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Compare vibrational frequencies for two calculations for N2O3 (Dinitrogen trioxide)


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'   1889 1758 131.1 1.075   14.853 14.611 0.241 1.017   247.25 169.05 78.20 1.463          
2 A' A'   1774 1689 85.2 1.050   14.566 14.848 -0.282 0.981   669.73 235.15 434.59 2.848          
3 A' A'   1448 1246 202.0 1.162   15.129 15.247 -0.117 0.992   131.12 291.37 -160.24 0.450          
4 A' A'   834 725 109.4 1.151   15.116 15.166 -0.050 0.997   2.97 118.84 -115.87 0.025          
5 A' A'   780 581 199.3 1.343   14.909 14.779 0.130 1.009   78.21 3.06 75.16 25.600          
6 A' A'   403 293 110.4 1.377   14.974 15.432 -0.458 0.970   50.59 2.09 48.50 24.226          
7 A' A'   335 169 166.2 1.983   15.828 15.356 0.472 1.031   1.26 0.56 0.70 2.251          
8 A" A"   617 405 211.8 1.523   14.350 14.373 -0.022 0.998   28.92 3.98 24.94 7.261          
9 A" A"   104 165 -61.0 0.630   14.927 15.089 -0.162 0.989   1.66 0.14 1.51 11.552          
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.