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Example inputfiles

A set with many more examples is provided in the $ADFHOME/examples/quild directory.

Vibrational frequencies for multi-level QM/QM scheme
Symmetry rotation with Td symmetry for geometry and C2v for orbitals
Optimization with B3LYP through the post-SCF METAGGA scheme
Optimization with B3LYP as SCF functional
Geometry optimization with QM/MM treatment of water dimer
LinearTransit run for bimolecular nucleophilic reaction of F- and CH3Cl
Geometry optimization of pure spin state for spin-contaminated system
LinearTransit run for water dimer
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