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Compare vibrational frequencies in CCCBDB for CH3OH (Methyl alcohol)

CCSD(T)=FULL/aug-cc-pVDZ

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' 3822 3712   31 A'   3681  
2 A' 3133 3043   43 A'   3000  
3 A' 3007 2921   77 A'   2844  
4 A' 1494 1451   -26 A'   1477  
5 A' 1461 1418   -37 A'   1455  
6 A' 1374 1335   -10 A'   1345  
7 A' 1070 1039   -21 A'   1060  
8 A' 1041 1011   -22 A'   1033  
9 A" 3072 2984   24 A"   2960  
10 A" 1482 1440   -37 A"   1477  
11 A" 1163 1129   -36 A"   1165  
12 A" 312 303   103 A"   200  
The calculated vibrational frequencies were scaled by 0.9712

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.