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

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

CCD/6-31+G**

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A 3611 2521 A1 1090  
2 A 3475 2852 A1 623  
3 A 2910 2770 A1 140  
4 A 1745 1577 A1 168  
5 A 1580 1299 A2 281  
6 A 1380 227 B1 1153  
7 A 1230 861 B1 369  
8 A 1031 200 B2 831  
9 A 1001 766 B2 235  
10 A 585        
11 A 543        
12 A 227        
The calculated vibrational frequencies were scaled by 0.9423

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.