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Compare vibrational frequencies in CCCBDB for CH3OCHO (methyl formate)

LSDA/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       -3045 A'   3045  
2       -2969 A'   2969  
3       -2943 A'   2943  
4       -1754 A'   1754  
5       -1454 A'   1454  
6       -1445 A'   1445  
7       -1371 A'   1371  
8       -1207 A'   1207  
9       -1166 A'   1166  
10       -925 A'   925  
11       -767 A'   767  
12       -318 A'   318  
13       -3012 A"   3012  
14       -1443 A"   1443  
15       -1168 A"   1168  
16       -1032 A"   1032  
17       -332 A"   332  
18       -130 A"   130  
The calculated vibrational frequencies were scaled by 0.989

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.