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

Compare vibrational frequencies in CCCBDB for C3O2 (Carbon suboxide)

mPW1PW91/6-31G*

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 Σg 2196 0 Σg 2196  
2 Σg 756 -30 Σg 786  
3 Σu 2326 68 Σu 2258  
4 Σu 1591 18 Σu 1573  
5 Πg 559 -14 Πg 573  
6 Πu 566 16 Πu 550  
7 Πu 114 53 Πu 61  
The calculated vibrational frequencies were scaled by 0.9483

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.