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Compare vibrational frequencies for two calculations for AsO2 (Aresenic dioxide)


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

scale factors=0.8985, 0.943 -0.317
  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 A1 A1   869 937 -67.6 0.928   16.878 16.931 -0.054 0.997   0.45 10.51 0.043
2 A1 A1   260 284 -24.4 0.914   19.579 19.507 0.072 1.004   17.05 34.26 0.498
3 B2 B2   1179 6176 -4996.7 0.191   19.901 20.218 0.984   1064.19 1454910.00 0.001
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.