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

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

QCISD/cc-pVDZ

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A 3585 2495 A1 1090  
2 A 3453 2830 A1 623  
3 A 2869 2729 A1 140  
4 A 1775 1607 A1 168  
5 A 1557 1276 A2 281  
6 A 1376 223 B1 1153  
7 A 1235 866 B1 369  
8 A 1042 211 B2 831  
9 A 1003 768 B2 235  
10 A 597        
11 A 543        
12 A 349        
The calculated vibrational frequencies were scaled by 0.9594

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.