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

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

QCISD/6-31G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A 3598 2508 A1 1090  
2 A 3463 2840 A1 623  
3 A 2903 2763 A1 140  
4 A 1659 1491 A1 168  
5 A 1616 1335 A2 281  
6 A 1373 220 B1 1153  
7 A 1247 878 B1 369  
8 A 1037 206 B2 831  
9 A 991 756 B2 235  
10 A 612        
11 A 543        
12 A 442        
The calculated vibrational frequencies were scaled by 0.9636

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.