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

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

CCSD(T)=FULL/6-31G*

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A 3608 2518 A1 1090  
2 A 3480 2857 A1 623  
3 A 2911 2771 A1 140  
4 A 1780 1612 A1 168  
5 A 1603 1322 A2 281  
6 A 1402 249 B1 1153  
7 A 1260 891 B1 369  
8 A 1050 219 B2 831  
9 A 1009 774 B2 235  
10 A 615        
11 A 547        
12 A 258        
The calculated vibrational frequencies were scaled by 0.9707

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.