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Compare vibrational frequencies in CCCBDB for CH3OH (Methyl alcohol)

PBEPBE/aug-cc-pVDZ

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' 3716 3693   12 A'   3681  
2 A' 3063 3044   44 A'   3000  
3 A' 2925 2907   63 A'   2844  
4 A' 1430 1421   -56 A'   1477  
5 A' 1398 1389   -66 A'   1455  
6 A' 1323 1315   -30 A'   1345  
7 A' 1047 1041   -19 A'   1060  
8 A' 1013 1007   -26 A'   1033  
9 A" 2984 2966   6 A"   2960  
10 A" 1415 1406   -71 A"   1477  
11 A" 1116 1109   -56 A"   1165  
12 A" 304 302   102 A"   200  
The calculated vibrational frequencies were scaled by 0.9939

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.