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Compare vibrational frequencies in CCCBDB for HSSSH (trisulfane)

B3LYP/6-31G

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 2481 2387   -155 A   2542  
2 A 795 765   -95 A   860  
3 A 412 396   -84 A   480  
4 A 280 270           
5 A 162 156           
6 B 2483 2388   -154 B   2542  
7 B 789 759   -101 B   860  
8 B 398 383   -97 B   480  
9 B 299 287           
The calculated vibrational frequencies were scaled by 0.962

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.