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IV.C.1. (XIII.D.1.)

Compare vibrational frequencies in CCCBDB for CH3CONH2 (Acetamide)

HF/3-21G*

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A 3528 -22 A 3550  
2 A 3412 -38 A 3450  
3 A 3002 35 A 2967  
4 A 2946 46 A 2900  
5 A 2898 38 A 2860  
6 A 1731 -2 A 1733  
7 A 1636 36 A 1600  
8 A 1496 63 A 1433  
9 A 1476 43 A 1433  
10 A 1404 19 A 1385  
11 A 1300 -19 A 1319  
12 A 1122 -12 A 1134  
13 A 1075 35 A 1040  
14 A 982 17 A 965  
15 A 789 -69 A 858  
16 A 662 37 A 625  
17 A 538 -10 A 548  
18 A 533 27 A 507  
19 A 479 52 A 427  
20 A 404 145 A 259  
21 A 99   A    
The calculated vibrational frequencies were scaled by 0.9026

See section XIII.C.3 List or set vibrational scaling factors to change the scale factors used here.
See section III.B.3.c Calculate a vibrational scaling factor for a set of molecules to determine the least squares best scaling factor.
See section III.B.3.b List of vibrational scaling factors and their uncertainties for information on where the above scaling factor is from.