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

Compare vibrational frequencies in CCCBDB for NF3 (Nitrogen trifluoride)

B3PW91/STO-3G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1 1027 -5 A1 1032  
2 A1 527 -120 A1 647  
3 E 1003 96 E 907  
4 E 383 -109 E 492  
The calculated vibrational frequencies were scaled by 0.885

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.