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

Compare vibrational frequencies in CCCBDB for CH3OH (Methyl alcohol)

B1B95/cc-pVDZ

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A' 3706 25 A' 3681  
2 A' 3013 13 A' 3000  
3 A' 2885 41 A' 2844  
4 A' 1428 -49 A' 1477  
5 A' 1413 -42 A' 1455  
6 A' 1322 -23 A' 1345  
7 A' 1080 20 A' 1060  
8 A' 1025 -8 A' 1033  
9 A" 2938 -22 A" 2960  
10 A" 1409 -68 A" 1477  
11 A" 1118 -47 A" 1165  
12 A" 323 123 A" 200  
The calculated vibrational frequencies were scaled by 0.9612

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.