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

Compare vibrational frequencies for two calculations for C6H10 (3-Hexyne)

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   2944 3019 -75.9 0.975   1.103 1.103 -0.000 1.000   20.52 7.97 12.55 2.576
2 A A   2888 2935 -47.2 0.984   1.047 1.035 0.012 1.012   0.23 24.13 -23.91 0.009
3 A A   2882 2919 -36.3 0.988   1.049 1.060 -0.012 0.989   75.02 22.72 52.30 3.302
4 A A   2296 2164 131.8 1.061   11.898 11.781 0.117 1.010   0.04 0.00 0.04  
5 A A   1482 1480 2.5 1.002   1.062 1.056 0.007 1.006   1.47 1.37 0.09 1.067
6 A A   1465 1459 5.7 1.004   1.068 1.073 -0.005 0.995   1.66 3.28 -1.63 0.504
7 A A   1404 1384 20.5 1.015   1.247 1.236 0.011 1.009   1.28 3.93 -2.65 0.326
8 A A   1344 1316 27.9 1.021   1.395 1.420 -0.025 0.982   0.04 0.12 -0.08 0.361
9 A A   1071 1064 7.1 1.007   1.693 1.853 -0.160 0.914   1.54 0.73 0.81 2.102
10 A A   952 971 -19.4 0.980   2.301 2.058 0.243 1.118   0.03 0.01 0.02 2.429
11 A A   661 667 -6.4 0.990   2.799 2.788 0.011 1.004   0.44 0.12 0.31 3.513
12 A A   407 406 1.4 1.003   4.040 4.002 0.037 1.009   7.13 5.80 1.33 1.230
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.