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

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

CCD/3-21G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A 3589 2499 A1 1090  
2 A 3463 2840 A1 623  
3 A 2890 2750 A1 140  
4 A 1731 1563 A1 168  
5 A 1663 1382 A2 281  
6 A 1437 284 B1 1153  
7 A 1240 871 B1 369  
8 A 1057 226 B2 831  
9 A 1047 812 B2 235  
10 A 615        
11 A 563        
12 A 400        
The calculated vibrational frequencies were scaled by 0.9723

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.