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

Compare vibrational frequencies in CCCBDB for CH3OH (Methyl alcohol)

B1B95/3-21G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A' 3392 -289 A' 3681  
2 A' 3011 11 A' 3000  
3 A' 2888 44 A' 2844  
4 A' 1513 36 A' 1477  
5 A' 1461 6 A' 1455  
6 A' 1335 -10 A' 1345  
7 A' 1043 -17 A' 1060  
8 A' 965 -68 A' 1033  
9 A" 2928 -32 A" 2960  
10 A" 1495 18 A" 1477  
11 A" 1110 -55 A" 1165  
12 A" 368 168 A" 200  
The calculated vibrational frequencies were scaled by 0.9567

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.