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

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

QCISD/6-311G**

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A 3584 2494 A1 1090  
2 A 3460 2837 A1 623  
3 A 2859 2719 A1 140  
4 A 1757 1589 A1 168  
5 A 1569 1288 A2 281  
6 A 1381 228 B1 1153  
7 A 1228 859 B1 369  
8 A 1038 207 B2 831  
9 A 1005 770 B2 235  
10 A 595        
11 A 543        
12 A 360        
The calculated vibrational frequencies were scaled by 0.9541

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.