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Compare vibrational frequencies for two calculations for HNS- (Sulfur imide anion)


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)   Raman Activity (Å4/u)
mode number A B   A B diff. ratio   A B diff. ratio   A B diff. ratio   A B diff. ratio
1 A' A'   3190 3108 82.1 1.026   1.077 1.077 -0.000 1.000   81.20 131.02 -49.83 0.620          
2 A' A'   1155 1196 -41.1 0.966   1.096 1.090 0.006 1.005   17.73 15.83 1.91 1.120          
3 A' A'   696 821 -125.8 0.847   13.339 14.651 -1.312 0.910   17.00 37.93 -20.93 0.448          
scaled by     0.8985 0.943
19 08 20 15 07

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.