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

Compare vibrational frequencies in CCCBDB for CHClCHCl (Ethene, 1,2-dichloro-, (E)-)

QCISD/3-21G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 Ag 3163 90 Ag 3073  
2 Ag 1605 27 Ag 1578  
3 Ag 1260 -14 Ag 1274  
4 Ag 729 -117 Ag 846  
5 Ag 306 -44 Ag 350  
6 Au 920 20 Au 900  
7 Au 193 -34 Au 227  
8 Bg 786 23 Bg 763  
9 Bu 3156 66 Bu 3090  
10 Bu 1190 -10 Bu 1200  
11 Bu 681 -147 Bu 828  
12 Bu 214 -36 Bu 250  
The calculated vibrational frequencies were scaled by 0.9692

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.