File Types

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Tony Schaefer edited this page Feb 11, 2021 · 5 revisions

Readable File Types

XYZ (.xyz)
Gaussian input file (.gjf/.com)
Gaussian output file (.log)
ORCA output file (.out)
Psi4 output file (.dat)
Formatted checkpoint file (.fchk, structure only)

Writable File Types

XYZ (.xyz)

SEQCROW also has a tool that can be used to build and export Gaussian, ORCA, or Psi4 input files.