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TurbomoleΒΆ

  • program
  • module
    • title
    • ricc2
    • atomcoord
    • population.analysis
      • populations
      • spin.density
    • basisset
    • symmetry
    • ground.state
    • orbitals
    • excitation
    • totalroots
    • cosmo
    • electrostatic.moments
    • orbitalenergies
      • restricted.orbitals
        • orbital.line
      • orbital.line
      • unrestricted.orbitals
    • molecular.orbitals.statistics
    • s2
    • convergence.info
    • nuclear.repulsion
    • energy
    • zero.point.energy
    • fit.pointcharges
  • program.end
  • electrostatic.moments
  • turbomole.basis
  • turbomole.control
    • atoms
    • methods
    • vibrations
      • normal
      • spectrum
    • dispersion
    • soes
    • parameters
    • orbitals.control
      • restrictedorbitals
      • unrestrictedorbitals
  • turbomole.coord
    • coord
    • restrictions
  • turbomole.energy
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