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Compare vibrational frequencies in CCCBDB for C3O2 (Carbon suboxide)

LSDA/6-31G**

17 05 22 16 49
Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 Σg 2227 31 Σg 2196  
2 Σg 765 -21 Σg 786  
3 Σu 2403 145 Σu 2258  
4 Σu 1605 32 Σu 1573  
5 Πg 545 -28 Πg 573  
6 Πu 574 24 Πu 550  
7 Πu 139 78 Πu 61  
The calculated vibrational frequencies were scaled by 0.9813

See section Calculated; Vibrations; Scale Factors; Set scaling factors to change the scale factors used here.
See section Calculated; Vibrations; Scale Factors; Calculate a scale factor to determine the least squares best scaling factor.
See section Calculated; Vibrations; Scale Factors; Scale factor uncertainty for information on where the above scaling factor is from.