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

Compare vibrational frequencies for two calculations for NO3 (Nitrogen trioxide)

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   1992 2226 -233.7 0.895   14.487 14.464 0.023 1.002   1926.80 2443.48 -516.68 0.789
2 A1 A1   1203 1021 182.2 1.179   15.995 15.995 0.000 1.000   0.00 0.00 0.00  
3 A1 A1   710 677 33.2 1.049   15.899 15.927 -0.027 0.998   19.84 32.91 -13.07 0.603
4 B1 B1   842 699 142.5 1.204   14.408 14.408 0.000 1.000   37.34 5.83 31.51 6.408
5 B2 B2   1992 2226 -233.7 0.895   14.487 14.464 0.023 1.002   1926.80 2443.46 -516.66 0.789
6 B2 B2   710 677 33.2 1.049   15.899 15.927 -0.027 0.998   19.84 32.91 -13.07 0.603
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.