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

Compare vibrational frequencies in CCCBDB for GeF2 (Germanium difluoride)

LSDA/STO-3G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1 693 1 A1 692 nu1 and nu3 switched in original (1968Has/Hau:4492)
2 A1 314 51 A1 263  
3 B2 536 -127 B2 663 nu1 and nu3 switched in original (1968Has/Hau:4492)
The calculated vibrational frequencies were scaled by 0.8955

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.