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Compare vibrational frequencies in CCCBDB for C2Cl2 (dichloroacetylene)

PBEPBE/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 2330 2309   75 Σg+   2234  
2 Σg 429 425   -52 Σg+   477  
3 Σu 894 886   -102 Σu+   988  
4 Πg 556 551   218 Πg   333  
5 Πu 193 191   19 Πu   172  
The calculated vibrational frequencies were scaled by 0.9909

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.