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Compare vibrational frequencies in CCCBDB for CHFCl (Chlorofluoromethyl radical)

B97D3/aug-cc-pVDZ

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 3098 3098           
2 A 1239 1239   -44 A   1283  
3 A 1091 1091   -60 A   1151  
4 A 827 827   70 A   757  
5 A 705 705           
6 A 390 390   -150 A   540  
The calculated vibrational frequencies were scaled by 1

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.