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

Compare vibrational frequencies for two calculations for ClOO (chloroperoxy radical)

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 A' A'   1070 1630 -560.0 0.656   16.075 18.094 -2.019 0.888   24.23 139.43 -115.20 0.174
2 A' A'   642 1030 -388.2 0.623   17.468 17.029 0.439 1.026   18.33 33.36 -15.03 0.549
3 A' A'   407 468 -61.3 0.869   20.278 18.242 2.036 1.112   1.58 3.06 -1.48 0.516
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.