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

Compare vibrational frequencies in CCCBDB for CHONH2 (formamide)

mPW1PW91/6-31G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A' 3587 24 A' 3564  
2 A' 3449 10 A' 3439  
3 A' 2896 43 A' 2854  
4 A' 1683 -71 A' 1754  
5 A' 1595 18 A' 1577  
6 A' 1368 -22 A' 1390  
7 A' 1249 -9 A' 1258  
8 A' 1034 -11 A' 1046  
9 A' 542 -39 A' 581  
10 A" 1007 -14 A" 1021  
11 A" 659 56 A" 603  
12 A" 526 237 A" 289  
The calculated vibrational frequencies were scaled by 0.9466

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.