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

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

CISD/3-21G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A 3518 2428 A1 1090  
2 A 3396 2773 A1 623  
3 A 2850 2710 A1 140  
4 A 1687 1519 A1 168  
5 A 1625 1344 A2 281  
6 A 1406 253 B1 1153  
7 A 1216 847 B1 369  
8 A 1046 215 B2 831  
9 A 1026 791 B2 235  
10 A 616        
11 A 550        
12 A 427        
The calculated vibrational frequencies were scaled by 0.939

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.