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

Compare vibrational frequencies in CCCBDB for D2S (Hydrogen sulfide-d2)

PM3

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1   -1896 A1 1896  
2   -855 A1 855  
3   -1999 B2 1999  
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.