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

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

CCD/6-31G*

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A 3556 2466 A1 1090  
2 A 3434 2811 A1 623  
3 A 2874 2734 A1 140  
4 A 1787 1619 A1 168  
5 A 1581 1300 A2 281  
6 A 1389 236 B1 1153  
7 A 1243 874 B1 369  
8 A 1042 211 B2 831  
9 A 1006 771 B2 235  
10 A 599        
11 A 544        
12 A 253        
The calculated vibrational frequencies were scaled by 0.9465

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.