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

Compare vibrational frequencies in CCCBDB for C2F4 (Tetrafluoroethylene)

DREIDING

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1   -1872 Ag 1872  
2   -778 Ag 778  
3   -394 Ag 394  
4   -190 Au 190  
5   -1186 B1u 1186  
6   -558 B1u 558  
7   -508 B2g 508  
8   -1337 B2u 1337  
9   -218 B2u 218  
10   -1340 B3g 1340  
11   -551 B3g 551  
12   -406 B3u 406  
The calculated vibrational frequencies were scaled by 0.936

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.