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

Compare vibrational frequencies in CCCBDB for CHONH2 (formamide)

B3PW91/cc-pVTZ

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A' 3598 35 A' 3564  
2 A' 3462 22 A' 3439  
3 A' 2824 -30 A' 2854  
4 A' 1750 -4 A' 1754  
5 A' 1550 -27 A' 1577  
6 A' 1364 -26 A' 1390  
7 A' 1227 -31 A' 1258  
8 A' 1014 -31 A' 1046  
9 A' 544 -37 A' 581  
10 A" 1005 -16 A" 1021  
11 A" 625 22 A" 603  
12 A" 211 -78 A" 289  
The calculated vibrational frequencies were scaled by 0.9616

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.