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

Compare vibrational frequencies in CCCBDB for C2H2O2 (Ethanedial)

B1B95/3-21G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 Ag 2866 23 Ag 2843  
2 Ag 1671 -74 Ag 1745  
3 Ag 1330 -8 Ag 1338  
4 Ag 982 -83 Ag 1065  
5 Ag 527 -24 Ag 551  
6 Au 829 28 Au 801  
7 Au 195 68 Au 127  
8 Bg 1069 21 Bg 1048  
9 Bu 2865 30 Bu 2835  
10 Bu 1664 -68 Bu 1732  
11 Bu 1291 -21 Bu 1312  
12 Bu 293 -46 Bu 339  
The calculated vibrational frequencies were scaled by 0.9567

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.