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Compare vibrational frequencies in CCCBDB for CH3OH (Methyl alcohol)

QCISD(T)=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' 3882 3715   34 A'   3681  
2 A' 3131 2996   -4 A'   3000  
3 A' 3028 2897   53 A'   2844  
4 A' 1535 1469   -8 A'   1477  
5 A' 1498 1433   -22 A'   1455  
6 A' 1394 1334   -11 A'   1345  
7 A' 1101 1053   -7 A'   1060  
8 A' 1068 1022   -11 A'   1033  
9 A" 3067 2935   -25 A"   2960  
10 A" 1520 1455   -22 A"   1477  
11 A" 1186 1135   -30 A"   1165  
12 A" 303 290   90 A"   200  
The calculated vibrational frequencies were scaled by 0.9569

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.