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Compare vibrational frequencies in CCCBDB for CH3OH (Methyl alcohol)

CCD/6-311G*

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' 3881 3707   26 A'   3681  
2 A' 3152 3010   10 A'   3000  
3 A' 3017 2881   37 A'   2844  
4 A' 1547 1478   1 A'   1477  
5 A' 1524 1456   1 A'   1455  
6 A' 1430 1366   21 A'   1345  
7 A' 1118 1068   8 A'   1060  
8 A' 1099 1050   17 A'   1033  
9 A" 3074 2936   -24 A"   2960  
10 A" 1532 1463   -14 A"   1477  
11 A" 1198 1144   -21 A"   1165  
12 A" 361 345   145 A"   200  
The calculated vibrational frequencies were scaled by 0.9551

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.