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

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

MP2=FULL/6-31G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1 2979 5 A1 2974  
2 A1 2146 -56 A1 2202  
3 A1 1460 24 A1 1436  
4 A1 1059 26 A1 1033  
5 A2 1333 0 A2 1333  
6 B1 2245 -768 B1 3013  
7 B1 1290 200 B1 1090  
8 B2 3034 800 B2 2234  
9 B2 1137 -97 B2 1234  
The calculated vibrational frequencies were scaled by 0.9501

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.