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Compare vibrational frequencies in CCCBDB for SF5 (Sulfur pentafluoride)

BLYP/6-31G

17 05 22 16 49
Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1 688 -204 A1 892  
2 A1 492 -141 A1 633  
3 A1 198 -356 A1 554  
4 B1 257        
5 B2 458        
6 B2 63        
7 E 641 -177 E 818  
8 E 256 -268 E 525  
9 E 183 -205 E 387  
The calculated vibrational frequencies were scaled by 0.9924

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.