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IV.C.1. (XIII.D.1.)

Compare vibrational frequencies in CCCBDB for CH2D2 (methane-d2)

MP2/6-31G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1 2999 25 A1 2974  
2 A1 2160 -42 A1 2202  
3 A1 1470 34 A1 1436  
4 A1 1067 34 A1 1033  
5 A2 1343 10 A2 1333  
6 B1 2260 -753 B1 3013  
7 B1 1299 209 B1 1090  
8 B2 3055 821 B2 2234  
9 B2 1144 -90 B2 1234  
The calculated vibrational frequencies were scaled by 0.9568

See section XIII.C.3 List or set vibrational scaling factors to change the scale factors used here.
See section III.B.3.c Calculate a vibrational scaling factor for a set of molecules to determine the least squares best scaling factor.
See section III.B.3.b List of vibrational scaling factors and their uncertainties for information on where the above scaling factor is from.