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

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

CISD/6-31G*

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1 1106 16 A1 1090  
2 A1 598 -25 A1 623  
3 A1 329 189 A1 140  
4 A1 167 -1 A1 168  
5 A2 274 -7 A2 281  
6 B1 1190 37 B1 1153  
7 B1 351 -18 B1 369  
8 B2 814 -17 B2 831  
9 B2 318 83 B2 235  
The calculated vibrational frequencies were scaled by 0.9258

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.