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

Compare vibrational frequencies in CCCBDB for SF4 (Sulfur tetrafluoride)

B1B95/STO-3G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1 671 -221 A1 892  
2 A1 536 -22 A1 558  
3 A1 350 -182 A1 532  
4 A1 87 -141 A1 228  
5 A2 355 -57 A2 412  
6 B1 769 -95 B1 865 B1 B2 switched
7 B1 337 -16 B1 353 B1 B2 switched
8 B2 770 40 B2 730 B1 B2 switched
9 B2 337 -138 B2 475 B1 B2 switched
The calculated vibrational frequencies were scaled by 0.883

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.