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

Compare vibrational frequencies in CCCBDB for C2H5 (Ethyl radical)

B1B95/STO-3G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A' 3035 2 A' 3033  
2 A' 3006 164 A' 2842  
3 A' 2905        
4 A' 1473        
5 A' 1417 -23 A' 1440  
6 A' 1380 14 A' 1366  
7 A' 1014 -124 A' 1138  
8 A' 954        
9 A' 391 -137 A' 528  
10 A" 3155 43 A" 3112  
11 A" 3083 96 A" 2987  
12 A" 1481 40 A" 1440  
13 A" 1144 -31 A" 1175  
14 A" 766        
15 A" 147        
The calculated vibrational frequencies were scaled by 0.883

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.