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

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

B3LYP/STO-3G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 Ag 3100 27 Ag 3073  
2 Ag 1573 -5 Ag 1578  
3 Ag 1194 -80 Ag 1274  
4 Ag 797 -49 Ag 846  
5 Ag 313 -37 Ag 350  
6 Au 877 -23 Au 900  
7 Au 189 -38 Au 227  
8 Bg 696 -67 Bg 763  
9 Bu 3083 -7 Bu 3090  
10 Bu 1121 -79 Bu 1200  
11 Bu 797 -31 Bu 828  
12 Bu 198 -52 Bu 250  
The calculated vibrational frequencies were scaled by 0.8924

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.