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Compare vibrational frequencies in CCCBDB for H2CO+ (formaldehyde cation)

M06-2X/STO-3G

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 3107 3107   527 A1   2580  
2 A1 1544 1544   -131 A1   1675  
3 A1 1312 1312   102 A1   1210  
4 B1 1072 1072   36 B1   1037  
5 B2 3253 3253   535 B2   2718  
6 B2 909 909   85 B2   824  
The calculated vibrational frequencies were scaled by 1

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.