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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 0.242 -0.282 -0.117 0.130 -0.458 0.471 -0.163
  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 A' A'   1889 1758 131.4 1.075   14.853 14.611 1.017   247.40 169.05 1.463
2 A' A'   1774 1689 85.2 1.050   14.566 14.848 0.981   669.73 235.15 2.848
3 A' A'   1448 1246 201.9 1.162   15.129 15.247 0.992   131.20 291.37 0.450
4 A' A'   834 725 109.4 1.151   15.116 15.166 -0.050 0.997   2.97 118.84 0.025
5 A' A'   780 581 199.3 1.343   14.909 14.779 1.009   78.22 3.06 25.605
6 A' A'   403 293 110.4 1.377   14.974 15.432 0.970   50.59 2.09 24.226
7 A' A'   335 169 166.2 1.983   15.827 15.356 1.031   1.26 0.56 2.247
8 A" A"   617 405 211.8 1.523   14.350 14.373 -0.022 0.998   28.92 3.98 7.261
9 A" A"   103 165 -61.5 0.627   14.927 15.089 0.989   1.66 0.14 11.543
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.