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

Compare vibrational frequencies in CCCBDB for C3O2 (Carbon suboxide)

B3PW91/6-31G**

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 Σg 2199 3 Σg 2196  
2 Σg 758 -28 Σg 786  
3 Σu 2338 80 Σu 2258  
4 Σu 1592 19 Σu 1573  
5 Πg 558 -15 Πg 573  
6 Πu 565 15 Πu 550  
7 Πu 117 56 Πu 61  
The calculated vibrational frequencies were scaled by 0.9584

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.