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Compare vibrational frequencies for two calculations for N2O- (Nitrous oxide 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'   1288 2859 -1571.1 0.451   14.025 14.006 0.019 1.001   69.14 1231.17 -1162.03 0.056          
2 A' A'   1027 1082 -55.0 0.949   14.925 15.001 -0.076 0.995   267.62 227.79 39.82 1.175          
3 A' A'   499 677 -178.0 0.737   14.533 14.443 0.090 1.006   6.97 26.03 -19.05 0.268          
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.