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

Compare vibrational frequencies in CCCBDB for COBr2 (Carbonic dibromide)

LSDA/aug-cc-pVDZ

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1 1836 8 A1 1828  
2 A1 441 16 A1 425  
3 A1 181 -0 A1 181  
4 B1 509 -248 B1 757  
5 B2 748 398 B1 350  
6 B2 342 -170 B2 512  
The calculated vibrational frequencies were scaled by 0.9887

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.