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Compare vibrational frequencies for two calculations for SeO2+ (Selenium dioxide cation)


A = HF/6-31G*
B = MP2/6-31G*

scale factors=0.8985, 0.943 0.160 -0.210 -0.547
  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   917 982 -65.5 0.933   16.996 16.835 1.010   1.04 2.58 0.404
2 A1 A1   292 258 33.6 1.130   19.266 19.476 0.989   11.33 13.99 0.810
3 B2 B2   939 1760 -821.4 0.533   19.560 20.107 0.973   422.06 832.16 0.507
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.