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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 1192 -331 Ag 1523  
2 Ag 1139 121 Ag 1018  
3 Ag 524 -79 Ag 603  
4 Au 289 -75 Au 364  
5 Bu 1131 140 Bu 991  
6 Bu 320 -103 Bu 423  
The calculated vibrational frequencies were scaled by 0.883

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.