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

Compare vibrational frequencies in CCCBDB for C2H5 (Ethyl radical)

B3PW91/STO-3G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A' 3042 9 A' 3033  
2 A' 3017 175 A' 2842  
3 A' 2913        
4 A' 1482        
5 A' 1423 -17 A' 1440  
6 A' 1389 23 A' 1366  
7 A' 1015 -123 A' 1138  
8 A' 963        
9 A' 384 -144 A' 528  
10 A" 3166 54 A" 3112  
11 A" 3088 101 A" 2987  
12 A" 1490 50 A" 1440  
13 A" 1149 -26 A" 1175  
14 A" 771        
15 A" 142        
The calculated vibrational frequencies were scaled by 0.885

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.