! {{ method }} {{ basis_set }} 
! Opt

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

{% endif -%} 

%geom
 scan
  B 12 23 = 2.21803, 1.19935, 21 # B atom1 atom2 = beginning, end, steps 
 end
end

*xyz {{ charge }} {{ mult }}
{{ print_molecule(molecule="Molecule") }}
*
