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Compare vibrational frequencies in CCCBDB for CFCl2 (dichlorofluoromethyl radical)

wB97X-D/Def2TZVPP

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' 1199 1145   2 A'   1143  
2 A' 602 575   -172 A'   747  
3 A' 461 440           
4 A' 286 273           
5 A" 931 889   -30 A"   919  
6 A" 388 370           
The calculated vibrational frequencies were scaled by 0.9552

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.