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

Compare vibrational frequencies in CCCBDB for SO2Cl2 (Sulfuryl chloride)

HF/LANL2DZ

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1 625 -580 A1 1205  
2 A1 399 -178 A1 577  
3 A1 261 -147 A1 408  
4 A1 148 -70 A1 218  
5 A2 176 -106 A2 282  
6 B1 452 -134 B1 586  
7 B1 240 -148 B1 388  
8 B2 684 -750 B2 1434  
9 B2 230 -132 B2 362  
The calculated vibrational frequencies were scaled by 0.8999

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.