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

Compare vibrational frequencies in CCCBDB for CF2Cl2 (difluorodichloromethane)

DREIDING

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1   -1101 A1 1101  
2   -667 A1 667  
3   -458 A1 458  
4   -262 A1 262  
5   -322 A2 322  
6   -902 B1 902  
7   -437 B1 437  
8   -1159 B2 1159 B1 B2 switched from intensity ref
9   -446 B2 446  
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.