H2O geometry optimisation and frequency analysis mo=5 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-mo5.cub"; isosurface ID "isosurface1" fill noMesh noDots notFrontOnly frontlit; -}Dg $?(=(~;0 )=(='}V+ (~;0 *:,9,9,9,9,:*~;0 (}Q* *:,8-8.7.7.7.7.7-9,;(}n) (;,8.7.60505050506.7.8,;(}1) ~%0 =*9-8.605041414150506.8,:*}/) (;,8.60504142323231505/7.8+=~%0 }l( (;,8.60504142323231505/7.8+=~%0 }0) *:,8.605050505050506.8,:*}l) );,8-8.7.7.7.7.8,9+~;0 (}7+ ~%0 >(=(='?%}t* ~%0 =*:,8.7.6/6/6/7.7.8,:*}O) %>*9-8.605041415050506.8,:*}/) (;,8.60504142323231505/7.8+=~%0 }l( (;,8.60504142323231505/7.8+=~%0 }n( $>*9-8.605050415050506.8,:*}N) (;,8.7.60505050506.7-9+~;0 (}n) (;,9,8.7.7.7.7.8,9+~;0 (}R* (~;0 *:+:,9,9,9+;*=~%0 }W+ ~%0 >(=(=(>~%0 }bg -}|1 '$%4'$%0(/'0'$%2)$%