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

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

BLYP/STO-3G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A 3375 2285 A1 1090  
2 A 3174 2551 A1 623  
3 A 2815 2675 A1 140  
4 A 1660 1492 A1 168  
5 A 1573 1292 A2 281  
6 A 1312 159 B1 1153  
7 A 1124 755 B1 369  
8 A 954 123 B2 831  
9 A 833 598 B2 235  
10 A 531        
11 A 470        
12 A 397        
The calculated vibrational frequencies were scaled by 0.9252

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.