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Compare vibrational frequencies in CCCBDB for CH3CONH2 (Acetamide)

LSDA/cc-pVDZ

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       -3550 A   3550  
2       -3450 A   3450  
3       -2967 A   2967  
4       -2900 A   2900  
5       -2860 A   2860  
6       -1733 A   1733  
7       -1600 A   1600  
8       -1433 A   1433  
9       -1433 A   1433  
10       -1385 A   1385  
11       -1319 A   1319  
12       -1134 A   1134  
13       -1040 A   1040  
14       -965 A   965  
15       -858 A   858  
16       -625 A   625  
17       -548 A   548  
18       -507 A   507  
19       -427 A   427  
20       -259 A   259  
21        A      
The calculated vibrational frequencies were scaled by 0.989

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.