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

Compare vibrational frequencies in CCCBDB for C2F6 (hexafluoroethane)

MP2/CEP-121G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1g 1292 -128 A1g 1420  
2 A1g 679 -130 A1g 809  
3 A1g 314 -35 A1g 349  
4 A1u 67 -1 A1u 68  
5 A2u 976 -141 A2u 1117  
6 A2u 595 -119 A2u 714  
7 Eg 1074 -163 Eg 1237  
8 Eg 533 -87 Eg 620  
9 Eg 327 -53 Eg 380  
10 Eu 1082 -168 Eu 1251  
11 Eu 437 -85 Eu 523  
12 Eu 200 -16 Eu 216  
The calculated vibrational frequencies were scaled by 0.976

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.