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Compare vibrational frequencies in CCCBDB for CH3CONH2 (Acetamide)

MP2/cc-pVTZ

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 3780 3589   39 A   3550  
2 A 3631 3448   -2 A   3450  
3 A 3211 3049   82 A   2967  
4 A 3176 3015   115 A   2900  
5 A 3091 2934   74 A   2860  
6 A 1795 1704   -29 A   1733  
7 A 1625 1543   -57 A   1600  
8 A 1506 1430   -3 A   1433  
9 A 1489 1414   -19 A   1433  
10 A 1413 1341   -44 A   1385  
11 A 1351 1283   -36 A   1319  
12 A 1127 1070   -64 A   1134  
13 A 1059 1006   -34 A   1040  
14 A 986 936   -29 A   965  
15 A 862 819   -39 A   858  
16 A 653 620   -5 A   625  
17 A 553 525   -23 A   548  
18 A 518 492   -14 A   507  
19 A 422 401   -26 A   427  
20 A 214 204   -55 A   259  
21 A 59 56    A      
The calculated vibrational frequencies were scaled by 0.9495

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.