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Compare vibrational frequencies in CCCBDB for CH3OH (Methyl alcohol)

BLYP/6-31+G**

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' 3685 3665   -16 A'   3681  
2 A' 3053 3037   37 A'   3000  
3 A' 2920 2905   61 A'   2844  
4 A' 1470 1462   -15 A'   1477  
5 A' 1441 1433   -22 A'   1455  
6 A' 1319 1312   -33 A'   1345  
7 A' 1037 1032   -28 A'   1060  
8 A' 984 979   -54 A'   1033  
9 A" 2967 2952   -8 A"   2960  
10 A" 1459 1451   -26 A"   1477  
11 A" 1134 1128   -37 A"   1165  
12 A" 308 306   106 A"   200  
The calculated vibrational frequencies were scaled by 0.9947

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.