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

Compare vibrational frequencies for two calculations for O3- (Ozone anion)

A = HF/6-31G*

B = MP2FC/6-31G*

  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   1382 1459 -77.5 0.947   15.995 15.995 0.000 1.000   0.30 1.11 -0.82 0.267
2 A1 A1   763 686 77.4 1.113   15.995 15.995 0.000 1.000   12.04 7.78 4.26 1.547
3 B2 B2   1307 2816 -1509.0 0.464   15.995 15.995 0.000 1.000   786.18 203.71 582.47 3.859
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.