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

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

QCISD/3-21G*

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A 3523 2433 A1 1090  
2 A 3397 2774 A1 623  
3 A 2837 2697 A1 140  
4 A 1666 1498 A1 168  
5 A 1627 1346 A2 281  
6 A 1401 248 B1 1153  
7 A 1215 846 B1 369  
8 A 1036 205 B2 831  
9 A 1019 784 B2 235  
10 A 614        
11 A 548        
12 A 402        
The calculated vibrational frequencies were scaled by 0.9611

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.