H2O geometry optimisation and frequency analysis mo=3 MO coefficients +3 -4.970736 -4.970736 -4.738762 BOHR frame 1.12; isosurface ID "isosurface1" select ({33:35}) sign [xff0000] [x0000ff] /*file*/"H:/wiki-demo/water/water-mo3.cub"; isosurface ID "isosurface1" fill noMesh noDots notFrontOnly frontlit; -}^{ ~%0 >)~;0 )='}%% (~;0 )~;0 (>~%0 }l( '=*:,9-8-9,:*}>$ *:,8-8-8,:*=%}j' '~;0 +9.7.7/6/6/7-;([*9-7/6/6/6.7-9+~;0 '}+' ~%0 =+9-70505141415/8,X,7/514141405/7-9+}'' *:-7/6042323241506.V.5141323232405/7-:(}G~%0 ~%0 =+8.704232332323316.=$:/513323232231506-9*}E~%0 (;,8/514232332323315/~;0 ~%0 90422323232232405/8+~;0 ~%0 }(~%0 (;,8/514232332323324/;'90422323232232315/7,~;0 ~%0 })~%0 ~%0 ~;0 ,8/514232332323315/~;0 ~%0 90422323232232405/8+~;0 %}+~%0 $>+9-704232332323316.U/5133232232315/7-9*}d~%0 ):-7/6042323241506-W.5141323232405/7,;(}g~%0 %=+9-7/605141505/9*Y,7/514140505/7-9*}I' '~;0 +9-8.7/6/6/8,~;0 ~%0 ](:-7/6/6/6.8,9+=%}k' %>*:,9,9-9+~;0 (}?$ *:+9-8,:+:)}2) $@'>'?%}'% ~%0 >'>'}~%0 | -}H1 %$%}h% '$%}K% ~%0 $%}A% ~%0 $%}X% )$%