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

Compare vibrational frequencies in CCCBDB for CH3CO (Acetyl radical)

MP2=FULL/3-21G*

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A' 3020        
2 A' 2932        
3 A' 2384 509 A' 1875 matrix
4 A' 1478 58 A' 1420 matrix
5 A' 1370        
6 A' 1015        
7 A' 695        
8 A' 411        
9 A" 3021        
10 A" 1486        
11 A" 961        
12 A" 95        
The calculated vibrational frequencies were scaled by 0.948

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.