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

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

LSDA/cc-pVDZ

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A 3584 2494 A1 1090  
2 A 3430 2807 A1 623  
3 A 2788 2648 A1 140  
4 A 1814 1646 A1 168  
5 A 1489 1208 A2 281  
6 A 1332 179 B1 1153  
7 A 1245 876 B1 369  
8 A 1002 171 B2 831  
9 A 987 752 B2 235  
10 A 650        
11 A 535        
12 A 236        
The calculated vibrational frequencies were scaled by 0.989

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.