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Compare vibrational frequencies in CCCBDB for CH3OH (Methyl alcohol)

CCSD=FULL/cc-pVTZ

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' 3924 3721   40 A'   3681  
2 A' 3149 2986   -14 A'   3000  
3 A' 3049 2891   47 A'   2844  
4 A' 1550 1470   -7 A'   1477  
5 A' 1515 1436   -19 A'   1455  
6 A' 1408 1335   -10 A'   1345  
7 A' 1119 1061   1 A'   1060  
8 A' 1086 1029   -4 A'   1033  
9 A" 3088 2927   -33 A"   2960  
10 A" 1535 1455   -22 A"   1477  
11 A" 1202 1140   -25 A"   1165  
12 A" 309 293   93 A"   200  
The calculated vibrational frequencies were scaled by 0.9481

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.