{#
software = "orca"
jobtype = "goat"
requires = ["charge", "mult", "nprocs", "mem", "Molecule"]
description = "Conformer sampling with GOAT at XTB level"
#}
! XTB GOAT{% if solvation %} ALPB({{ solvent }}){% endif %}

%pal
 nprocs {{ nprocs }}
end

%maxcore {{ mem }}

*xyz {{ charge }} {{ mult }}
{{ print_coords(molecule = Molecule) }}
*
