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Compare vibrational frequencies in CCCBDB for C4 (Carbon tetramer)

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 2145 1892   -165 Σg+   2057  
2 Σg 966 853           
3 Σu 1559 1375   -174 Σu   1549  
4 Πg 216 191   -132 Πg   323  
5 Πu 131 116   -44 Πu   160  
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.