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Compare vibrational frequencies in CCCBDB for CH3OH (Methyl alcohol)

MP2=FULL/STO-3G

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' 3875 3445   -236 A'   3681  
2 A' 3520 3129   129 A'   3000  
3 A' 3316 2948   104 A'   2844  
4 A' 1735 1543   66 A'   1477  
5 A' 1658 1474   19 A'   1455  
6 A' 1631 1449   104 A'   1345  
7 A' 1209 1075   15 A'   1060  
8 A' 1130 1004   -29 A'   1033  
9 A" 3470 3084   124 A"   2960  
10 A" 1716 1526   49 A"   1477  
11 A" 1223 1087   -78 A"   1165  
12 A" 408 362   162 A"   200  
The calculated vibrational frequencies were scaled by 0.8889

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.