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Compare vibrational frequencies in CCCBDB for CH3OH (Methyl alcohol)

MP2/Def2TZVPP

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' 3884 3696   15 A'   3681  
2 A' 3191 3036   36 A'   3000  
3 A' 3060 2912   68 A'   2844  
4 A' 1536 1461   -16 A'   1477  
5 A' 1499 1426   -29 A'   1455  
6 A' 1385 1318   -27 A'   1345  
7 A' 1100 1047   -13 A'   1060  
8 A' 1066 1014   -19 A'   1033  
9 A" 3128 2977   17 A"   2960  
10 A" 1521 1448   -29 A"   1477  
11 A" 1190 1132   -33 A"   1165  
12 A" 304 290   90 A"   200  
The calculated vibrational frequencies were scaled by 0.9515

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.