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

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

CCSD(T)/cc-pVDZ

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A 3632 2542 A1 1090  
2 A 3497 2874 A1 623  
3 A 2905 2765 A1 140  
4 A 1794 1626 A1 168  
5 A 1576 1295 A2 281  
6 A 1392 239 B1 1153  
7 A 1250 881 B1 369  
8 A 1054 223 B2 831  
9 A 1008 773 B2 235  
10 A 607        
11 A 548        
12 A 375        
The calculated vibrational frequencies were scaled by 0.9788

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.