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

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

CCSD(T)/aug-cc-pVDZ

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A 3661 2571 A1 1090  
2 A 3513 2890 A1 623  
3 A 2940 2800 A1 140  
4 A 1725 1557 A1 168  
5 A 1587 1306 A2 281  
6 A 1371 218 B1 1153  
7 A 1239 870 B1 369  
8 A 1028 197 B2 831  
9 A 1002 767 B2 235  
10 A 610        
11 A 544        
12 A 113        
The calculated vibrational frequencies were scaled by 0.9817

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.