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

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

MP2/aug-cc-pVTZ

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1 2995 21 A1 2974  
2 A1 2158 -44 A1 2202  
3 A1 1416 -20 A1 1436  
4 A1 1013 -20 A1 1033  
5 A2 1311 -22 A2 1333  
6 B1 2260 -753 B1 3013  
7 B1 1216 126 B1 1090  
8 B2 3052 818 B2 2234  
9 B2 1072 -162 B2 1234  
The calculated vibrational frequencies were scaled by 0.9529

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.