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Compare vibrational frequencies in CCCBDB for SF5 (Sulfur pentafluoride)

MP2/STO-3G

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 1156 1008   116 A1   892  
2 A1 622 542   -91 A1   633  
3 A1 399 348   -206 A1   554  
4 B1 309 270           
5 B2 1045 912           
6 B2 328 286           
7 E 2109 1839   1021 E   818  
8 E 410 357   -167 E   525  
9 E 341 297   -90 E   387  
The calculated vibrational frequencies were scaled by 0.8719

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.