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

Compare vibrational frequencies for two calculations for CH2OH (Hydroxymethyl radical)

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   3705 3582 123.0 1.034   1.067 1.067 0.000 1.000   67.26 51.22 16.05 1.313
2 A A   3077 3163 -85.1 0.973   1.119 1.120 -0.002 0.999   37.37 21.21 16.16 1.762
3 A A   2954 3017 -63.2 0.979   1.050 1.049 0.001 1.001   37.16 26.39 10.77 1.408
4 A A   1461 1459 2.7 1.002   1.160 1.156 0.004 1.003   22.10 11.04 11.06 2.001
5 A A   1332 1324 8.6 1.006   1.265 1.271 -0.005 0.996   55.97 33.69 22.28 1.661
6 A A   1156 1159 -2.3 0.998   5.444 5.177 0.267 1.052   120.58 97.67 22.91 1.235
7 A A   1038 1034 3.9 1.004   1.073 1.079 -0.006 0.994   49.35 56.70 -7.35 0.870
8 A A   769 742 27.1 1.037   1.286 1.280 0.005 1.004   27.44 46.70 -19.26 0.588
9 A A   370 436 -65.3 0.850   1.077 1.081 -0.004 0.996   141.85 120.54 21.31 1.177
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.