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

Compare vibrational frequencies in CCCBDB for N2F2 (Dinitrogen difluoride, (E)-)


Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 Ag 1464 -59 Ag 1523  
2 Ag 1203 185 Ag 1018  
3 Ag 549 -54 Ag 603  
4 Au 322 -42 Au 364  
5 Bu 1187 196 Bu 991  
6 Bu 349 -74 Bu 423  
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.