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Compare vibrational frequencies in CCCBDB for CH3CONH2 (Acetamide)

TPSSh/6-31+G**

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 3730 3590   40 A   3550  
2 A 3585 3450   0 A   3450  
3 A 3145 3028   61 A   2967  
4 A 3141 3024   124 A   2900  
5 A 3059 2944   84 A   2860  
6 A 1760 1694   -39 A   1733  
7 A 1632 1571   -29 A   1600  
8 A 1509 1452   19 A   1433  
9 A 1492 1436   3 A   1433  
10 A 1413 1360   -25 A   1385  
11 A 1347 1296   -23 A   1319  
12 A 1116 1074   -60 A   1134  
13 A 1055 1015   -25 A   1040  
14 A 986 949   -16 A   965  
15 A 842 810   -48 A   858  
16 A 666 641   16 A   625  
17 A 530 510   -38 A   548  
18 A 520 500   -7 A   507  
19 A 419 403   -24 A   427  
20 A 200 192   -66 A   259  
21 A 28 27    A      
The calculated vibrational frequencies were scaled by 0.9625

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.