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

Compare vibrational frequencies in CCCBDB for CH3CONH2 (Acetamide)

MP2=FULL/3-21G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A 3541 -9 A 3550  
2 A 3408 -42 A 3450  
3 A 3064 97 A 2967  
4 A 3021 121 A 2900  
5 A 2957 97 A 2860  
6 A 1665 -68 A 1733  
7 A 1626 26 A 1600  
8 A 1519 86 A 1433  
9 A 1505 72 A 1433  
10 A 1396 11 A 1385  
11 A 1287 -32 A 1319  
12 A 1098 -36 A 1134  
13 A 1062 22 A 1040  
14 A 968 3 A 965  
15 A 776 -82 A 858  
16 A 631 6 A 625  
17 A 521 -27 A 548  
18 A 516 10 A 507  
19 A 401 -26 A 427  
20 A 370 111 A 259  
21 A 107   A    
The calculated vibrational frequencies were scaled by 0.9548

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.