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Compare vibrational frequencies in CCCBDB for CH3OH (Methyl alcohol)

B1B95/6-31G

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' 3716 3544   -137 A'   3681  
2 A' 3197 3049   49 A'   3000  
3 A' 3040 2899   55 A'   2844  
4 A' 1555 1483   6 A'   1477  
5 A' 1518 1448   -7 A'   1455  
6 A' 1376 1312   -33 A'   1345  
7 A' 1088 1038   -22 A'   1060  
8 A' 1025 978   -55 A'   1033  
9 A" 3104 2960   0 A"   2960  
10 A" 1545 1473   -4 A"   1477  
11 A" 1169 1115   -50 A"   1165  
12 A" 346 330   130 A"   200  
The calculated vibrational frequencies were scaled by 0.9537

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.