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Compare vibrational frequencies for two calculations for O3+ (Ozone 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   1308 1460 -151.5 0.896   15.995 15.995 0.000 1.000   2.74 1.12 2.456
2 A1 A1   663 643 20.2 1.032   15.995 15.995 0.000 1.000   2.97 4.28 0.693
3 B2 B2   1085 2816 -1730.9 0.385   15.995 15.995 0.000 1.000   614.36 203.60 3.018
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.