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

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

HF/6-31G*

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 Σg 2422 132 Σg 2290  
2 Σg 2225 106 Σg 2119  
3 Σg 574 -118 Σg 692  
4 Σu 2369 128 Σu 2241  
5 Σu 1096 -58 Σu 1154  
6 Πg 556 52 Πg 504  
7 Πg 283 20 Πg 263  
8 Πu 502 30 Πu 472  
9 Πu 114 7 Πu 107  
The calculated vibrational frequencies were scaled by 0.8985

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.