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

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

B1B95/cc-pVTZ

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A 3604 2514 A1 1090  
2 A 3467 2844 A1 623  
3 A 2835 2695 A1 140  
4 A 1762 1594 A1 168  
5 A 1549 1268 A2 281  
6 A 1364 211 B1 1153  
7 A 1230 861 B1 369  
8 A 1014 183 B2 831  
9 A 1008 773 B2 235  
10 A 622        
11 A 541        
12 A 205        
The calculated vibrational frequencies were scaled by 0.9571

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.