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

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

QCISD/3-21G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1 3154 77 A1 3077  
2 A1 1611 24 A1 1587  
3 A1 1181 2 A1 1179  
4 A1 590 -121 A1 711  
5 A1 159 -14 A1 173  
6 A2 920 44 A2 876  
7 A2 380 -26 A2 406  
8 B1 718 21 B1 697  
9 B2 3128 56 B2 3072  
10 B2 1286 -17 B2 1303  
11 B2 744 -113 B2 857  
12 B2 497 -74 B2 571  
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.