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

BLYP/6-31G

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' 3100 3077   74 A'   3003  
2 A' 1428 1417   -65 A'   1482  
3 A' 1222 1212   -19 A'   1231  
4 A' 610 606   -138 A'   744  
5 A' 537 533   -81 A'   614  
6 A' 203 201   -28 A'   229  
7 A" 3206 3182   116 A"   3066  
8 A" 1099 1090   -38 A"   1128  
9 A" 822 815   -37 A"   852  
The calculated vibrational frequencies were scaled by 0.9924

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.