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IV.C.1. (XIII.D.1.)

Compare vibrational frequencies in CCCBDB for FOOF (Perfluoroperoxide)

B3LYP/SDD

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A 932 -278 A 1210  
2 A 668 38 A 630  
3 A 417 57 A 360  
4 A 192 -10 A 202  
5 B 734 120 B 614  
6 B 497 31 B 466  
The calculated vibrational frequencies were scaled by 0.9613

See section XIII.C.3 List or set vibrational scaling factors to change the scale factors used here.
See section III.B.3.c Calculate a vibrational scaling factor for a set of molecules to determine the least squares best scaling factor.
See section III.B.3.b List of vibrational scaling factors and their uncertainties for information on where the above scaling factor is from.