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Compare vibrational frequencies in CCCBDB for HNC+ (hydrogen isocyanide cation)

MP2/6-31G(2df,p)

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 Σ 3744 3536   171 Σ   3365  
2 Σ 2819 2663   468 Σ   2195  
3 Π 822 776   199 Π   578 nu2 and nu3 switched
The calculated vibrational frequencies were scaled by 0.9445

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.