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

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

QCISD(T)/cc-pVTZ

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A 3555 2465 A1 1090  
2 A 3421 2798 A1 623  
3 A 2827 2687 A1 140  
4 A 1710 1542 A1 168  
5 A 1537 1256 A2 281  
6 A 1351 198 B1 1153  
7 A 1209 840 B1 369  
8 A 1008 177 B2 831  
9 A 989 754 B2 235  
10 A 597        
11 A 533        
12 A 191        
The calculated vibrational frequencies were scaled by 0.9486

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.