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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 -0.223 0.294 -0.185
  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 79.1 1.076   16.989 17.212 0.987   1.18 2.62 0.451
2 A1 A1   406 387 18.5 1.048   19.782 19.488 1.015   23.68 27.00 0.877
3 B2 B2   1658 3699 -2040.5 0.448   20.650 20.835 0.991   874.03 42935.23 0.020
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.