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Compare vibrational frequencies in CCCBDB for C2H2 (Acetylene)

MP4=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 3485 3411   37 Σg   3374  
2 Σg 1974 1932   -42 Σg   1974  
3 Σu 3384 3312   23 Σu   3289  
4 Πg 476 466   -146 Πg   612  
5 Πu 725 709   -21 Πu   730  
The calculated vibrational frequencies were scaled by 0.9788

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.