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Compare vibrational frequencies in CCCBDB for CH3OCHO (methyl formate)

PBEPBE/3-21G*

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' 3125 2980   -65 A'   3045  
2 A' 3001 2861   -108 A'   2969  
3 A' 2981 2842   -101 A'   2943  
4 A' 1684 1605   -149 A'   1754  
5 A' 1512 1442   -12 A'   1454  
6 A' 1428 1361   -84 A'   1445  
7 A' 1345 1282   -89 A'   1371  
8 A' 1138 1085   -122 A'   1207  
9 A' 1095 1044   -122 A'   1166  
10 A' 869 829   -96 A'   925  
11 A' 728 695   -72 A'   767  
12 A' 280 267   -51 A'   318  
13 A" 3072 2929   -83 A"   3012  
14 A" 1495 1426   -17 A"   1443  
15 A" 1119 1067   -101 A"   1168  
16 A" 993 947   -85 A"   1032  
17 A" 343 327   -5 A"   332  
18 A" 32 30   -100 A"   130  
The calculated vibrational frequencies were scaled by 0.9535

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.