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

Compare vibrational frequencies in CCCBDB for C2F6 (hexafluoroethane)

MP2/CEP-31G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1g 1273 -147 A1g 1420  
2 A1g 675 -134 A1g 809  
3 A1g 311 -38 A1g 349  
4 A1u 56 -12 A1u 68  
5 A2u 969 -148 A2u 1117  
6 A2u 589 -125 A2u 714  
7 Eg 1064 -173 Eg 1237  
8 Eg 527 -93 Eg 620  
9 Eg 324 -56 Eg 380  
10 Eu 1073 -177 Eu 1251  
11 Eu 436 -87 Eu 523  
12 Eu 195 -21 Eu 216  
The calculated vibrational frequencies were scaled by 0.9663

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.