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

Compare vibrational frequencies in CCCBDB for C3O2 (Carbon suboxide)

LSDA/cc-pVDZ

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 Σg 2233 37 Σg 2196  
2 Σg 770 -16 Σg 786  
3 Σu 2415 157 Σu 2258  
4 Σu 1611 38 Σu 1573  
5 Πg 559 -14 Πg 573  
6 Πu 565 15 Πu 550  
7 Πu 106 45 Πu 61  
The calculated vibrational frequencies were scaled by 0.989

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.