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

Compare vibrational frequencies in CCCBDB for BrOCl (BrOCl)


Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A' 569 -107 A' 676  
2 A' 445 -114 A' 560 listed as nu3 in webbook
3 A' 197        
The calculated vibrational frequencies were scaled by 0.9501

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.