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

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

QCISD/6-31G**

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A 3605 2515 A1 1090  
2 A 3471 2848 A1 623  
3 A 2877 2737 A1 140  
4 A 1740 1572 A1 168  
5 A 1571 1290 A2 281  
6 A 1377 224 B1 1153  
7 A 1228 859 B1 369  
8 A 1023 192 B2 831  
9 A 999 764 B2 235  
10 A 599        
11 A 535        
12 A 194        
The calculated vibrational frequencies were scaled by 0.9414

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.