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Compare vibrational frequencies in CCCBDB for CH3OH (Methyl alcohol)

PBEPBE/6-311G*

17 05 22 16 49
Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A' 3634 -47 A' 3681  
2 A' 3017 17 A' 3000  
3 A' 2869 25 A' 2844  
4 A' 1465 -12 A' 1477  
5 A' 1438 -17 A' 1455  
6 A' 1347 2 A' 1345  
7 A' 1054 -6 A' 1060  
8 A' 1024 -9 A' 1033  
9 A" 2909 -51 A" 2960  
10 A" 1445 -32 A" 1477  
11 A" 1127 -38 A" 1165  
12 A" 353 153 A" 200  
The calculated vibrational frequencies were scaled by 0.9896

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.