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

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

LSDA/3-21G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1 3010 36 A1 2974  
2 A1 2168 -34 A1 2202  
3 A1 1451 15 A1 1436  
4 A1 1037 4 A1 1033  
5 A2 1345 12 A2 1333  
6 B1 2268 -745 B1 3013  
7 B1 1245 155 B1 1090  
8 B2 3066 832 B2 2234  
9 B2 1097 -137 B2 1234  
The calculated vibrational frequencies were scaled by 0.9836

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.