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Compare vibrational frequencies for two calculations for NNS (Nitrogen sulfide)


A = HF/6-31G*
B = MP2/6-31G*

scale factors=0.8985, 0.943 0.116
  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 Σ Σ   2337 1706 630.7 1.370   14.003 14.067 -0.064 0.995   297.04 467.56 0.635
2 Σ Σ   526 796 -270.1 0.661   18.985 18.869 1.006   44.93 28.19 1.594
3 Π Π   422 431 -9.6 0.978   14.392 14.468 -0.076 0.995   1.66 0.00 338.551
4 Π Π   422 431 -9.6 0.978   14.392 14.468 -0.076 0.995   1.66 0.00 338.551
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.