H2O geometry optimisation and frequency analysis mo=2 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-mo2.cub"; isosurface ID "isosurface1" fill noMesh noDots notFrontOnly frontlit; -}D| $?(~;0 *;*;*;*;*~;0 (}q* (~;0 *:,9,8.7.7.8,9,:*~;0 '}n) );+9-8.6/6/605/7.7.7-9+;(}/) );,9-7/605050505050505/7-8,;(}L( '~;0 +9.7/60414142323231415/6/7-8+~;0 ~%0 }.( );,8.605141423232323231415/6.8,:)}i' $>+9-8/51414232323232323231406.7-:)}h' ~%0 =+9.7/51414232323232323231406/6-9*}i' $>+9-8/50514232323232323231406.7-:)},( );,8.7/5141423232323231415/6.8,:)}-( '~;0 +:-7/60414142323231415/6/7-9*=%}N( (~;0 +9-7/6/60505050505/6/7-9+;'}1) (~;0 +9-8.7.6/6/7.7.7.7-9+~;0 '}o) '=*:,9,9,8-9,9,9+;)>~%0 }r* '>(~;0 *;*;*~;0 (>~%0 }d|