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

Compare vibrational frequencies in CCCBDB for SF4 (Sulfur tetrafluoride)

B3LYP/6-31G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1 702 -190 A1 892  
2 A1 507 -51 A1 558  
3 A1 362 -170 A1 532  
4 A1 93 -135 A1 228  
5 A2 333 -79 A2 412  
6 B1 728 -136 B1 865 B1 B2 switched
7 B1 265 -88 B1 353 B1 B2 switched
8 B2 748 18 B2 730 B1 B2 switched
9 B2 366 -109 B2 475 B1 B2 switched
The calculated vibrational frequencies were scaled by 0.962

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.