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Compare vibrational frequencies in CCCBDB for HSSSH (trisulfane)

HF/CEP-121G

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 2693 2458   -84 A   2542  
2 A 899 821   -39 A   860  
3 A 464 424   -56 A   480  
4 A 262 239           
5 A 186 170           
6 B 2694 2458   -84 B   2542  
7 B 892 814   -46 B   860  
8 B 494 451   -29 B   480  
9 B 281 257           
The calculated vibrational frequencies were scaled by 0.9125

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.