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Compare vibrational frequencies for two calculations for SO2+ (Sulfur dioxide cation)


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 A1 A1   1118 1039 79.1 1.076   16.989 17.212 -0.223 0.987   1.18 2.62 -1.44 0.451          
2 A1 A1   406 387 18.5 1.048   19.782 19.488 0.294 1.015   23.68 27.00 -3.32 0.877          
3 B2 B2   1658 3699 -2040.5 0.448   20.650 20.835 -0.185 0.991   874.03 42935.23 -42061.21 0.020          
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.