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779 B
779 B
How to export molecular geometries?
You need to use the Export geometries
button below the
geometry select box in the DATASET section. This
button allows to export geometries as a {{< newtabref
href=“https://en.wikipedia.org/wiki/ZIP_(file_format)” title=“ZIP”
>}} file containing all the selected molecular geometries in {{<
newtabref href=“https://wikipedia.org/wiki/XYZ_file_format” title=“xyz”
>}} format.
How to export values of excitation energies?
In the DATASET section, above each table there
is an Export table
button which allows to export the data
of the chosen table as {{< newtabref
href=“https://wikipedia.org/wiki/Comma-separated_values” title=“CSV”
>}} file.