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Compare vibrational frequencies for two calculations for Si2H4 (Disilene)


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 Ag Ag   2182 2209 -27.3 0.988   1.029 1.029 -0.000 1.000   0.00 0.00 0.00     331.50 327.42 4.08 1.012
2 Ag Ag   930 921 8.6 1.009   1.089 1.090 -0.001 0.999   0.00 0.00 0.00     18.49 22.03 -3.54 0.839
3 Ag Ag   574 567 7.3 1.013   7.709 7.626 0.083 1.011   0.00 0.00 0.00     149.66 42.48 107.17 3.523
4 Au Au   528 525 3.6 1.007   1.008 1.008 0.000 1.000   0.00 0.00 0.00     0.00 0.00 0.00  
5 B1u B1u   2172 2203 -31.0 0.986   1.026 1.026 0.000 1.000   161.40 84.85 76.54 1.902   0.00 0.00 0.00  
6 B1u B1u   853 845 7.8 1.009   1.057 1.058 -0.000 1.000   124.12 134.81 -10.69 0.921   0.00 0.00 0.00  
7 B2g B2g   90i 245i 155.6 0.366   1.218 1.216 0.001 1.001   0.00 0.00 0.00     125.90 50.15 75.75 2.510
8 B2u B2u   2198 2239 -40.8 0.982   1.057 1.058 -0.000 1.000   253.18 165.96 87.22 1.526   0.00 0.00 0.00  
9 B2u B2u   354 339 15.1 1.044   1.026 1.026 0.000 1.000   29.82 18.20 11.62 1.638   0.00 0.00 0.00  
10 B3g B3g   2190 2230 -40.4 0.982   1.055 1.056 -0.001 0.999   0.00 0.00 0.00     186.22 167.09 19.13 1.114
11 B3g B3g   584 575 9.6 1.017   1.239 1.237 0.002 1.002   0.00 0.00 0.00     8.03 9.01 -0.98 0.891
12 B3u B3u   560 497 62.7 1.126   1.078 1.078 0.000 1.000   10.23 1.58 8.65 6.477   0.00 0.00 0.00  
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.