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

Compare vibrational frequencies in CCCBDB for CHONH2 (formamide)

B3LYP/3-21G*

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A' 3508 -56 A' 3564  
2 A' 3381 -58 A' 3439  
3 A' 2834 -19 A' 2854  
4 A' 1697 -57 A' 1754  
5 A' 1606 29 A' 1577  
6 A' 1392 2 A' 1390  
7 A' 1224 -34 A' 1258  
8 A' 1026 -19 A' 1046  
9 A' 547 -34 A' 581  
10 A" 1042 21 A" 1021  
11 A" 652 49 A" 603  
12 A" 479 190 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.