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

Compare vibrational frequencies in CCCBDB for CHONH2 (formamide)

HF/cc-pVQZ

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A' 3596 32 A' 3564  
2 A' 3468 29 A' 3439  
3 A' 2857 4 A' 2854  
4 A' 1777 23 A' 1754  
5 A' 1605 28 A' 1577  
6 A' 1405 15 A' 1390  
7 A' 1237 -21 A' 1258  
8 A' 1044 -1 A' 1046  
9 A' 565 -16 A' 581  
10 A" 1071 49 A" 1021  
11 A" 604 1 A" 603  
12 A" 170 -118 A" 289  
The calculated vibrational frequencies were scaled by 0.9084

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.