BH3 optimisation mo=1 MO coefficients +4 -7.197589 -7.197589 -7.197589 BOHR isosurface ID "isosurface1" select ({0:3}) sign [xff0000] [x0000ff] /*file*/"F:/Compuational/mod 2 inorganic/BH3/cube files/BH3_MO1.cub"; isosurface ID "isosurface1" fill noMesh noDots notFrontOnly frontlit; -}bH' %M%}%7 %L'J)I)J(K~%0 }%6 'J)I)I*H)J(L$})5 %K)I)H+G+H*H)K~%0 }(5 %K)I*G+G+H*H)J'}S5 (I)I*H*H)I)K%}U5 %L(I)I)I)J'}$7 ~%0 K'L%}6H'