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Compare vibrational frequencies in CCCBDB for CH3OCHO (methyl formate)

PBEPBE/6-311G**

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' 3105 3076   31 A'   3045  
2 A' 2986 2959   -10 A'   2969  
3 A' 2951 2924   -19 A'   2943  
4 A' 1760 1744   -10 A'   1754  
5 A' 1447 1434   -20 A'   1454  
6 A' 1411 1398   -47 A'   1445  
7 A' 1343 1331   -40 A'   1371  
8 A' 1175 1164   -43 A'   1207  
9 A' 1130 1120   -46 A'   1166  
10 A' 908 899   -26 A'   925  
11 A' 756 749   -18 A'   767  
12 A' 292 289   -29 A'   318  
13 A" 3060 3032   20 A"   3012  
14 A" 1430 1417   -26 A"   1443  
15 A" 1130 1120   -48 A"   1168  
16 A" 987 978   -54 A"   1032  
17 A" 351 348   16 A"   332  
18 A" 91 90   -40 A"   130  
The calculated vibrational frequencies were scaled by 0.9909

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.