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Compare vibrational frequencies in CCCBDB for SF5 (Sulfur pentafluoride)

MP2/SDD

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 1016 980   89 A1   892  
2 A1 592 571   -62 A1   633  
3 A1 331 320   -234 A1   554  
4 B1 327 316           
5 B2 2900 2800           
6 B2 258 249           
7 E 946 914   96 E   818  
8 E 382 369   -156 E   525  
9 E 258 249   -139 E   387  
The calculated vibrational frequencies were scaled by 0.9653

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.