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

Compare vibrational frequencies in CCCBDB for ClF3 (Chlorine trifluoride)


Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1 587 -165 A1 752  
2 A1 262 -267 A1 529  
3 A1 82 -246 A1 328  
4 B1 190 -138 B1 328  
5 B2 621 -81 B2 702  
6 B2 224 -218 B2 442  
The calculated vibrational frequencies were scaled by 0.9653

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.