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

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

LSDA/cc-pVTZ

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A 3589 2499 A1 1090  
2 A 3445 2822 A1 623  
3 A 2801 2661 A1 140  
4 A 1787 1619 A1 168  
5 A 1516 1235 A2 281  
6 A 1341 188 B1 1153  
7 A 1246 877 B1 369  
8 A 1010 179 B2 831  
9 A 987 752 B2 235  
10 A 645        
11 A 539        
12 A 294        
The calculated vibrational frequencies were scaled by 0.9885

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.