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Compare vibrational frequencies in CCCBDB for CH3CONH2 (Acetamide)

HF/aug-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 3966 3611   61 A   3550  
2 A 3822 3480   30 A   3450  
3 A 3307 3012   45 A   2967  
4 A 3247 2957   57 A   2900  
5 A 3182 2898   38 A   2860  
6 A 1925 1753   20 A   1733  
7 A 1763 1605   5 A   1600  
8 A 1581 1440   7 A   1433  
9 A 1567 1427   -6 A   1433  
10 A 1525 1388   3 A   1385  
11 A 1434 1306   -13 A   1319  
12 A 1217 1108   -26 A   1134  
13 A 1146 1044   4 A   1040  
14 A 1058 964   -1 A   965  
15 A 911 830   -28 A   858  
16 A 684 623   -2 A   625  
17 A 598 544   -4 A   548  
18 A 557 507   0 A   507  
19 A 445 406   -21 A   427  
20 A 140 127   -132 A   259  
21 A 32 29    A      
The calculated vibrational frequencies were scaled by 0.9106

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.