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Compare vibrational frequencies in CCCBDB for CH3OH (Methyl alcohol)

MP2=FULL/6-311G**

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' 3929 3727   46 A'   3681  
2 A' 3189 3025   25 A'   3000  
3 A' 3051 2894   50 A'   2844  
4 A' 1537 1458   -19 A'   1477  
5 A' 1518 1440   -15 A'   1455  
6 A' 1404 1332   -13 A'   1345  
7 A' 1116 1059   -1 A'   1060  
8 A' 1090 1034   1 A'   1033  
9 A" 3116 2956   -4 A"   2960  
10 A" 1518 1440   -37 A"   1477  
11 A" 1198 1136   -29 A"   1165  
12 A" 347 329   129 A"   200  
The calculated vibrational frequencies were scaled by 0.9486

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.