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

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

B3LYP/CEP-31G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A 3626 2536 A1 1090  
2 A 3473 2850 A1 623  
3 A 2925 2785 A1 140  
4 A 1635 1467 A1 168  
5 A 1573 1292 A2 281  
6 A 1347 194 B1 1153  
7 A 1218 849 B1 369  
8 A 1006 175 B2 831  
9 A 982 747 B2 235  
10 A 629        
11 A 525        
12 A 497        
The calculated vibrational frequencies were scaled by 0.9684

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.