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Compare vibrational frequencies in CCCBDB for CH3OH (Methyl alcohol)

B3PW91/6-31+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' 3878 3723   42 A'   3681  
2 A' 3145 3020   20 A'   3000  
3 A' 3008 2888   44 A'   2844  
4 A' 1510 1450   -27 A'   1477  
5 A' 1483 1424   -31 A'   1455  
6 A' 1357 1303   -42 A'   1345  
7 A' 1093 1049   -11 A'   1060  
8 A' 1059 1016   -17 A'   1033  
9 A" 3065 2943   -17 A"   2960  
10 A" 1498 1438   -39 A"   1477  
11 A" 1175 1128   -37 A"   1165  
12 A" 318 305   105 A"   200  
The calculated vibrational frequencies were scaled by 0.9601

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.