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Compare vibrational frequencies in CCCBDB for C3O2 (Carbon suboxide)

PBE1PBE/STO-3G

18 11 26 13 55
Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency Scaled
Frequency
Harm.
diff
Fund.
diff
Symmetry Harmonic
Frequency
Fundamental
Frequency
Comment
1 Σg 2350 2073   -123 Σg   2196  
2 Σg 799 705   -81 Σg   786  
3 Σu 2573 2270   12 Σu   2258  
4 Σu 1641 1448   -125 Σu   1573  
5 Πg 525 463   -110 Πg   573  
6 Πu 529 467   -83 Πu   550  
7 Πu 132 117   56 Πu   61  
The calculated vibrational frequencies were scaled by 0.8821

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.