Gaussian98 and Gaussian03 interface

MOLDRAW is able to export input files and import output files for the Gaussian molecular ab-initio suite of programs. At the moment only geometries and vibrational frequencies are visualized whereas 3D rendering of electron densities or molecular orbitals are not supported.

ONIOM results are also recovered, even if the high/low zones cannot be worked out from the Gaussian output file. ONIOM layers can be recovered from the input .GJF file.

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Subtopics: Export input Optimization Frequencies Import input ONIOM setup