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Compare vibrational frequencies for two calculations for BO2+ (Boron 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)
mode number A B   A B diff. ratio   A B diff. ratio   A B diff. ratio
1 Σg Σg   937 1025 -88.3 0.914   15.995 15.995 0.000 1.000   0.00 0.00  
2 Σu Σu   843 1173 -329.9 0.719   11.964 11.964 0.000 1.000   4597.61 3001.15 1.532
3 Πu Πu   160 314 -153.9 0.510   11.964 11.964 0.000 1.000   48.08 150.59 0.319
4 Πu Πu   160 314 -153.9 0.510   11.964 11.964 0.000 1.000   48.08 150.59 0.319
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.