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

Compare vibrational frequencies in CCCBDB for C3O2 (Carbon suboxide)

MP2/LANL2DZ

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 Σg 2031 -165 Σg 2196  
2 Σg 699 -87 Σg 786  
3 Σu 2314 56 Σu 2258  
4 Σu 1434 -139 Σu 1573  
5 Πg 515 -58 Πg 573  
6 Πu 520 -30 Πu 550  
7 Πu 111 50 Πu 61  
The calculated vibrational frequencies were scaled by 0.9631

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.