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Compare vibrational frequencies in CCCBDB for CH3OH (Methyl alcohol)

HF/CEP-121G*

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' 4146 3745   64 A'   3681  
2 A' 3295 2977   -23 A'   3000  
3 A' 3170 2864   20 A'   2844  
4 A' 1644 1485   8 A'   1477  
5 A' 1617 1461   6 A'   1455  
6 A' 1493 1349   4 A'   1345  
7 A' 1170 1057   -3 A'   1060  
8 A' 1149 1038   5 A'   1033  
9 A" 3225 2913   -47 A"   2960  
10 A" 1633 1476   -1 A"   1477  
11 A" 1276 1153   -12 A"   1165  
12 A" 345 311   111 A"   200  
The calculated vibrational frequencies were scaled by 0.9034

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.