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Compare vibrational frequencies in CCCBDB for CH3OH (Methyl alcohol)

wB97X-D/3-21G*

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' 3608 3420   -261 A'   3681  
2 A' 3160 2995   -5 A'   3000  
3 A' 3019 2862   18 A'   2844  
4 A' 1590 1507   30 A'   1477  
5 A' 1535 1454   -1 A'   1455  
6 A' 1410 1336   -9 A'   1345  
7 A' 1100 1043   -17 A'   1060  
8 A' 1018 965   -68 A'   1033  
9 A" 3062 2902   -58 A"   2960  
10 A" 1574 1492   15 A"   1477  
11 A" 1170 1109   -56 A"   1165  
12 A" 374 355   155 A"   200  
The calculated vibrational frequencies were scaled by 0.9478

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.