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Compare vibrational frequencies in CCCBDB for C3O2 (Carbon suboxide)

MP4/daug-cc-pVTZ

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 2107 2107   -89 Σg   2196  
2 Σg 738 738   -48 Σg   786  
3 Σu 2343 2343   85 Σu   2258  
4 Σu 1517 1517   -56 Σu   1573  
5 Πg 551 551   -22 Πg   573  
6 Πu 473 473   -77 Πu   550  
7 Πu 69i 69i   -130 Πu   61  
The calculated vibrational frequencies were scaled by 1

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.