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III.G.7. (XIII.B.3.) (XIII.D.5.)

Compare vibrational frequencies for two calculations for SO2+ (Sulfur dioxide cation)

A = HF/6-31G*

B = MP2/6-31G*

scale factors=0.8985, 0.943
  symmetry   frequency (cm-1)   reduced mass (amu)   IR Intensity (km mol-1)
mode number A B   A B diff. ratio   A B diff. ratio   A B diff. ratio
1 A1 A1   1118 1039 78.7 1.076   16.989 17.214 -0.226 0.987   1.18 2.61 -1.43 0.452
2 A1 A1   406 388 18.2 1.047   19.782 19.485 0.297 1.015   23.68 27.01 -3.33 0.877
3 B2 B2   1658 3693 -2035.1 0.449   20.650 20.833 -0.183 0.991   874.03 42541.27 -41667.25 0.021
scaled by     0.8985 0.943

See section III.C.1 List or set vibrational scaling factors to change the scale factors used here.
See section III.C.2 Calculate a vibrational scaling factor for a given set of molecules to determine the least squares best scaling factor.