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CFOUR_UNITSΒΆ

Specifies the units used for molecular geometry input. ANGSTROM (= 0) uses Angstrom units, BOHR (= 1) specifies atomic units. PSI4 Interface: Keyword set from active molecule, always ANGSTROM.

  • Type: string
  • Possible Values: ANGSTROM, BOHR
  • Default: ANGSTROM

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