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IV.C.1. (XIII.D.1.)

Compare vibrational frequencies in CCCBDB for CH3OH (Methyl alcohol)

B3LYP/aug-cc-pVQZ

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A' 3715 34 A' 3681  
2 A' 3010 10 A' 3000  
3 A' 2898 54 A' 2844  
4 A' 1464 -13 A' 1477  
5 A' 1435 -20 A' 1455  
6 A' 1325 -20 A' 1345  
7 A' 1045 -15 A' 1060  
8 A' 1010 -23 A' 1033  
9 A" 2942 -18 A" 2960  
10 A" 1453 -24 A" 1477  
11 A" 1137 -28 A" 1165  
12 A" 288 88 A" 200  
The calculated vibrational frequencies were scaled by 0.9689

See section XIII.C.3 List or set vibrational scaling factors to change the scale factors used here.
See section III.B.3.c Calculate a vibrational scaling factor for a set of molecules to determine the least squares best scaling factor.
See section III.B.3.b List of vibrational scaling factors and their uncertainties for information on where the above scaling factor is from.