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Compare vibrational frequencies in CCCBDB for CH3OH (Methyl alcohol)

CCSD(T)=FULL/6-31G*

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' 3745 3635   -46 A'   3681  
2 A' 3152 3059   59 A'   3000  
3 A' 3016 2928   84 A'   2844  
4 A' 1555 1510   33 A'   1477  
5 A' 1520 1476   21 A'   1455  
6 A' 1418 1376   31 A'   1345  
7 A' 1102 1070   10 A'   1060  
8 A' 1076 1044   11 A'   1033  
9 A" 3071 2981   21 A"   2960  
10 A" 1542 1497   20 A"   1477  
11 A" 1191 1156   -9 A"   1165  
12 A" 349 339   139 A"   200  
The calculated vibrational frequencies were scaled by 0.9707

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.