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

Compare vibrational frequencies in CCCBDB for BrF3 (Bromine trifluoride)


Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1 714 39 A1 675  
2 A1 614 62 A1 552  
3 A1 283 41 A1 242  
4 B1 184 -58 B1 242  
5 B2 722 108 B2 614  
6 B2 389 39 B2 350  
The calculated vibrational frequencies were scaled by 0.8165

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.