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Compare vibrational frequencies in CCCBDB for CH3OH (Methyl alcohol)

MP2=FULL/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' 3659 3476   -205 A'   3681  
2 A' 3204 3044   44 A'   3000  
3 A' 3050 2898   54 A'   2844  
4 A' 1581 1502   25 A'   1477  
5 A' 1529 1453   -2 A'   1455  
6 A' 1390 1321   -24 A'   1345  
7 A' 1079 1026   -34 A'   1060  
8 A' 977 928   -105 A'   1033  
9 A" 3118 2963   3 A"   2960  
10 A" 1570 1492   15 A"   1477  
11 A" 1170 1112   -53 A"   1165  
12 A" 349 331   131 A"   200  
The calculated vibrational frequencies were scaled by 0.9501

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.