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

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

PBEPBE/3-21G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A' 3526 2436 A1 1090  
2 A1 557 -66 A1 623  
3 A' 2812 2672 A1 140  
4 A1 151 -17 A1 168  
5 A' 1599 1318 A2 281  
6 B1 1178 25 B1 1153  
7 A' 1228 859 B1 369  
8 B2 726 -105 B2 831  
9 A' 542 307 B2 235  
10 A" 1028        
11 A" 663        
12 A" 474        
The calculated vibrational frequencies were scaled by 0.9909

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.