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Compare vibrational frequencies in CCCBDB for CH3OH (Methyl alcohol)

CCSD/6-31G(2df,p)

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' 3919 3706   25 A'   3681  
2 A' 3176 3003   3 A'   3000  
3 A' 3054 2887   43 A'   2844  
4 A' 1550 1465   -12 A'   1477  
5 A' 1520 1437   -18 A'   1455  
6 A' 1421 1344   -1 A'   1345  
7 A' 1119 1058   -2 A'   1060  
8 A' 1087 1028   -5 A'   1033  
9 A" 3110 2940   -20 A"   2960  
10 A" 1534 1451   -26 A"   1477  
11 A" 1202 1137   -28 A"   1165  
12 A" 325 307   107 A"   200  
The calculated vibrational frequencies were scaled by 0.9455

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.