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

Compare vibrational frequencies in CCCBDB for NCl3 (nitrogen trichloride)


Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1 407 -131 A1 538  
2 A1 257 -92 A1 349  
3 E 484 -158 E 642  
4 E 188 -69 E 257  
The calculated vibrational frequencies were scaled by 0.9698

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.