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Compare vibrational frequencies in CCCBDB for CH3OH (Methyl alcohol)

MP3/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' 3958 3958   277 A'   3681  
2 A' 3178 3178   178 A'   3000  
3 A' 3061 3061   217 A'   2844  
4 A' 1541 1541   64 A'   1477  
5 A' 1512 1512   57 A'   1455  
6 A' 1411 1411   66 A'   1345  
7 A' 1120 1120   60 A'   1060  
8 A' 1089 1089   56 A'   1033  
9 A" 3118 3118   158 A"   2960  
10 A" 1527 1527   50 A"   1477  
11 A" 1201 1201   36 A"   1165  
12 A" 304 304   104 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.