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

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

MP2/CEP-121G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A 3626 2536 A1 1090  
2 A 3464 2841 A1 623  
3 A 2942 2802 A1 140  
4 A 1662 1494 A1 168  
5 A 1591 1310 A2 281  
6 A 1364 211 B1 1153  
7 A 1232 863 B1 369  
8 A 1024 193 B2 831  
9 A 960 725 B2 235  
10 A 607        
11 A 524        
12 A 380        
The calculated vibrational frequencies were scaled by 0.976

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.