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

Compare vibrational frequencies in CCCBDB for SF4 (Sulfur tetrafluoride)

PBEPBE/3-21G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1 719 -172 A1 892  
2 A1 521 -37 A1 558  
3 A1 360 -172 A1 532  
4 A1 125 -103 A1 228  
5 A2 312 -100 A2 412  
6 B1 749 -115 B1 865 B1 B2 switched
7 B1 235 -118 B1 353 B1 B2 switched
8 B2 767 37 B2 730 B1 B2 switched
9 B2 360 -115 B2 475 B1 B2 switched
The calculated vibrational frequencies were scaled by 0.9909

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.