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

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

HF/6-311G*

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 Σg 2430 140 Σg 2290  
2 Σg 2222 103 Σg 2119  
3 Σg 575 -117 Σg 692  
4 Σu 2370 129 Σu 2241  
5 Σu 1099 -55 Σu 1154  
6 Πg 590 86 Πg 504  
7 Πg 290 27 Πg 263  
8 Πu 515 43 Πu 472  
9 Πu 115 8 Πu 107  
The calculated vibrational frequencies were scaled by 0.9044

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.