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

Compare vibrational frequencies in CCCBDB for CHONH2 (formamide)

CISD/6-31G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A' 3580 17 A' 3564  
2 A' 3450 11 A' 3439  
3 A' 2904 50 A' 2854  
4 A' 1667 -88 A' 1754  
5 A' 1621 45 A' 1577  
6 A' 1378 -12 A' 1390  
7 A' 1245 -13 A' 1258  
8 A' 1041 -4 A' 1046  
9 A' 544 -37 A' 581  
10 A" 1002 -19 A" 1021  
11 A" 615 12 A" 603  
12 A" 462 174 A" 289  
The calculated vibrational frequencies were scaled by 0.9378

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.