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Compare vibrational frequencies in CCCBDB for CH3CONH2 (Acetamide)

MP2/6-311G*

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 3774 3587   37 A   3550  
2 A 3639 3458   8 A   3450  
3 A 3216 3056   89 A   2967  
4 A 3173 3015   115 A   2900  
5 A 3089 2935   75 A   2860  
6 A 1819 1729   -4 A   1733  
7 A 1692 1608   8 A   1600  
8 A 1525 1449   16 A   1433  
9 A 1515 1439   6 A   1433  
10 A 1439 1368   -17 A   1385  
11 A 1370 1302   -17 A   1319  
12 A 1166 1108   -26 A   1134  
13 A 1076 1022   -18 A   1040  
14 A 999 949   -16 A   965  
15 A 868 824   -34 A   858  
16 A 657 624   -1 A   625  
17 A 564 536   -12 A   548  
18 A 516 491   -16 A   507  
19 A 429 408   -19 A   427  
20 A 399 379   121 A   259  
21 A 71 68    A      
The calculated vibrational frequencies were scaled by 0.9503

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.