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

Compare vibrational frequencies in CCCBDB for C2H5 (Ethyl radical)

MP2=FULL/cc-pVDZ

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A' 3059 26 A' 3033  
2 A' 2987 145 A' 2842  
3 A' 2900        
4 A' 1422        
5 A' 1405 -35 A' 1440  
6 A' 1333 -33 A' 1366  
7 A' 1045 -93 A' 1138  
8 A' 938        
9 A' 436 -92 A' 528  
10 A" 3169 57 A" 3112  
11 A" 3033 46 A" 2987  
12 A" 1414 -26 A" 1440  
13 A" 1144 -31 A" 1175  
14 A" 771        
15 A" 155        
The calculated vibrational frequencies were scaled by 0.9504

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.