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Compare vibrational frequencies in CCCBDB for CH3OH (Methyl alcohol)

B1B95/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' 3903 3903   222 A'   3681  
2 A' 3143 3143   143 A'   3000  
3 A' 3019 3019   175 A'   2844  
4 A' 1512 1512   35 A'   1477  
5 A' 1482 1482   27 A'   1455  
6 A' 1374 1374   29 A'   1345  
7 A' 1105 1105   45 A'   1060  
8 A' 1064 1064   31 A'   1033  
9 A" 3072 3072   112 A"   2960  
10 A" 1498 1498   21 A"   1477  
11 A" 1176 1176   11 A"   1165  
12 A" 297 297   97 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.