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Compare vibrational frequencies in CCCBDB for C4 (Carbon tetramer)

MP3=FULL/3-21G*

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 2122 2122   65 Σg+   2057  
2 Σg 925 925           
3 Σu 1492 1492   -57 Σu   1549  
4 Πg 228i 228i   -551 Πg   323  
5 Πu 114 114   -46 Πu   160  
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.