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

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

MP2/STO-3G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 Σg 2051 -239 Σg 2290  
2 Σg 1700 -419 Σg 2119  
3 Σg 500 -192 Σg 692  
4 Σu 1795 -446 Σu 2241  
5 Σu 944 -210 Σu 1154  
6 Πg 483 -21 Πg 504  
7 Πg 224 -39 Πg 263  
8 Πu 429 -43 Πu 472  
9 Πu 94 -13 Πu 107  
The calculated vibrational frequencies were scaled by 0.8719

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.