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Compare vibrational frequencies in CCCBDB for SeF6 (Selenium hexafluoride)

PBEPBE/3-21G

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 625 619   -88 A1g   707  
2 Eg 621 615   -44 Eg   659  
3 T1u 726 719   -61 T1u   780  
4 T1u 331 328   -109 T1u   437  
5 T2g 299 297   -108 T2g   405  
6 T2u 178 176   -88 T2u   264  
The calculated vibrational frequencies were scaled by 0.9909

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.