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

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

QCISD(T)/cc-pVDZ

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A 3535 2445 A1 1090  
2 A 3403 2780 A1 623  
3 A 2825 2685 A1 140  
4 A 1743 1575 A1 168  
5 A 1533 1252 A2 281  
6 A 1353 200 B1 1153  
7 A 1215 846 B1 369  
8 A 1024 193 B2 831  
9 A 980 745 B2 235  
10 A 591        
11 A 533        
12 A 364        
The calculated vibrational frequencies were scaled by 0.9531

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.