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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 3553 2463 A1 1090  
2 A 3425 2802 A1 623  
3 A 2860 2720 A1 140  
4 A 1680 1512 A1 168  
5 A 1640 1359 A2 281  
6 A 1413 260 B1 1153  
7 A 1225 856 B1 369  
8 A 1044 213 B2 831  
9 A 1028 793 B2 235  
10 A 619        
11 A 552        
12 A 406        
The calculated vibrational frequencies were scaled by 0.9692

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.