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

Compare vibrational frequencies in CCCBDB for COBr2 (Carbonic dibromide)


Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1 1862 34 A1 1828  
2 A1 421 -4 A1 425  
3 A1 176 -5 A1 181  
4 B1 526 -231 B1 757  
5 B2 766 416 B1 350  
6 B2 359 -153 B2 512  
The calculated vibrational frequencies were scaled by 0.9084

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.