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

Compare vibrational frequencies in CCCBDB for CHONH2 (formamide)

HF/LANL2DZ

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A' 3602 38 A' 3564  
2 A' 3462 23 A' 3439  
3 A' 2957 104 A' 2854  
4 A' 1675 -79 A' 1754  
5 A' 1621 44 A' 1577  
6 A' 1377 -13 A' 1390  
7 A' 1240 -18 A' 1258  
8 A' 1047 2 A' 1046  
9 A' 543 -38 A' 581  
10 A" 1047 26 A" 1021  
11 A" 642 39 A" 603  
12 A" 512 224 A" 289  
The calculated vibrational frequencies were scaled by 0.8999

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.