H2O geometry optimisation and frequency analysis mo=4 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-mo4.cub"; isosurface ID "isosurface1" fill noMesh noDots notFrontOnly frontlit; -}$#$ $)~%0 8%''8%'(7%''8$)~%0 }0+ '>''~%0 6(~%0 (5(~%0 )4(%*4(%*4(%*4(~%0 )4(~%0 (6''~%0 8%}R) ~%0 >'=)~%1 5*%)3)%*3)%+2)%+2)%+2)%+2)%+2)%*4)%(5)~%1 7'?~%0 }M( '=);*'$6*%(4*$*2+$+1+$+1+$,0+$,0+$,0+$+1+$+2*$*3*%(5)~;0 )>~%0 }j' ~%0 =);+:+%'3+%)2+$+1+$,0+$,0+$,0+$,0+$,0+$,0+$+1+$+1+%)3+%'5*~;0 (>~%0 }J' (~;0 *:+9,$)2,$*1+$+1+$,/,$,/6/6/6/,$,0+$,0+$+1,$)2,%'4+;*~;0 (},' $?(;+:+~%0 %4,$)2,$*06/6/6/7.7.7.6/6041,$*1,$)3+;*~;0 (},' %=);+:+~%0 %4,$)2,$*06/6/6/7.7.7.6/6/60,$*1,$)3+:+~;0 (}I' (;+:+~%0 %4,$)2,$*15/6/6/7.7.7.6/6041,$*1,%(3+;*~;0 (}I' (~;0 *:+9,$(3,$*1+$+1+$,/,$,/6/6/6/,$,0+$,0+$+1,$)3+%'4+;*~;0 (}J' ~%0 =)~;0 );*~%0 '3+%)2+$+1+$+1+$,0+$,0+$,0+$,0+$,0+$+1+$+2*%)3*~%1 6)=(?$}k' ~%0 =)~;0 );*%(4*$*2+$+1+$+1+$,0+$,0+$,0+$+2*$+2*%)3*%(5)=(>~%0 }N( ~%0 >'=('~%0 6(~%0 (4)%*3)%+2)%+2)%+2)%+2)%+2)%*4(~%0 (5(($8'?%}R) %?'($8'~%0 (5(~%0 (5(%*4(%*4(%*4(~%0 (6'~%0 (6'?%}A+ $@~%0 8$)~%0 ?~%0 @$}~%0 #$ -}V0 %,%+%,%}|$ ~%0 *%+%-$6$(%-%/~%0 }T$ %U%}S$ %W%}S$ ~%0 ,%+%-$6$(%-%1~%0 }'% %,%+%,%