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Compare vibrational frequencies in CCCBDB for SF5 (Sulfur pentafluoride)

PBEPBE/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 A1 844 832   -59 A1   892  
2 A1 600 592   -41 A1   633  
3 A1 447 440   -113 A1   554  
4 B1 392 387           
5 B2 565 558           
6 B2 190 187           
7 E 805 794   -23 E   818  
8 E 436 430   -94 E   525  
9 E 300 296   -91 E   387  
The calculated vibrational frequencies were scaled by 0.9863

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.