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Compare vibrational frequencies in CCCBDB for CH3OH (Methyl alcohol)

LSDA/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' 3703 3643   -38 A'   3681  
2 A' 3047 2998   -2 A'   3000  
3 A' 2895 2848   4 A'   2844  
4 A' 1463 1440   -37 A'   1477  
5 A' 1439 1415   -40 A'   1455  
6 A' 1340 1318   -27 A'   1345  
7 A' 1108 1090   30 A'   1060  
8 A' 1047 1030   -3 A'   1033  
9 A" 2940 2892   -68 A"   2960  
10 A" 1441 1418   -59 A"   1477  
11 A" 1138 1120   -45 A"   1165  
12 A" 365 359   159 A"   200  
The calculated vibrational frequencies were scaled by 0.9837

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.