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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 3560 2470 A1 1090  
2 A 3437 2814 A1 623  
3 A 2879 2739 A1 140  
4 A 1756 1588 A1 168  
5 A 1582 1301 A2 281  
6 A 1384 231 B1 1153  
7 A 1243 874 B1 369  
8 A 1038 207 B2 831  
9 A 1002 767 B2 235  
10 A 604        
11 A 541        
12 A 250        
The calculated vibrational frequencies were scaled by 0.9523

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.