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Compare vibrational frequencies in CCCBDB for HSSSH (trisulfane)

BLYP/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 2528 2508   -34 A   2542  
2 A 839 832   -28 A   860  
3 A 434 430   -50 A   480  
4 A 327 325           
5 A 186 185           
6 B 2527 2507   -35 B   2542  
7 B 824 818   -42 B   860  
8 B 397 394   -86 B   480  
9 B 348 345           
The calculated vibrational frequencies were scaled by 0.9919

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.