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Compare vibrational frequencies in CCCBDB for CH3OH (Methyl alcohol)

BLYP/cc-pVDZ

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' 3618 3624   -57 A'   3681  
2 A' 3015 3020   20 A'   3000  
3 A' 2873 2877   33 A'   2844  
4 A' 1444 1446   -31 A'   1477  
5 A' 1426 1428   -27 A'   1455  
6 A' 1345 1347   2 A'   1345  
7 A' 1051 1053   -7 A'   1060  
8 A' 1009 1010   -23 A'   1033  
9 A" 2907 2912   -48 A"   2960  
10 A" 1422 1424   -53 A"   1477  
11 A" 1116 1118   -47 A"   1165  
12 A" 334 334   134 A"   200  
The calculated vibrational frequencies were scaled by 1.0016

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.