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

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

CCD/3-21G*

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1 2954 -20 A1 2974  
2 A1 2131 -71 A1 2202  
3 A1 1481 45 A1 1436  
4 A1 1069 36 A1 1033  
5 A2 1360 27 A2 1333  
6 B1 2216 -797 B1 3013  
7 B1 1294 204 B1 1090  
8 B2 2996 762 B2 2234  
9 B2 1140 -94 B2 1234  
The calculated vibrational frequencies were scaled by 0.9565

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.