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

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

MP2=FULL/3-21G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1 3003 29 A1 2974  
2 A1 2166 -36 A1 2202  
3 A1 1501 65 A1 1436  
4 A1 1083 50 A1 1033  
5 A2 1379 46 A2 1333  
6 B1 2256 -757 B1 3013  
7 B1 1310 220 B1 1090  
8 B2 3050 816 B2 2234  
9 B2 1154 -80 B2 1234  
The calculated vibrational frequencies were scaled by 0.9548

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.