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Compare vibrational frequencies in CCCBDB for C2H3+ (vinyl cation)

HF/aug-cc-pVQZ

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 A1 3529 3206           
2 A1 2469 2243   26 A1   2217  
3 A1 2118 1924           
4 A1 1001 909           
5 A2 790 718           
6 B1 872 792           
7 B2 3409 3098   -45 B2   3142 different numbering
8 B2 1345 1222           
9 B2 492 447           
The calculated vibrational frequencies were scaled by 0.9085

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.