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III.G.7. (XIII.B.3.) (XIII.D.5.)

Compare vibrational frequencies for two calculations for BH3+ (boron trihydride 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 ?a ?a   2161 2465 -303.6 0.877   1.024 1.053 -0.029 0.973   48.61 159.42 -110.81 0.305
2 ?a ?a   1962 2384 -422.6 0.823   1.107 1.136 -0.029 0.974   734.03 2.41 731.63 304.971
3 ?a ?a   1544 2194 -650.4 0.704   1.009 1.017 -0.009 0.991   265.11 1.86 263.25 142.497
4 ?a ?a   771 517 253.8 1.491   1.252 1.088 0.164 1.151   2.96 0.54 2.42 5.452
5 ?a ?a     5747i 5746.7 0.000   1.108 1.190 -0.082 0.931   0.00 8.89 -8.89 0.000
6 A2" A2"   1097 790 307.1 1.389   1.253 1.253 0.000 1.000   27.40 0.00 27.40  
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.