NH3 optimisation mo=2 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 $isosurface1 "roygb" range -1.0 1.0; -}RN$ '@)>+=+=+=+>)@'}G, '@)>+~;0 -;-:/9/9.;-;,>)}!+ '?+~;0 -:/9/808171718/9/:-~;0 +@%}R* '?+~;0 -:/8081716263536171709.~;0 +}-* '?+~;0 -:/81716353535353535361719-=)}e) )=-:/9/81635353453535353543618/:,}C) '?+~;0 -:/817163534535353535353543618.?%}#) )>+~;0 -:/81626344453,$+2,$,2626353543618/~;0 )}{( )>+;.:/816263453535271717253543537/~;0 )}{( )>+~;0 -:/817163444535262716353543528/='}#) '?+~;0 -:/808163534535353535353543618/}B) $B)=-;-:/8171635345353535354353619-}d) '?+~;0 -;-:/817163535353535353618.}N* '?+=+~;0 -:/9/817162635271718.=)}s* %A)>+=+~;0 -:.:/9/9/9/9/:-}f, '@)>*>+=+=+=*@'}n4$ -}w1 %)$%~%0 )%}r$ %%$*$