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

Compare vibrational frequencies in CCCBDB for CBr2F2 (Methane, dibromodifluoro-)

LSDA/aug-cc-pVTZ

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A 3664 2574 A1 1090  
2 A 3518 2895 A1 623  
3 A 2877 2737 A1 140  
4 A 1809 1641 A1 168  
5 A 1553 1272 A2 281  
6 A 1367 214 B1 1153  
7 A 1273 904 B1 369  
8 A 1033 202 B2 831  
9 A 1003 768 B2 235  
10 A 651        
11 A 552        
12 A 323        
The calculated vibrational frequencies were scaled by 1.0111

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.