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

Compare vibrational frequencies in CCCBDB for C2F4 (Tetrafluoroethylene)

BLYP/6-31G*

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 Ag 1817 -55 Ag 1872  
2 Ag 753 -25 Ag 778  
3 Ag 373 -21 Ag 394  
4 Au 181 -9 Au 190  
5 B1u 1135 -51 B1u 1186  
6 B1u 518 -40 B1u 558  
7 B2g 404 -104 B2g 508  
8 B2u 1276 -61 B2u 1337  
9 B2u 193 -25 B2u 218  
10 B3g 1279 -61 B3g 1340  
11 B3g 517 -34 B3g 551  
12 B3u 387 -19 B3u 406  
The calculated vibrational frequencies were scaled by 0.9919

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.