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

Compare vibrational frequencies in CCCBDB for CH3OO (methylperoxy radical)

BLYP/3-21G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A' 3069 36 A' 3033  
2 A' 2978 24 A' 2954  
3 A' 1501 48 A' 1453  
4 A' 1392 -16 A' 1408  
5 A' 1106 -77 A' 1183  
6 A' 1021 -96 A' 1117  
7 A' 789 -113 A' 902  
8 A' 421 -61 A' 482  
9 A" 3068 48 A" 3020  
10 A" 1488 47 A" 1441  
11 A" 1050        
12 A" 127 -43 A" 170  
The calculated vibrational frequencies were scaled by 0.9945

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.