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Compare vibrational frequencies in CCCBDB for CH3OH (Methyl alcohol)

TPSSh/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' 3744 3641   -40 A'   3681  
2 A' 3112 3026   26 A'   3000  
3 A' 2970 2888   44 A'   2844  
4 A' 1500 1459   -18 A'   1477  
5 A' 1474 1433   -22 A'   1455  
6 A' 1382 1344   -1 A'   1345  
7 A' 1083 1054   -6 A'   1060  
8 A' 1051 1022   -11 A'   1033  
9 A" 3017 2934   -26 A"   2960  
10 A" 1484 1443   -34 A"   1477  
11 A" 1156 1124   -41 A"   1165  
12 A" 339 330   130 A"   200  
The calculated vibrational frequencies were scaled by 0.9724

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.