Optimisation and freq of MM2 opt 12A structure constrained to Cs point g mo=45 MO coefficients +25 -9.172015 -11.044432 -9.383611 BOHR isosurface ID "isosurface1" select ({}) sign [xff0000] [x0000ff] /*file*/"file:/Volumes/USB2/Compuational/chlorocarbene/cube files/12_45_HOMO-3.cub"; isosurface ID "isosurface1" fill noMesh noDots notFrontOnly frontlit; -}sT) ~%0 (~%0 P0O0O0P.}~%0 L ~%0 *~%0 N2M3L3L2M2N0Q~%2 }hJ (((L4K4K4K4K4L2N0}eJ ))(K+%+I6I6J5J4K4L2O~%0 (~%0 }-J (*(K*'*I6I6I6J5J4L3M(''H%;$A%:~%0 @%:~%0 }~;0 F (V*V)Q~%1 '~%1 K(*)I+~%0 +I6I6I6J4K4L(((($@'9~%0 ?'8'?'8'@%:%M'V*T,S,T*V(}AA *T,S,S,S,O'$*$'K(*)I+~%0 +I6I6J5J4E~%0 '((('~%0 ?'8'?'8(>'8'@~%0 +(,%J,R.Q.Q.Q.R,U(}f$ %7%D%7%}$~%0 ~%0 W*U*U*}M8 (U,R.Q.Q.Q.R,O'$/K)))J*~%0 +J+$,J+$+F%~%0 *~%0 *~%1 ?'%(*(%'?'~%0 %.%~%0 (>'8(>'+(+'@%*,*%I.Q/O0O0P/P.S+V~%0 O$8%C~%0 6~%0 C~%0 6'C$8%}c$ -Q.P0O0O0P.R,}37 *S.Q/O0O0P/P.R,%$L'~%0 '%'K))(K)()F~%0 %*')~%1 ?($)()%'?($(*($)>(%~%0 -~%0 $)>',~%0 ,'@~%0 **+~%0 I-Q.P0O0O0P/P.R,U(M%8%B'6'A'6'B%8%})$ .P0N2M2M2M2M2N0Q-}S6 *S.Q/O0O0O0P.R,U)Q~%0 ,~%0 G~%1 '*(~%1 ?($(*(%'?($(*($)>.+'$)>($'-~%0 $)>'~%0 $'('$~%0 'I,R.Q/O0O0O0P/P.R,T*L%8~%0 A'7~%0 A'7~%0 A~%0 8~%0 H0O1M2M3K4K4K4K4L2N0Q,}v5 )T-Q/O0O0O0P.R-S*J'-$.~%0 ?(%~%0 -%~%0 (=)%~%0 ,~%0 %)=*$'+'$)=*$~%0 ,.>($'~%1 '~%0 $(@~%0 %~%0 %*%~%0 %~%0 G$%,~%0 $N.Q.Q/P/P/P.Q.R,T*K~%0 8~%0 @(6(?(~%0 %-$~%0 (@'~%0 '((~%0 'F2M2L4K4K5J5J5J4K4L2O/}Q6 ,R.P0O0O0P.R,J~%0 **+%@(,%,(=)6)=)~%0 $.%%)=*$~%0 ,~%0 %)=*$~%0 ,'$)>($'~%0 '~%1 %'E~%0 %*%~%0 K~%0 $,%~%0 I~%0 %-$~%0 I~%0 $.$'G'$.$'G'$.$'G'$.%~%0 H~%0 $.%~%0 H~%0 %-$~%0 J%%,%~%0 J~%1 )~%0 %E'%~%0 ($(~%0 %'?(%~%0 ,~%0 %)>)$'*'%)>(%(((%(@~%1 2~%1 G3K4K4K5I6I6I6J4L3M1}R6 )T,R.Q/P/P.R,I'+)*'>)6)=)6*~;0 )6*~;0 )~%0 $.%%)=)%~%0 -~%0 %(>~%1 '~%0 '~%3 E~%0 %*%'I'%+$(G($,$(G($3E:E:F9F($2G($,$(H'%*%'J'%(~%0 'D($''$''%(=*$~%0 ,.=*$'*'$*=*$(((%)>(%*$*~%0 'F3K4K5I6I6I6I6J5J4L2}07 *T,R.Q.R-J$++I(*(+(=)6)=)6*~;0 )6*~;0 )7)~;0 (~%0 %.%~%0 (D'~%1 '~%0 J(%(%(H)$*$)G)$2E:E:E:E3$)E3$)F)$+$(G)$*%(C%~%0 (%(%(~%0 %>)$','%);+$'+/;+$'+~%0 $+~;0 *$'*'$+~;0 )%(((%)?%')~%0 )'%F4K4K5I6I6I6J5J4L2}j7 )U+S,T+K$+*J(+~%0 ,(=)6)=)6*~;0 )6*~;0 (8(>~%0 ($/$'~%0 E','J)%~%1 (H*$(%)F+$)$*E2$*E2$+D2$+D2$*E*$*$*F)$*$*F)%(%)B~%1 (~%2 (~%1 ~;0 )%',($);*$','$*;+$~%0 ,~%0 $+;+%%,~%0 %*~;0 )~%0 %-$~%0 )>''%,%(~%0 F'*'M(()K*')K*~%0 *K+%*K+$,J+%*K*~%0 *L'*'}I8 (V*U*V(K',~%0 ,'>)7(=)7(=(8(=(9'}#$ (+'J)**G+)*F,%%%+E,$'$,D1$,D+$($,D+$($+E+$($+F*$($+F*%~%1 )B~%1 )~%0 $'(~%0 ';)%','~%0 (;*%~%0 -~%0 $+:*~%0 $2+:+5*~;0 )*(**='***'I,S,S,P~%0 $*%%M~%0 ,~%0 M~%0 ,~%0 M~%0 ,'L~%0 ,'L%/$}J8 ~%0 X(W)V)V(K'-$-'?'8(>'9~%0 @$~;0 $}%$ (*(J*(*H,~%0 ,F-~%0 -E-~%0 -E-'-D,(-D,(,E,(,F+)*H)**B~%1 )+(~%0 ';)%'-~%1 )9*8*9+,%++:**))+:*(,(*='(/''G0O0O0P.R,U)}E: ~%0 X)U*U*U*V(X~%0 }J% '*(J6H8F:E:E:E:E.%-F,',F+(+H)*)C~%0 '',''';(:(;)8*:**(+*:*(,(*~;0 )~%0 0~%0 *='~%0 2~%0 'F2M2M2N1N0Q-T)}e9 (V*T,S,S,T+T*W~%0 }l$ ~%0 *'L5H8G9E:E:E:F9F-%,H*(+I(+(D$*$/$)$=(:(;)9(;)***);*'.()~;0 (~%0 2~%0 (D4K4K4K4L2N1O/Q,}c9 *T,S-Q.Q.R-R,T*X$}k$ 4J6H8G8G9F8G8H+~%0 ,I(*)K%.%}%$ $>$>'.%.~%0 ='+*+'>~%0 )/('E2L4K4K4K4L3L2N0P.U'}O8 'V*T,R.Q.Q.Q.Q.R,U)}k$ (%'N4J6I6I7H7H+~%0 +J(*(}(~%0 'V+R/N2L4K4K4K4L3L2N0Q-V%}O8 (V+S-Q.Q/P/P/P.R-S+U(}l$ %*%O(((L)%%$)K)$~%0 $)K(~%0 $~%0 (M$.%}3$ %Y~%0 Y~%0 Y'W(V+R.P0N2M3L3L3L2N0P/Q,}+9 (V+S-Q.Q/P/P/P.Q.R,T*W~%0 }q$ ~%0 Y'W(W(W(W(W(W)V)V)U*U+S-Q/O0O1M2N1N0P/Q,V~%0 }/9 'V*T,R.Q.Q.Q.Q.R-R,T*W'Y%Y~%0 Y'W(W(W)U*U*U*U*U*U*U*U+S,S-Q.Q.Q/P.R-S+W$}G: (V+S,S-R-R'$(R'$'S,T*V(Y$}9$ ~%0 X(W(V*U*U+S,S,S,S,T+T*U*U*U*U*U+T*U*W~%0 }>~;0 'W(V*U%~%0 %W~%0 Z%}G' 'W(V*U+S,S,S,S,S,T+T*U*V(X~%0 }$B %Z%$$U%~%0 %V(Y%}/~%0 'W)U*U+S,S,S,S,T+T*V(}BA (V+S,S'$(Q($(R-R,S,U(}-~%0 (V*U*U+S,S,T+T*V(Y$}e@ (V+S-Q.Q.Q/P.Q.R-S+V~%0 }/~%0 'W)U*U*U*U*V(Y$}g@ %W*T,R.Q.Q/O0P/P.Q.R,U(}h~%0 $Z'W(W(X~%0 }#B ~%0 W*T,R.Q/P/O0P/P.Q.R,U(}AH $X*T,R.Q.Q.Q/P.Q.R,T*W~%0 }yH (V*T,S-Q.Q.Q.R,T+U(}6J (V*U+S,S,S,T*V(}OK ~%0 X(W)V)V(X~%0 }83+ -}w= %3~%0 %%5%'%}M+ %~%0 %0%%~%0 =%}0) ~%0 >%}x* %4~%0 /%-~%0 }0- %E~%0 }v' ~%0 A~%0 }]$ ~%0 :%~%1 1'/'/%$~%0 7~%0 }p) %=%}X$ %)~%0 -%%%)%-%+%$~%0 3~%0 }m* ~%0 ?%}_$ %1%*~%0 -%+%)%~%0 %%$,%}=( ($%*($%4'$%'~%0 %%4'*(3~%0 $%,(:'$%/~%0 %~%0 }q~%0 ~%0 4%/%2$9'}1( ~%0 $%6(}t' %%%.~%0 $%)',(}XD )A'$%3~%0 $%2'$%}(6 (9'%~%0 $%2%')'%}b% ))')*}c% %'~%0 =':(