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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 1681 -147 A1 1828  
2 A1 414 -11 A1 425  
3 A1 176 -5 A1 181  
4 B1 501 -256 B1 757  
5 B2 717 367 B1 350  
6 B2 332 -180 B2 512  
The calculated vibrational frequencies were scaled by 0.9611

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.