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Compare vibrational frequencies in CCCBDB for CH3CONH2 (Acetamide)

PBEPBE/Def2TZVPP

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 3648 3604   54 A   3550  
2 A 3509 3467   17 A   3450  
3 A 3067 3030   63 A   2967  
4 A 3066 3029   129 A   2900  
5 A 2986 2950   90 A   2860  
6 A 1718 1697   -36 A   1733  
7 A 1560 1542   -58 A   1600  
8 A 1439 1422   -11 A   1433  
9 A 1419 1402   -31 A   1433  
10 A 1343 1327   -58 A   1385  
11 A 1303 1287   -32 A   1319  
12 A 1079 1066   -68 A   1134  
13 A 1011 999   -41 A   1040  
14 A 947 935   -30 A   965  
15 A 823 813   -45 A   858  
16 A 656 648   23 A   625  
17 A 525 519   -29 A   548  
18 A 510 503   -3 A   507  
19 A 417 412   -15 A   427  
20 A 164 162   -97 A   259  
21 A 33 32    A      
The calculated vibrational frequencies were scaled by 0.9879

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.