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

Compare vibrational frequencies in CCCBDB for C2H5 (Ethyl radical)

CCSD(T)/6-31G**

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A' 3049 16 A' 3033  
2 A' 2967 125 A' 2842  
3 A' 2887        
4 A' 1457        
5 A' 1445 5 A' 1440  
6 A' 1376 10 A' 1366  
7 A' 1031 -107 A' 1138  
8 A' 965        
9 A' 438 -90 A' 528  
10 A" 3150 38 A" 3112  
11 A" 3009 22 A" 2987  
12 A" 1460 20 A" 1440  
13 A" 1168 -7 A" 1175  
14 A" 783        
15 A" 152        
The calculated vibrational frequencies were scaled by 0.9485

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.