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    • 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)
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MOPAC
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Examples¶

The $AMSHOME/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)
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