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

Compare vibrational frequencies in CCCBDB for C2F4 (Tetrafluoroethylene)

MP2/SDD

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 Ag 1751 -121 Ag 1872  
2 Ag 668 -110 Ag 778  
3 Ag 338 -56 Ag 394  
4 Au 179 -11 Au 190  
5 B1u 1030 -156 B1u 1186  
6 B1u 464 -94 B1u 558  
7 B2g 444 -64 B2g 508  
8 B2u 1161 -176 B2u 1337  
9 B2u 189 -29 B2u 218  
10 B3g 1153 -187 B3g 1340  
11 B3g 492 -59 B3g 551  
12 B3u 358 -48 B3u 406  
The calculated vibrational frequencies were scaled by 0.9653

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.