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Compare vibrational frequencies in CCCBDB for CFCl2 (dichlorofluoromethyl radical)

CID/3-21G

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' 1239 1154   11 A'   1143  
2 A' 544 507   -240 A'   747  
3 A' 406 378           
4 A' 249 232           
5 A" 793 739   -180 A"   919  
6 A" 334 311           
The calculated vibrational frequencies were scaled by 0.9316

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.