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

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

PBEPBE/STO-3G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A 3398 2308 A1 1090  
2 A 3198 2575 A1 623  
3 A 2818 2678 A1 140  
4 A 1679 1511 A1 168  
5 A 1556 1275 A2 281  
6 A 1310 157 B1 1153  
7 A 1128 759 B1 369  
8 A 963 132 B2 831  
9 A 842 607 B2 235  
10 A 529        
11 A 467        
12 A 397        
The calculated vibrational frequencies were scaled by 0.9136

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.