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Compare vibrational frequencies in CCCBDB for HSSSH (trisulfane)

CCD/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 2427 2329   -213 A   2542  
2 A 792 760   -100 A   860  
3 A 382 367   -113 A   480  
4 A 251 240           
5 A 158 152           
6 B 2429 2330   -212 B   2542  
7 B 788 756   -104 B   860  
8 B 390 374   -106 B   480  
9 B 271 260           
The calculated vibrational frequencies were scaled by 0.9595

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.