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Compare vibrational frequencies in CCCBDB for SF5 (Sulfur pentafluoride)

QCISD(T)/cc-pVTZ

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 A1 905 858   -33 A1   892  
2 B1 461 437   -196 A1   633  
3 E 860 815   262 A1   554  
4 E 860 815           
5 E 649 616           
6 E 607 576           
7 E 557 528   -290 E   818  
8 E 524 497   -28 E   525  
9 E 358 339   -48 E   387  
The calculated vibrational frequencies were scaled by 0.9486

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.