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

Compare vibrational frequencies in CCCBDB for CH3CHO (Acetaldehyde)

PM3

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1   -3014 A' 3014  
2   -2923 A' 2923  
3   -2716 A' 2716  
4   -1743 A' 1743  
5   -1433 A' 1433  
6   -1395 A' 1395  
7   -1352 A' 1352  
8   -1114 A' 1114  
9   -867 A' 867  
10   -509 A' 509  
11   -2964 A" 2964  
12   -1431 A" 1431  
13   -1102 A" 1102  
14   -764 A" 764  
15   -150 A" 150  
The calculated vibrational frequencies were scaled by 0.974

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.