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Compare vibrational frequencies in CCCBDB for SOCl2 (thionyl chloride)

MP2=FULL/3-21G*

17 05 22 16 49
Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A' 1237 -14 A' 1251  
2 A' 423 -69 A' 492  
3 A' 289 -55 A' 344  
4 A' 169 -25 A' 194  
5 A" 361 -94 A" 455  
6 A" 223 -61 A" 284  
The calculated vibrational frequencies were scaled by 0.948

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.