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

Compare vibrational frequencies in CCCBDB for CH3CO (Acetyl radical)

QCISD/6-31G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A' 2988        
2 A' 2902        
3 A' 1481 -394 A' 1875 matrix
4 A' 1453 33 A' 1420 matrix
5 A' 1373        
6 A' 1057        
7 A' 830        
8 A' 443        
9 A" 2997        
10 A" 1462        
11 A" 969        
12 A" 78        
The calculated vibrational frequencies were scaled by 0.9636

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.