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

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

B3LYP/cc-pVTZ

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A 3589 2499 A1 1090  
2 A 3455 2832 A1 623  
3 A 2829 2689 A1 140  
4 A 1741 1573 A1 168  
5 A 1560 1279 A2 281  
6 A 1372 219 B1 1153  
7 A 1224 855 B1 369  
8 A 1018 187 B2 831  
9 A 1009 774 B2 235  
10 A 623        
11 A 548        
12 A 196        
The calculated vibrational frequencies were scaled by 0.9651

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.