--@
extension = "inp"
--@
! {{ dft_level }} {{ dft_basis_set }} 
! Opt freq D3BJ

%pal
 nprocs {{ nprocs }}
end

%maxcore {{ memory }} 

{% if solvation -%}
%cpcm
 smd true
 smdsolvent "{{ solvent }}"
end

{% endif -%} 

{% if start_hessian -%}
%Geom
 InHess Read
 InHessName "{{ molecule.filename }}.hess"
end

{% endif -%} 

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