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

Compare vibrational frequencies in CCCBDB for CHONH2 (formamide)

B1B95/3-21G*

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A' 3518 -45 A' 3564  
2 A' 3389 -51 A' 3439  
3 A' 2833 -20 A' 2854  
4 A' 1703 -51 A' 1754  
5 A' 1594 17 A' 1577  
6 A' 1382 -8 A' 1390  
7 A' 1227 -31 A' 1258  
8 A' 1025 -21 A' 1046  
9 A' 542 -39 A' 581  
10 A" 1040 18 A" 1021  
11 A" 654 51 A" 603  
12 A" 493 205 A" 289  
The calculated vibrational frequencies were scaled by 0.9549

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.