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

Compare vibrational frequencies for two calculations for SO2- (Sulfur dioxide 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   1221 1039 181.4 1.175   17.980 17.214 0.766 1.044   63.82 2.61 61.21 24.433
2 A1 A1   532 459 73.6 1.160   18.589 18.546 0.042 1.002   61.77 31.98 29.79 1.932
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.