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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 3500 2410 A1 1090  
2 A 3379 2756 A1 623  
3 A 2837 2697 A1 140  
4 A 1679 1511 A1 168  
5 A 1617 1336 A2 281  
6 A 1399 246 B1 1153  
7 A 1210 841 B1 369  
8 A 1041 210 B2 831  
9 A 1021 786 B2 235  
10 A 613        
11 A 547        
12 A 425        
The calculated vibrational frequencies were scaled by 0.9344

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.