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Compare vibrational frequencies in CCCBDB for CH3OH (Methyl alcohol)

HF/CEP-121G

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' 4045 3691   10 A'   3681  
2 A' 3298 3010   10 A'   3000  
3 A' 3146 2871   27 A'   2844  
4 A' 1641 1497   20 A'   1477  
5 A' 1605 1464   9 A'   1455  
6 A' 1440 1314   -31 A'   1345  
7 A' 1125 1027   -33 A'   1060  
8 A' 1114 1016   -17 A'   1033  
9 A" 3226 2943   -17 A"   2960  
10 A" 1635 1492   15 A"   1477  
11 A" 1253 1143   -22 A"   1165  
12 A" 330 301   101 A"   200  
The calculated vibrational frequencies were scaled by 0.9125

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.