1450   -32 A'   1482  
3 A' 1235 1226   -5 A'   1231  
4 A' 618 614   -130 A'   744  
5 A' 582 578   -36 A'   614  
6 A' 211 210   -19 A'   229  
7 A" 3149 3128   62 A"   3066  
8 A" 1133 1125   -3 A"   1128  
9 A" 831 826   -26 A"   852  
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.