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Compare vibrational frequencies in CCCBDB for CH3OH (Methyl alcohol)

QCISD/cc-pV(T+d)Z

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' 3902 3725   44 A'   3681  
2 A' 3141 2999   -1 A'   3000  
3 A' 3026 2889   45 A'   2844  
4 A' 1536 1466   -11 A'   1477  
5 A' 1503 1435   -20 A'   1455  
6 A' 1404 1341   -4 A'   1345  
7 A' 1109 1059   -1 A'   1060  
8 A' 1080 1031   -2 A'   1033  
9 A" 3080 2940   -20 A"   2960  
10 A" 1521 1452   -25 A"   1477  
11 A" 1193 1139   -26 A"   1165  
12 A" 305 292   92 A"   200  
The calculated vibrational frequencies were scaled by 0.9547

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.