Summary of MOPAC capabilities

1. MNDO, MINDO/3, AM1, and PM3 Hamiltonians.
2. Restricted Hartree-Fock (RHF) and Unrestricted Hartree-Fock (UHF) methods.
3. Extensive Configuration Interaction
   1. 100 configurations
   2. Singlets, Doublets, Triplets, Quartets, Quintets, and Sextets
   3. Excited states
   4. Geometry optimizations, etc., on specified states
4. Single SCF calculation
5. Geometry optimization
6. Gradient minimization
7. Transition state location
8. Reaction path coordinate calculation
9. Force constant calculation
10. Normal coordinate analysis
11. Transition dipole calculation
12. Thermodynamic properties calculation
13. Localized orbitals
14. Covalent bond orders
15. Bond analysis into sigma and pi contributions
16. One dimensional polymer calculation
17. Dynamic Reaction Coordinate calculation
18. Intrinsic Reaction Coordinate calculation