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Compare vibrational frequencies in CCCBDB for ClSSCl (Disulfur dichloride)

QCISD/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 383 371   -175 A   546  
2 A 368 357   -109 A   466  
3 A 135 131   -71 A   202  
4 A 62 60   -35 A   95  
5 B 386 374   -87 B   461  
6 B 165 159   -85 B   244  
The calculated vibrational frequencies were scaled by 0.9692

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.