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Compare vibrational frequencies in CCCBDB for SF6 (Sulfur Hexafluoride)

HF/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 A1g 717 648   -126 A1g   774  
2 Eg 691 624   -18 Eg   642  
3 T1u 1033 933   -15 T1u   948  
4 T1u 480 434   -182 T1u   616  
5 T2g 402 363   -162 T2g   525  
6 T2u 274 247   -100 T2u   347  
The calculated vibrational frequencies were scaled by 0.9029

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.