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Compare vibrational frequencies for two calculations for CH3NH3 (methyl ammonium 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)   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   2925 2966 -41.0 0.986   1.031 1.030 0.001 1.001   35.05 29.16 5.89 1.202          
2 A1 A1   2460 2433 26.5 1.011   1.047 1.042 0.005 1.005   46.76 59.52 -12.76 0.786          
3 A1 A1   1359 1296 63.3 1.049   1.173 1.154 0.018 1.016   44.69 100.76 -56.07 0.444          
4 A1 A1   1134 1095 38.9 1.036   1.553 1.643 -0.091 0.945   33.91 29.91 4.00 1.134          
5 A1 A1   878 819 59.2 1.072   2.214 2.136 0.078 1.037   58.54 23.57 34.97 2.483          
6 A2 A2   275 280 -5.2 0.981   1.008 1.008 0.000 1.000   0.00 0.00 0.00            
7 E E   3007 3071 -64.3 0.979   1.106 1.105 0.001 1.001   12.13 12.00 0.12 1.010          
8 E E   3007 3071 -64.3 0.979   1.106 1.105 0.001 1.001   12.13 12.00 0.12 1.010          
9 E E   1472 2085 -613.0 0.706   1.051 1.154 -0.103 0.911   9.11 1248.05 -1238.95 0.007          
10 E E   1472 2085 -613.0 0.706   1.051 1.154 -0.103 0.911   9.11 1248.05 -1238.95 0.007          
11 E E   1312 1456 -143.7 0.901   1.082 1.059 0.024 1.022   1154.38 6.78 1147.60 170.327          
12 E E   1312 1456 -143.7 0.901   1.082 1.059 0.024 1.022   1154.38 6.78 1147.60 170.327          
13 E E   1219 1186 33.3 1.028   1.376 1.144 0.232 1.203   60.29 3.69 56.59 16.326          
14 E E   1219 1186 33.3 1.028   1.376 1.144 0.232 1.203   60.29 3.69 56.59 16.326          
15 E E   862 1009 -146.6 0.855   1.061 1.156 -0.095 0.918   10.54 181.17 -170.63 0.058          
16 E E   862 1009 -146.6 0.855   1.061 1.156 -0.095 0.918   10.54 181.17 -170.63 0.058          
17 E E   1601i 822 -2422.2 -1.948   1.056 1.060 -0.004 0.996   20713.01 18.60 20694.42 1113.806          
18 E E   1601i 822 -2422.2 -1.948   1.056 1.060 -0.004 0.996   20713.01 18.60 20694.42 1113.807          
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.