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Compare vibrational frequencies in CCCBDB for CH3OH (Methyl alcohol)

MP4/cc-pVTZ

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' 3854 3735   54 A'   3681  
2 A' 3134 3038   38 A'   3000  
3 A' 3011 2918   74 A'   2844  
4 A' 1522 1475   -2 A'   1477  
5 A' 1486 1440   -15 A'   1455  
6 A' 1389 1346   1 A'   1345  
7 A' 1092 1059   -1 A'   1060  
8 A' 1059 1027   -6 A'   1033  
9 A" 3070 2976   16 A"   2960  
10 A" 1507 1461   -16 A"   1477  
11 A" 1177 1141   -24 A"   1165  
12 A" 309 300   100 A"   200  
The calculated vibrational frequencies were scaled by 0.9692

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.