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

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

LSDA/6-31G**

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A' 3589 2499 A1 1090  
2 A1 607 -16 A1 623  
3 A' 2798 2658 A1 140  
4 A1 164 -4 A1 168  
5 A' 1517 1236 A2 281  
6 B1 1219 66 B1 1153  
7 A' 1243 874 B1 369  
8 B2 773 -58 B2 831  
9 A' 530 295 B2 235  
10 A" 984        
11 A" 646        
12 A" 273        
The calculated vibrational frequencies were scaled by 0.9813

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.