NH3 optimisation mo=1 MO coefficients+4 -6.760852 -5.072420 -5.483239 BOHR34 0.17639223 0.0 0.0 34 0.0 0.17639223 0.0 34 0.0 0.0 0.17639223 isosurface ID "isosurface1" select ({0:3}) /*file*/"cache://isosurface_isosurface1"; isosurface ID "isosurface1" fill noMesh noDots notFrontOnly frontlit; color isosurface translucent 0.5; color $isosurface1 "roygb" range -1.0 1.0; -}_(% $C~%0 C%}a. $C'@(A'A'}=. ~%0 A(@)?)@'B%}v- ~%0 A(@)?)@'B%}>. 'A'A'A'}(/ %C%}')%