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

Compare vibrational frequencies in CCCBDB for CHONH2 (formamide)

MP2/SDD

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A' 3623 59 A' 3564  
2 A' 3472 32 A' 3439  
3 A' 2954 100 A' 2854  
4 A' 1642 -112 A' 1754  
5 A' 1585 8 A' 1577  
6 A' 1361 -29 A' 1390  
7 A' 1224 -34 A' 1258  
8 A' 1016 -29 A' 1046  
9 A' 524 -57 A' 581  
10 A" 977 -44 A" 1021  
11 A" 627 24 A" 603  
12 A" 468 180 A" 289  
The calculated vibrational frequencies were scaled by 0.9653

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.