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

Compare vibrational frequencies in CCCBDB for C2F4 (Tetrafluoroethylene)

HF/STO-3G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 Ag 1720 -152 Ag 1872  
2 Ag 708 -70 Ag 778  
3 Ag 314 -80 Ag 394  
4 Au 175 -15 Au 190  
5 B1u 1099 -87 B1u 1186  
6 B1u 439 -119 B1u 558  
7 B2g 473 -35 B2g 508  
8 B2u 1288 -49 B2u 1337  
9 B2u 156 -62 B2u 218  
10 B3g 1356 16 B3g 1340  
11 B3g 478 -73 B3g 551  
12 B3u 375 -31 B3u 406  
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.