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Compare vibrational frequencies in CCCBDB for SF5 (Sulfur pentafluoride)

B3LYP/aug-cc-pVDZ

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 838 814   -78 A1   892  
2 A1 583 566   -67 A1   633  
3 A1 459 446   -108 A1   554  
4 B1 391 380           
5 B2 555 539           
6 B2 199 193           
7 E 772 749   -69 E   818  
8 E 443 430   -95 E   525  
9 E 303 294   -93 E   387  
The calculated vibrational frequencies were scaled by 0.9704

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.