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Compare vibrational frequencies for two calculations for N2O4 (Dinitrogen tetroxide)


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   1450 1331 119.2 1.090   15.224 15.152 0.072 1.005   0.00 0.00 0.00     46.89      
2 Ag Ag   862 754 108.8 1.144   15.052 15.184 -0.132 0.991   0.00 0.00 0.00     20.36      
3 Ag Ag   414 237 177.0 1.746   15.545 15.481 0.064 1.004   0.00 0.00 0.00     27.66      
4 Au Au   59 99 -39.7 0.597   15.995 15.995 0.000 1.000   0.00 0.00 0.00     0.00      
5 B1u B1u   1386 1213 172.6 1.142   15.321 15.396 -0.075 0.995   435.51 386.13 49.38 1.128   0.00      
6 B1u B1u   794 689 105.2 1.153   15.162 15.089 0.073 1.005   223.19 219.82 3.37 1.015   0.00      
7 B2g B2g   807 597 209.9 1.352   14.266 14.291 -0.025 0.998   0.00 0.00 0.00     1.35      
8 B2u B2u   1831 1867 -35.6 0.981   14.616 14.619 -0.003 1.000   1197.45 209.78 987.67 5.708   0.00      
9 B2u B2u   334 181 152.6 1.842   15.922 15.919 0.003 1.000   0.10 0.20 -0.10 0.506   0.00      
10 B3g B3g   1807 1837 -30.4 0.983   14.506 14.594 -0.088 0.994   0.00 0.00 0.00     2.06      
11 B3g B3g   578 447 130.9 1.293   15.581 15.507 0.074 1.005   0.00 0.00 0.00     5.45      
12 B3u B3u   534 374 159.9 1.427   14.555 14.555 0.000 1.000   46.10 9.06 37.04 5.089   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.