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Compare vibrational frequencies in CCCBDB for CH3OH (Methyl alcohol)

MP2/daug-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' 3860 3860   179 A'   3681  
2 A' 3183 3183   183 A'   3000  
3 A' 3054 3054   210 A'   2844  
4 A' 1535 1535   58 A'   1477  
5 A' 1492 1492   37 A'   1455  
6 A' 1373 1373   28 A'   1345  
7 A' 1089 1089   29 A'   1060  
8 A' 1058 1058   25 A'   1033  
9 A" 3125 3125   165 A"   2960  
10 A" 1524 1524   47 A"   1477  
11 A" 1184 1184   19 A"   1165  
12 A" 290 290   90 A"   200  
The calculated vibrational frequencies were scaled by 1

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.