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

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

B3LYP/STO-3G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A 3400 2310 A1 1090  
2 A 3210 2587 A1 623  
3 A 2847 2707 A1 140  
4 A 1674 1506 A1 168  
5 A 1564 1283 A2 281  
6 A 1311 158 B1 1153  
7 A 1136 767 B1 369  
8 A 972 141 B2 831  
9 A 851 616 B2 235  
10 A 524        
11 A 476        
12 A 386        
The calculated vibrational frequencies were scaled by 0.8924

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.