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Compare vibrational frequencies in CCCBDB for ClFO3 (Perchloryl fluoride)

PBEPBE/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 681 672   -389 A1   1061  
2 A1 487 481   -234 A1   715  
3 A1 283 279   -270 A1   549  
4 E 790 779   -536 E   1315  
5 E 302 298   -291 E   589  
6 E 182 179   -226 E   405  
The calculated vibrational frequencies were scaled by 0.9862

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.