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Compare vibrational frequencies in CCCBDB for CH3OH (Methyl alcohol)

mPW1PW91/3-21G*

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' 3558 3379   -302 A'   3681  
2 A' 3156 2997   -3 A'   3000  
3 A' 3014 2862   18 A'   2844  
4 A' 1589 1509   32 A'   1477  
5 A' 1530 1453   -2 A'   1455  
6 A' 1405 1334   -11 A'   1345  
7 A' 1093 1038   -22 A'   1060  
8 A' 1017 965   -68 A'   1033  
9 A" 3056 2902   -58 A"   2960  
10 A" 1572 1492   15 A"   1477  
11 A" 1163 1105   -60 A"   1165  
12 A" 385 365   165 A"   200  
The calculated vibrational frequencies were scaled by 0.9496

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.