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Compare vibrational frequencies in CCCBDB for CH3OH (Methyl alcohol)

wB97X-D/cc-pVDZ

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' 3886 3702   21 A'   3681  
2 A' 3139 2990   -10 A'   3000  
3 A' 2991 2849   5 A'   2844  
4 A' 1498 1427   -50 A'   1477  
5 A' 1481 1411   -44 A'   1455  
6 A' 1390 1324   -21 A'   1345  
7 A' 1126 1073   13 A'   1060  
8 A' 1083 1032   -1 A'   1033  
9 A" 3048 2904   -56 A"   2960  
10 A" 1481 1411   -66 A"   1477  
11 A" 1172 1117   -48 A"   1165  
12 A" 335 319   119 A"   200  
The calculated vibrational frequencies were scaled by 0.9526

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.