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

Compare vibrational frequencies in CCCBDB for SF4 (Sulfur tetrafluoride)

mPW1PW91/6-31G*

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1 851 -41 A1 892  
2 A1 572 14 A1 558  
3 A1 479 -53 A1 532  
4 A1 185 -43 A1 228  
5 A2 428 16 A2 412  
6 B1 839 -26 B1 865 B1 B2 switched
7 B1 326 -27 B1 353 B1 B2 switched
8 B2 788 59 B2 730 B1 B2 switched
9 B2 487 12 B2 475 B1 B2 switched
The calculated vibrational frequencies were scaled by 0.9483

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.