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Compare vibrational frequencies in CCCBDB for CH3OH (Methyl alcohol)

CCSD(T)/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' 3865 3767   86 A'   3681  
2 A' 3128 3049   49 A'   3000  
3 A' 3009 2933   89 A'   2844  
4 A' 1523 1485   8 A'   1477  
5 A' 1488 1451   -4 A'   1455  
6 A' 1394 1359   14 A'   1345  
7 A' 1096 1069   9 A'   1060  
8 A' 1066 1039   6 A'   1033  
9 A" 3064 2987   27 A"   2960  
10 A" 1508 1470   -7 A"   1477  
11 A" 1180 1150   -15 A"   1165  
12 A" 308 300   100 A"   200  
The calculated vibrational frequencies were scaled by 0.9748

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.