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

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

DREIDING

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1   -3073 Ag 3073  
2   -1578 Ag 1578  
3   -1274 Ag 1274  
4   -846 Ag 846  
5   -350 Ag 350  
6   -900 Au 900  
7   -227 Au 227  
8   -763 Bg 763  
9   -3090 Bu 3090  
10   -1200 Bu 1200  
11   -828 Bu 828  
12   -250 Bu 250  
The calculated vibrational frequencies were scaled by 0.936

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.