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

Compare vibrational frequencies in CCCBDB for CH3OH (Methyl alcohol)

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

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A' 3635 -46 A' 3681  
2 A' 3059 59 A' 3000  
3 A' 2928 84 A' 2844  
4 A' 1510 33 A' 1477  
5 A' 1476 21 A' 1455  
6 A' 1376 31 A' 1345  
7 A' 1070 10 A' 1060  
8 A' 1044 11 A' 1033  
9 A" 2981 21 A" 2960  
10 A" 1497 20 A" 1477  
11 A" 1156 -9 A" 1165  
12 A" 339 139 A" 200  
The calculated vibrational frequencies were scaled by 0.9707

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.