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Compare vibrational frequencies for two calculations for SF2- (sulfur difluoride 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'   710 638 72.1 1.113   22.547 23.347 -0.800 0.966   114.81 109.05 5.76 1.053          
2 A' A'   339 380 -40.5 0.893   23.296 19.669 3.626 1.184   16.38 0.32 16.07 51.671          
3 A' A'   182 279 -97.4 0.651   19.354 21.954 -2.600 0.882   5.46 184.25 -178.79 0.030          
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.