Examples

The $ADFHOME/examples/mopac directory contains many different example files, covering various MOPAC options. This is a selection of relevant examples.

• Example: GeoOpt+Frequencies of different O2 spin states
• Example: Polarizability and hyperpolarizabilities
• Example: Phonons
• Example: Geometry optimization of polyethylene
• Example: External electric field
• Example: Camp-King Converger
• Example: pKa prediction (PLAMS)