echo start dplot_dft geometry n 0 0 0.53879155 n 0 0 -0.53879155 end basis n library sto-3g end task dft dplot TITLE HOMO LimitXYZ -3.0 3.0 60 -3.0 3.0 60 -3.0 3.0 60 spin total density gaussian output n2density.cube end task dplot