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

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

B3PW91/STO-3G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A 3408 2318 A1 1090  
2 A 3219 2596 A1 623  
3 A 2844 2704 A1 140  
4 A 1683 1515 A1 168  
5 A 1553 1272 A2 281  
6 A 1308 155 B1 1153  
7 A 1136 767 B1 369  
8 A 974 143 B2 831  
9 A 854 619 B2 235  
10 A 521        
11 A 474        
12 A 385        
The calculated vibrational frequencies were scaled by 0.885

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.