====== Table of Contents ======

  * [[Introduction to Molpro]]
  * [[Molpro on the www]]
  * [[References]]
  * [[Installation guide]]
  * [[Recent changes]]
  * [[https://www.molpro.net/info/basis.php|Basis Library]]

  - [[Quickstart]]
  - [[How to read this manual]]
  - [[Running Molpro]]
  - [[Running Molpro on parallel computers]]
  - [[gmolpro graphical user interface]]
  - [[Definition of Molpro input language]]
  - [[General program structure]]
  - [[Introductory examples]]
  - [[General hints - frequently asked questions]]
  - [[Program control]]
  - [[File handling]]
  - [[Variables]]
  - [[Tables and plotting]]
  - [[Molecular geometry]]
  - [[Basis input]]
  - [[Effective core potentials]]
  - [[Core polarization potentials]]
  - [[Integration]]
  - [[Density fitting]]
  - [[The SCF program]]
  - [[The density functional program]]
  - [[Time-dependent density functional theory]]
  - [[Møller Plesset perturbation theory]]
  - [[The closed shell CCSD program]]
  - [[Excited states with equation-of-motion CCSD (EOM-CCSD)]]
  - [[Open-shell coupled cluster theories]]
  - [[Explicitly correlated methods]]
  - [[Orbital localization]]
  - [[Intrinsic basis bonding analysis (IAO/IBO)]]
  - [[Local correlation methods with pair natural orbitals (PNOs)]]
  - [[Multireference local correlation methods (PNO-CASPT2)]]
  - [[PAO-based local correlation treatments]]
  - [[Local methods for excited states]]
  - [[The MCSCF program MULTI]]
  - [[The VB program CASVB]]
  - [[The NEVPT2 program]]
  - [[Automated construction of atomic valence active spaces]]
  - [[The MRCI program]]
  - [[Multireference Rayleigh Schrödinger perturbation theory]]
  - [[Internally contracted multireference coupled-cluster theory]]
  - [[The MRCC program of M. Kallay (MRCC)]]
  - [[The full CI program]]
  - [[Energy gradients]]
  - [[Geometry optimization (OPTG)]]
  - [[Harmonic vibrational frequencies (FREQUENCIES)]]
  - [[PES generators]]
  - [[PES transformations]]
  - [[Vibrational SCF programs]]
  - [[Vibration correlation programs]]
  - [[Processing of rovibrational line lists (DAT2GR)]]
  - [[Vibrational perturbation theory (VPT2)]]
  - [[Franck-Condon calculations]]
  - [[Properties and expectation values]]
  - [[Relativistic corrections]]
  - [[Spin-orbit-coupling]]
  - [[Basis set extrapolation]]
  - [[The COSMO model]]
  - [[Dump density or orbital values (CUBE)]]
  - [[Non adiabatic coupling matrix elements]]
  - [[Quasi-diabatization]]
  - [[Ab initio multiple spawning dynamics]]
  - [[SMILES]]
  - [[Symmetry-adapted intermolecular perturbation theory]]
  - [[Kohn-Sham random-phase approximation]]
  - [[Chemical shieldings, magnetizability, and rotational g-tensor]]
  - [[Minimization of functions]]
  - [[Nuclear-electronic orbital method]]
  - [[Instantons]]
  - [[QM/MM interfaces]]
  - [[Periodic-boundary conditions]]
  - [[Projection-based WF-in-DFT embedding]]
  - [[Region]]
  - [[The TDHF and TDKS programs]]
  - [[Orbital merging]]
  - [[Matrix operations]]
  - [[Post-processing of output and databases]]
  - [[Physical constants]]

  * [[Density functional descriptions]]
  * [[License information]]
  * [[Index]]