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Compare vibrational frequencies in CCCBDB for C4 (Carbon tetramer)

B97D3/6-31G

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 2054 2054   -3 Σg+   2057  
2 Σg 889 889           
3 Σu 1490 1490   -59 Σu   1549  
4 Πg 98 98   -225 Πg   323  
5 Πu 116 116   -44 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.