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

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

AM1

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1   -2974 A1 2974  
2   -2202 A1 2202  
3   -1436 A1 1436  
4   -1033 A1 1033  
5   -1333 A2 1333  
6   -3013 B1 3013  
7   -1090 B1 1090  
8   -2234 B2 2234  
9   -1234 B2 1234  
The calculated vibrational frequencies were scaled by 0.9535

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.