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Compare vibrational frequencies for two calculations for ND2 (Amidogen-d2)


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)
mode number A B   A B diff. ratio   A B diff. ratio   A B diff. ratio
1 A1 A1   2343 3227 -883.5 0.726     1.050     1.41 8.78 0.161
2 A1 A1   1129 1540 -410.5 0.733     1.092     18.73 26.30 0.712
3 B2 B2   2452 3341 -888.8 0.734     1.090     1.93 5.84 0.331
scaled by     0.8985 0.943

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.