How to build an input file

• Introductory remarks.
• Header lines
• Directives
  • VAR  Definition and variation of variables (block)
  • XYZ  Cartesian coordinates (block)
  • TPP  Euler angles (block)
  • RTP  Polar coordinates (block)
  • AOM  AOM parameters (block)
  • CON  Connected ligands (block)
  • VEE  Electron repulsion parameters (line)
  • HSO  Spin-orbit parameters (line)
  • HMG  Magnetic field parameters (line)
  • TRE  Trees parameter (line)
  • EXP  Experimental data (block)
    • Assignment with symmetry.
    • Assignment without symmetry.
  • BAS  Basis set restriction (block)
    • Minimal spin multiplicity.
    • Minimal and maximal orbital occupations.
  • CTL  Control options (line)
  • RUN  Start a run (line)