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Compare vibrational frequencies in CCCBDB for ClSSCl (Disulfur dichloride)

CCD/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 400 388   -158 A   546  
2 A 370 359   -107 A   466  
3 A 137 133   -69 A   202  
4 A 60 59   -36 A   95  
5 B 401 390   -71 B   461  
6 B 168 163   -81 B   244  
The calculated vibrational frequencies were scaled by 0.9723

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.