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Compare vibrational frequencies in CCCBDB for CFCl2 (dichlorofluoromethyl radical)

PBEPBE/STO-3G

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' 1334 1219   76 A'   1143  
2 A' 613 560   -187 A'   747  
3 A' 438 400           
4 A' 236 216           
5 A" 864 789   -130 A"   919  
6 A" 341 312           
The calculated vibrational frequencies were scaled by 0.9136

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.