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Compare vibrational frequencies in CCCBDB for CH3OH (Methyl alcohol)

LSDA/aug-cc-pVTZ

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 A' 3754 3719   38 A'   3681  
2 A' 3046 3017   17 A'   3000  
3 A' 2916 2889   45 A'   2844  
4 A' 1436 1422   -55 A'   1477  
5 A' 1404 1391   -64 A'   1455  
6 A' 1310 1297   -48 A'   1345  
7 A' 1097 1086   26 A'   1060  
8 A' 1021 1012   -21 A'   1033  
9 A" 2970 2942   -18 A"   2960  
10 A" 1420 1406   -71 A"   1477  
11 A" 1127 1116   -49 A"   1165  
12 A" 289 287   87 A"   200  
The calculated vibrational frequencies were scaled by 0.9906

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.