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Compare vibrational frequencies for two calculations for HNNO+ (Nitrous oxide, N-protonated)


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'   3249 3259 -10.1 0.997   1.115 1.119 -0.004 0.996   971.07 806.14 164.92 1.205          
2 A' A'   2374 2356 17.8 1.008   9.028 9.495 -0.468 0.951   822.32 109.27 713.05 7.526          
3 A' A'   1468 1309 159.0 1.122   9.575 10.057 -0.482 0.952   46.78 1.38 45.40 34.008          
4 A' A'   653 733 -80.0 0.891   13.465 1.193 12.271 11.284   40.05 272.18 -232.13 0.147          
5 A' A'   440 535 -95.2 0.822   1.145 8.074 -6.928 0.142   488.35 2.53 485.82 192.848          
6 A" A"   637 591 45.6 1.077   6.762 3.272 3.490 2.067   0.49 21.09 -20.61 0.023          
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.