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Compare vibrational frequencies in CCCBDB for SSCl2 (Thiothionyl chloride)

HF/SDD

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' 420 378   -321 A'   699  
2 A' 311 280   -123 A'   403  
3 A' 189 170           
4 A' 153 138           
5 A" 443 399   22 A"   377  
6 A" 140 126           
The calculated vibrational frequencies were scaled by 0.9004

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.