{#
software = "orca"
jobtype = "solvator"
requires = ["charge", "mult", "nprocs", "mem", "Molecule", "solvent"]
description = "Explicit solvation shell generation at XTB level"
#}
! XTB ALPB({{ solvent }})

%solvator nsolv 5 end

%pal
 nprocs {{ nprocs }}
end

%maxcore {{ mem }}

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