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

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

HF/6-31G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1 2929 -45 A1 2974  
2 A1 2113 -89 A1 2202  
3 A1 1462 26 A1 1436  
4 A1 1060 27 A1 1033  
5 A2 1336 3 A2 1333  
6 B1 2202 -811 B1 3013  
7 B1 1289 199 B1 1090  
8 B2 2976 742 B2 2234  
9 B2 1136 -98 B2 1234  
The calculated vibrational frequencies were scaled by 0.9029

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.