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Compare vibrational frequencies in CCCBDB for CH3OH (Methyl alcohol)

LSDA/6-31+G**

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' 3765 3709   28 A'   3681  
2 A' 3070 3024   24 A'   3000  
3 A' 2925 2881   37 A'   2844  
4 A' 1445 1424   -53 A'   1477  
5 A' 1419 1398   -57 A'   1455  
6 A' 1297 1278   -67 A'   1345  
7 A' 1105 1088   28 A'   1060  
8 A' 1022 1006   -27 A'   1033  
9 A" 2982 2938   -22 A"   2960  
10 A" 1430 1409   -68 A"   1477  
11 A" 1133 1116   -49 A"   1165  
12 A" 318 313   113 A"   200  
The calculated vibrational frequencies were scaled by 0.985

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.