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Compare vibrational frequencies in CCCBDB for SeF6 (Selenium hexafluoride)

BLYP/6-31G

17 05 22 16 49
Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1g 548 -159 A1g 707  
2 Eg 556 -103 Eg 659  
3 T1u 649 -131 T1u 780  
4 T1u 301 -136 T1u 437  
5 T2g 274 -131 T2g 405  
6 T2u 169 -95 T2u 264  
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.