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

Compare vibrational frequencies in CCCBDB for CHONH2 (formamide)

HF/cc-pVTZ

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A' 3604 41 A' 3564  
2 A' 3476 36 A' 3439  
3 A' 2860 6 A' 2854  
4 A' 1787 32 A' 1754  
5 A' 1606 29 A' 1577  
6 A' 1407 17 A' 1390  
7 A' 1239 -19 A' 1258  
8 A' 1045 -0 A' 1046  
9 A' 564 -17 A' 581  
10 A" 1073 52 A" 1021  
11 A" 607 5 A" 603  
12 A" 144 -145 A" 289  
The calculated vibrational frequencies were scaled by 0.9101

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.