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

Compare vibrational frequencies in CCCBDB for CHONH2 (formamide)

B3LYP/6-31G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A' 3596 32 A' 3564  
2 A' 3459 19 A' 3439  
3 A' 2905 52 A' 2854  
4 A' 1682 -73 A' 1754  
5 A' 1606 29 A' 1577  
6 A' 1380 -11 A' 1390  
7 A' 1248 -10 A' 1258  
8 A' 1036 -10 A' 1046  
9 A' 546 -35 A' 581  
10 A" 1011 -10 A" 1021  
11 A" 655 52 A" 603  
12 A" 514 225 A" 289  
The calculated vibrational frequencies were scaled by 0.962

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.