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

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

CCSD/cc-pVDZ

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A 3543 2453 A1 1090  
2 A 3413 2790 A1 623  
3 A 2841 2701 A1 140  
4 A 1769 1601 A1 168  
5 A 1540 1259 A2 281  
6 A 1364 211 B1 1153  
7 A 1222 853 B1 369  
8 A 1034 203 B2 831  
9 A 994 759 B2 235  
10 A 590        
11 A 538        
12 A 348        
The calculated vibrational frequencies were scaled by 0.9473

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.