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Compare vibrational frequencies in CCCBDB for CH3CONH2 (Acetamide)

HSEh1PBE/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 3706 3570   20 A   3550  
2 A 3572 3441   -9 A   3450  
3 A 3204 3087   120 A   2967  
4 A 3144 3029   129 A   2900  
5 A 3077 2964   104 A   2860  
6 A 1795 1729   -4 A   1733  
7 A 1679 1617   17 A   1600  
8 A 1552 1495   62 A   1433  
9 A 1527 1471   38 A   1433  
10 A 1428 1375   -10 A   1385  
11 A 1369 1318   -1 A   1319  
12 A 1151 1109   -25 A   1134  
13 A 1094 1054   14 A   1040  
14 A 1010 973   8 A   965  
15 A 837 806   -52 A   858  
16 A 690 664   39 A   625  
17 A 554 533   -15 A   548  
18 A 547 526   20 A   507  
19 A 500 482   55 A   427  
20 A 419 404   145 A   259  
21 A 82 79    A      
The calculated vibrational frequencies were scaled by 0.9633

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.