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

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

QCISD/6-31+G**

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A 3604 2514 A1 1090  
2 A 3468 2845 A1 623  
3 A 2907 2767 A1 140  
4 A 1709 1541 A1 168  
5 A 1576 1295 A2 281  
6 A 1370 217 B1 1153  
7 A 1226 857 B1 369  
8 A 1024 193 B2 831  
9 A 992 757 B2 235  
10 A 587        
11 A 539        
12 A 229        
The calculated vibrational frequencies were scaled by 0.9454

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.