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Compare vibrational frequencies in CCCBDB for CH3OH (Methyl alcohol)

B2PLYP=FULLultrafine/6-31G**

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' 3872 3872   191 A'   3681  
2 A' 3177 3177   177 A'   3000  
3 A' 3039 3039   195 A'   2844  
4 A' 1552 1552   75 A'   1477  
5 A' 1520 1520   65 A'   1455  
6 A' 1400 1400   55 A'   1345  
7 A' 1105 1105   45 A'   1060  
8 A' 1073 1073   40 A'   1033  
9 A" 3094 3094   134 A"   2960  
10 A" 1536 1536   59 A"   1477  
11 A" 1195 1195   30 A"   1165  
12 A" 340 340   140 A"   200  
The calculated vibrational frequencies were scaled by 1

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.