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

Compare vibrational frequencies in CCCBDB for C3H3 (Propargyl radical)

PBEPBE/aug-cc-pVDZ

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1 3391 69 A1 3322  
2 A1 3063        
3 A1 1967        
4 A1 1381        
5 A1 1080        
6 B1 681 -7 B1 687  
7 B1 376 -114 B1 490  
8 B1 295        
9 B2 3161        
10 B2 966        
11 B2 522        
12 B2 297        
The calculated vibrational frequencies were scaled by 0.9939

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.