return to home page

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

Compare vibrational frequencies in CCCBDB for BF3+ (boron trifluoride cation)


Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1' 4763        
2 A2" 5776 5574 A2 202  
3 E' 6241 4579 E' 1662  
4 E' 3328 2917 E' 411  
The calculated vibrational frequencies were scaled by 0.9788

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.