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

Compare vibrational frequencies in CCCBDB for C4N2 (2-Butynedinitrile)

HF/CEP-31G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 Σg 2402 112 Σg 2290  
2 Σg 2155 36 Σg 2119  
3 Σg 573 -119 Σg 692  
4 Σu 2292 51 Σu 2241  
5 Σu 1098 -56 Σu 1154  
6 Πg 449 -55 Πg 504  
7 Πg 150 -113 Πg 263  
8 Πu 496 24 Πu 472  
9 Πu 111 4 Πu 107  
The calculated vibrational frequencies were scaled by 0.9014

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.