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

Compare vibrational frequencies in CCCBDB for SF4 (Sulfur tetrafluoride)

PBEPBE/6-31G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1 678 -214 A1 892  
2 A1 496 -62 A1 558  
3 A1 326 -206 A1 532  
4 A1 92 -136 A1 228  
5 A2 303 -109 A2 412  
6 B1 701 -163 B1 865 B1 B2 switched
7 B1 230 -123 B1 353 B1 B2 switched
8 B2 741 11 B2 730 B1 B2 switched
9 B2 338 -137 B2 475 B1 B2 switched
The calculated vibrational frequencies were scaled by 0.9862

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.