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Compare vibrational frequencies for two calculations for NOH+ (nitric oxide O-protonated)


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

scale factors=0.8985, 0.943 -1.368
  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'   3079 2888 190.5 1.066   1.065 1.060 0.005 1.005   500.25 313.02 1.598
2 A' A'   1705 2043 -338.1 0.834   12.953 14.321 0.904   90.37 962.40 0.094
3 A' A'   1169 1077 92.1 1.085   1.185 1.186 -0.001 0.999   195.20 251.08 0.777
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.