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

Compare vibrational frequencies in CCCBDB for C3O2 (Carbon suboxide)

mPW1PW91/6-31+G**

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 Σg 2191 -5 Σg 2196  
2 Σg 756 -30 Σg 786  
3 Σu 2317 59 Σu 2258  
4 Σu 1590 17 Σu 1573  
5 Πg 574 1 Πg 573  
6 Πu 669 119 Πu 550  
7 Πu 156 95 Πu 61  
The calculated vibrational frequencies were scaled by 0.9518

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.