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Compare vibrational frequencies for two calculations for C5H8O (Furan, 2,3-dihydro-5-methyl-)


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 A A   3075 3109 -34.5 0.989   1.097 1.096 0.001 1.001   6.46 2.65 3.80 2.432          
2 A A   2967 3033 -66.0 0.978   1.103 1.104 -0.000 1.000   23.29 10.35 12.94 2.251          
3 A A   2962 3014 -52.1 0.983   1.108 1.104 0.003 1.003   62.37 30.36 32.01 2.054          
4 A A   2937 3008 -70.3 0.977   1.102 1.102 0.000 1.000   21.99 9.53 12.46 2.307          
5 A A   2917 2974 -56.8 0.981   1.068 1.099 -0.031 0.971   83.05 22.74 60.32 3.653          
6 A A   2900 2932 -32.1 0.989   1.097 1.036 0.062 1.059   22.00 14.33 7.68 1.536          
7 A A   2887 2927 -40.0 0.986   1.037 1.067 -0.029 0.973   26.60 43.84 -17.23 0.607          
8 A A   2875 2914 -39.2 0.987   1.065 1.066 -0.001 0.999   65.89 36.46 29.43 1.807          
9 A A   1712 1655 57.2 1.035   7.295 7.033 0.262 1.037   80.44 32.85 47.59 2.449          
10 A A   1511 1486 25.4 1.017   1.107 1.108 -0.001 0.999   0.54 0.16 0.38 3.411          
11 A A   1485 1467 18.0 1.012   1.104 1.096 0.008 1.007   0.22 0.43 -0.22 0.498          
12 A A   1467 1465 2.0 1.001   1.068 1.071 -0.003 0.997   2.61 5.81 -3.20 0.449          
13 A A   1452 1446 6.7 1.005   1.044 1.046 -0.002 0.998   5.30 7.51 -2.21 0.706          
14 A A   1414 1386 28.2 1.020   1.465 1.396 0.069 1.049   23.67 15.45 8.22 1.532          
15 A A   1393 1353 39.7 1.029   1.400 1.482 -0.082 0.944   7.54 8.16 -0.62 0.924          
16 A A   1317 1288 28.4 1.022   1.641 1.598 0.043 1.027   12.77 10.01 2.76 1.276          
17 A A   1258 1231 27.4 1.022   1.649 1.471 0.178 1.121   59.99 41.24 18.75 1.455          
18 A A   1237 1211 25.9 1.021   1.133 1.541 -0.408 0.735   3.11 14.83 -11.72 0.210          
19 A A   1197 1170 26.2 1.022   1.289 1.449 -0.160 0.890   11.47 16.10 -4.63 0.713          
20 A A   1188 1162 26.1 1.022   2.321 1.685 0.636 1.378   63.59 23.22 40.37 2.739          
21 A A   1067 1053 13.9 1.013   1.525 1.547 -0.022 0.986   0.18 0.41 -0.23 0.445          
22 A A   1055 1029 26.2 1.025   1.619 1.522 0.097 1.064   6.90 3.18 3.72 2.167          
23 A A   1048 1004 43.3 1.043   2.789 2.167 0.622 1.287   56.12 38.01 18.11 1.476          
24 A A   1001 999 2.3 1.002   1.850 1.878 -0.028 0.985   8.74 9.48 -0.74 0.922          
25 A A   963 938 24.5 1.026   2.600 2.459 0.141 1.057   15.11 16.90 -1.79 0.894          
26 A A   906 917 -10.8 0.988   2.128 2.343 -0.215 0.908   43.91 11.48 32.44 3.827          
27 A A   884 877 6.9 1.008   4.444 3.079 1.365 1.443   11.08 22.30 -11.22 0.497          
28 A A   829 837 -8.8 0.989   1.319 1.802 -0.482 0.732   6.09 10.14 -4.04 0.601          
29 A A   757 687 69.5 1.101   1.158 1.194 -0.036 0.970   29.28 27.36 1.92 1.070          
30 A A   699 642 57.4 1.089   3.746 2.532 1.214 1.479   0.45 1.12 -0.67 0.405          
31 A A   604 600 3.4 1.006   4.218 4.126 0.092 1.022   1.56 1.66 -0.10 0.940          
32 A A   551 514 36.7 1.071   3.095 3.591 -0.496 0.862   2.71 3.20 -0.49 0.846          
33 A A   320 316 3.4 1.011   2.578 2.564 0.014 1.005   2.47 2.33 0.14 1.060          
34 A A   219 217 2.6 1.012   2.125 2.010 0.115 1.057   6.37 4.91 1.46 1.297          
35 A A   173 166 6.5 1.039   1.175 1.508 -0.333 0.779   2.25 4.61 -2.36 0.489          
36 A A   67 152 -84.8 0.442   1.971 1.496 0.475 1.317   2.59 1.27 1.32 2.037          
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.