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

Compare vibrational frequencies in CCCBDB for C2H5 (Ethyl radical)

HF/SDD

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A' 2973 -60 A' 3033  
2 A' 2917 75 A' 2842  
3 A' 2847        
4 A' 1473        
5 A' 1432 -8 A' 1440  
6 A' 1405 39 A' 1366  
7 A' 1004 -134 A' 1138  
8 A' 984        
9 A' 418 -110 A' 528  
10 A" 3079 -33 A" 3112  
11 A" 2951 -36 A" 2987  
12 A" 1476 36 A" 1440  
13 A" 1178 3 A" 1175  
14 A" 793        
15 A" 103        
The calculated vibrational frequencies were scaled by 0.9004

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.