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

Compare vibrational frequencies in CCCBDB for CF2Cl2 (difluorodichloromethane)

LSDA/3-21G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1 1124 23 A1 1101  
2 A1 602 -65 A1 667  
3 A1 392 -66 A1 458  
4 A1 230 -32 A1 262  
5 A2 274 -48 A2 322  
6 B1 747 -155 B1 902  
7 B1 374 -63 B1 437  
8 B2 1284 125 B2 1159 B1 B2 switched from intensity ref
9 B2 371 -75 B2 446  
The calculated vibrational frequencies were scaled by 0.9836

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.