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Compare vibrational frequencies in CCCBDB for CH3OH (Methyl alcohol)

B3LYP/Sadlej_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' 3835 3727   46 A'   3681  
2 A' 3106 3018   18 A'   3000  
3 A' 2981 2897   53 A'   2844  
4 A' 1487 1445   -32 A'   1477  
5 A' 1466 1425   -30 A'   1455  
6 A' 1361 1323   -22 A'   1345  
7 A' 1075 1045   -15 A'   1060  
8 A' 1049 1020   -13 A'   1033  
9 A" 3038 2952   -8 A"   2960  
10 A" 1476 1434   -43 A"   1477  
11 A" 1157 1124   -41 A"   1165  
12 A" 314 305   105 A"   200  
The calculated vibrational frequencies were scaled by 0.9717

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.