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

Compare vibrational frequencies in CCCBDB for C2F4 (Tetrafluoroethylene)

mPW1PW91/STO-3G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 Ag 1634 -238 Ag 1872  
2 Ag 705 -73 Ag 778  
3 Ag 316 -78 Ag 394  
4 Au 158 -32 Au 190  
5 B1u 1091 -95 B1u 1186  
6 B1u 445 -113 B1u 558  
7 B2g 368 -140 B2g 508  
8 B2u 1260 -77 B2u 1337  
9 B2u 155 -63 B2u 218  
10 B3g 1314 -26 B3g 1340  
11 B3g 468 -83 B3g 551  
12 B3u 355 -51 B3u 406  
The calculated vibrational frequencies were scaled by 0.8789

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.