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

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

LSDA/STO-3G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A 3457 2367 A1 1090  
2 A 3255 2632 A1 623  
3 A 2804 2664 A1 140  
4 A 1696 1528 A1 168  
5 A 1489 1208 A2 281  
6 A 1297 144 B1 1153  
7 A 1122 753 B1 369  
8 A 930 99 B2 831  
9 A 861 626 B2 235  
10 A 536        
11 A 462        
12 A 170        
The calculated vibrational frequencies were scaled by 0.8955

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.