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Compare vibrational frequencies in CCCBDB for CHFCl (Chlorofluoromethyl radical)

MP2/LANL2DZ

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 3242 3123           
2 A 1281 1234   -49 A   1283  
3 A 1040 1002   -149 A   1151  
4 A 873 841   84 A   757  
5 A 723 696           
6 A 362 348   -192 A   540  
The calculated vibrational frequencies were scaled by 0.9631

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.