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

Compare vibrational frequencies in CCCBDB for SF4 (Sulfur tetrafluoride)


Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1   -892 A1 892  
2   -558 A1 558  
3   -532 A1 532  
4   -228 A1 228  
5   -412 A2 412  
6   -865 B1 865 B1 B2 switched
7   -353 B1 353 B1 B2 switched
8   -730 B2 730 B1 B2 switched
9   -475 B2 475 B1 B2 switched
The calculated vibrational frequencies were scaled by 0.974

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.