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Compare vibrational frequencies in CCCBDB for CH3OH (Methyl alcohol)

CCD/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' 3890 3722   41 A'   3681  
2 A' 3159 3022   22 A'   3000  
3 A' 3027 2896   52 A'   2844  
4 A' 1520 1454   -23 A'   1477  
5 A' 1499 1434   -21 A'   1455  
6 A' 1417 1356   11 A'   1345  
7 A' 1125 1076   16 A'   1060  
8 A' 1088 1041   8 A'   1033  
9 A" 3085 2952   -8 A"   2960  
10 A" 1502 1437   -40 A"   1477  
11 A" 1185 1133   -32 A"   1165  
12 A" 346 331   131 A"   200  
The calculated vibrational frequencies were scaled by 0.9567

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.