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Compare vibrational frequencies in CCCBDB for CH3OH (Methyl alcohol)

LSDA/6-31G

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       -3681 A'   3681  
2       -3000 A'   3000  
3       -2844 A'   2844  
4       -1477 A'   1477  
5       -1455 A'   1455  
6       -1345 A'   1345  
7       -1060 A'   1060  
8       -1033 A'   1033  
9       -2960 A"   2960  
10       -1477 A"   1477  
11       -1165 A"   1165  
12       -200 A"   200  
The calculated vibrational frequencies were scaled by 0.9797

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.