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

Compare vibrational frequencies in CCCBDB for CH3CO (Acetyl radical)

MP2/CEP-121G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A' 3039        
2 A' 2914        
3 A' 2551 676 A' 1875 matrix
4 A' 1449 29 A' 1420 matrix
5 A' 1377        
6 A' 1017        
7 A' 770        
8 A' 427        
9 A" 3042        
10 A" 1447        
11 A" 947        
12 A" 72        
The calculated vibrational frequencies were scaled by 0.976

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.