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Compare vibrational frequencies for two calculations for NH3- (Ammonia anion)


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 A1 A1   2466 2481 -15.0 0.994   1.053 1.051 0.002 1.002   11.94 10.48 1.47 1.140          
2 A1 A1   1006 1030 -24.5 0.976   1.148 1.150 -0.002 0.998   72.16 78.66 -6.51 0.917          
3 E E   1822 2125 -303.1 0.857   1.121 1.105 0.016 1.015   6101.59 2168.70 3932.89 2.813          
4 E E   1822 2125 -303.1 0.857   1.121 1.105 0.016 1.015   6101.59 2168.70 3932.89 2.813          
5 E E   1319 1307 12.1 1.009   1.024 1.035 -0.011 0.990   239.30 4.93 234.37 48.535          
6 E E   1319 1307 12.1 1.009   1.024 1.035 -0.011 0.990   239.30 4.93 234.37 48.535          
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.