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

Compare vibrational frequencies in CCCBDB for CHCl3 (Chloroform)


Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1 3148 114 A1 3034  
2 A1 574 -106 A1 680  
3 A1 308 -58 A1 366  
4 E 1155 -64 E 1220  
5 E 627 -147 E 774  
6 E 223 -37 E 260  
The calculated vibrational frequencies were scaled by 0.9945

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.