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Compare vibrational frequencies in CCCBDB for CH3OH (Methyl alcohol)

ROMP2/daug-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' 3861 3861   180 A'   3681  
2 A' 3183 3183   183 A'   3000  
3 A' 3055 3055   211 A'   2844  
4 A' 1534 1534   57 A'   1477  
5 A' 1491 1491   36 A'   1455  
6 A' 1372 1372   27 A'   1345  
7 A' 1088 1088   28 A'   1060  
8 A' 1057 1057   24 A'   1033  
9 A" 3126 3126   166 A"   2960  
10 A" 1524 1524   47 A"   1477  
11 A" 1183 1183   18 A"   1165  
12 A" 289 289   89 A"   200  
The calculated vibrational frequencies were scaled by 1

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.