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Compare vibrational frequencies in CCCBDB for SeF4 (Selenium tetrafluoride)

CISD/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 A1 726 680   -67 A1   747  
2 A1 601 564   -7 A1   571  
3 A1 361 339   -22 A1   361 reassigned from 7
4 A1 110 103   -53 A1   156  
5 A2 373 350    A2      
6 B1 749 702   -31 B1   733  
7 B1 271 254   4 B1   250 reassigned from 9
8 B2 689 646   24 B2   622  
9 B2 391 366   -43 B2   409 reassigned from 3
The calculated vibrational frequencies were scaled by 0.9378

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.