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Compare vibrational frequencies in CCCBDB for CH3CONH2 (Acetamide)

BLYP/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 3627 3608   58 A   3550  
2 A 3486 3468   18 A   3450  
3 A 3056 3040   73 A   2967  
4 A 3054 3038   138 A   2900  
5 A 2980 2964   104 A   2860  
6 A 1687 1679   -54 A   1733  
7 A 1577 1569   -31 A   1600  
8 A 1457 1449   16 A   1433  
9 A 1441 1434   1 A   1433  
10 A 1363 1356   -29 A   1385  
11 A 1292 1285   -34 A   1319  
12 A 1081 1075   -59 A   1134  
13 A 1023 1017   -23 A   1040  
14 A 952 947   -18 A   965  
15 A 808 803   -55 A   858  
16 A 647 643   18 A   625  
17 A 523 521   -27 A   548  
18 A 507 504   -2 A   507  
19 A 419 417   -10 A   427  
20 A 185 184   -75 A   259  
21 A 45 44    A      
The calculated vibrational frequencies were scaled by 0.9947

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.