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Compare vibrational frequencies in CCCBDB for C2Cl2 (dichloroacetylene)

B1B95/3-21G*

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 2387 2280   46 Σg+   2234  
2 Σg 482 460   -17 Σg+   477  
3 Σu 1006 960   -28 Σu+   988  
4 Πg 520 496   163 Πg   333  
5 Πu 196 187   15 Πu   172  
The calculated vibrational frequencies were scaled by 0.9549

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.