H2O geometry optimisation and frequency analysis mo=1 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-mo1.cub"; isosurface ID "isosurface1" fill noMesh noDots notFrontOnly frontlit; -}KX$ %?'>(='@$};, '>(=(=(>~%0 }w+ $?(=(~;0 )=(='}:, '>(=(=(>~%0 }~;0 , $@~%0 >'?~%0 }jX$