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

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

HF/CEP-121G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1 2919 -55 A1 2974  
2 A1 2102 -100 A1 2202  
3 A1 1455 19 A1 1436  
4 A1 1054 21 A1 1033  
5 A2 1332 -1 A2 1333  
6 B1 2202 -811 B1 3013  
7 B1 1279 189 B1 1090  
8 B2 2975 741 B2 2234  
9 B2 1128 -106 B2 1234  
The calculated vibrational frequencies were scaled by 0.9125

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.