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

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

LSDA/aug-cc-pVDZ

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A 3583 2493 A1 1090  
2 A 3434 2811 A1 623  
3 A 2833 2693 A1 140  
4 A 1765 1597 A1 168  
5 A 1517 1236 A2 281  
6 A 1324 171 B1 1153  
7 A 1243 874 B1 369  
8 A 1006 175 B2 831  
9 A 975 740 B2 235  
10 A 638        
11 A 535        
12 A 343        
The calculated vibrational frequencies were scaled by 0.9887

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.