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Compare vibrational frequencies for two calculations for ClCO (carbonyl monochloride)


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'   1947 1883 64.7 1.034   13.559 13.493 0.066 1.005   524.49 526.94 -2.46 0.995          
2 A' A'   518 609 -91.3 0.850   13.254 13.246 0.008 1.001   66.73 148.31 -81.58 0.450          
3 A' A'   174 359 -184.7 0.485   18.712 18.863 -0.151 0.992   83.93 32.77 51.15 2.561          
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.