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IV.C.1. (XIII.D.1.)

Compare vibrational frequencies in CCCBDB for CH3OH (Methyl alcohol)

PBEPBE/3-21G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A' 3315 -366 A' 3681  
2 A' 3025 25 A' 3000  
3 A' 2870 26 A' 2844  
4 A' 1524 47 A' 1477  
5 A' 1467 12 A' 1455  
6 A' 1358 13 A' 1345  
7 A' 1048 -12 A' 1060  
8 A' 957 -76 A' 1033  
9 A" 2902 -58 A" 2960  
10 A" 1502 25 A" 1477  
11 A" 1109 -56 A" 1165  
12 A" 390 190 A" 200  
The calculated vibrational frequencies were scaled by 0.9909

See section XIII.C.3 List or set vibrational scaling factors to change the scale factors used here.
See section III.B.3.c Calculate a vibrational scaling factor for a set of molecules to determine the least squares best scaling factor.
See section III.B.3.b List of vibrational scaling factors and their uncertainties for information on where the above scaling factor is from.