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Compare vibrational frequencies in CCCBDB for FOOF (Perfluoroperoxide)

HF/6-31G(2df,p)

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 A 1179 1068   -142 A   1210  
2 A 1163 1053   423 A   630  
3 A 575 520   160 A   360  
4 A 221 200   -2 A   202  
5 B 1155 1046   432 B   614  
6 B 733 664   198 B   466  
The calculated vibrational frequencies were scaled by 0.9055

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.