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Compare vibrational frequencies in CCCBDB for CH3OH (Methyl alcohol)

B3PW91/cc-pVTZ

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' 3863 3715   34 A'   3681  
2 A' 3112 2993   -7 A'   3000  
3 A' 2989 2874   30 A'   2844  
4 A' 1506 1448   -29 A'   1477  
5 A' 1476 1419   -36 A'   1455  
6 A' 1375 1322   -23 A'   1345  
7 A' 1096 1053   -7 A'   1060  
8 A' 1059 1018   -15 A'   1033  
9 A" 3037 2921   -39 A"   2960  
10 A" 1490 1433   -44 A"   1477  
11 A" 1171 1126   -39 A"   1165  
12 A" 301 290   90 A"   200  
The calculated vibrational frequencies were scaled by 0.9616

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.