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

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

HF/STO-3G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 Σg 2325 35 Σg 2290  
2 Σg 2137 18 Σg 2119  
3 Σg 532 -160 Σg 692  
4 Σu 2229 -12 Σu 2241  
5 Σu 1007 -147 Σu 1154  
6 Πg 595 91 Πg 504  
7 Πg 268 5 Πg 263  
8 Πu 499 27 Πu 472  
9 Πu 107 0 Πu 107  
The calculated vibrational frequencies were scaled by 0.8165

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.