Optimisation and freq of MM2 opt 12A structure constrained to Cs point g mo=49 MO coefficients +25 -9.172015 -11.044432 -9.383611 BOHR isosurface ID "isosurface1" select ({0:24}) sign [xff0000] [x0000ff] /*file*/"file:/Volumes/USB2/Compuational/chlorocarbene/cube files/12_49_LUMO.cub"; isosurface ID "isosurface1" fill noMesh noDots notFrontOnly frontlit; color $isosurface1 "roygb" range -1.0 1.0; -}rT) ~%0 *~%0 N(((M(((M(((N~%0 *~%0 }^+ ~%0 7%B(5'A(4(A(4(A(5'B~%0 7%}v? ')~%0 N(((L*')K*~%0 *K*')L(((N')'}N( $:%A~%0 8~%0 A'6(?)4)?*2*?*2+>*2+=+2+>*2+>*3)@(5(}:? (((L*~%0 *K*~%0 *K*~%0 +J*~%0 +J*~%0 *L(()M')~%0 }?% $~;0 %?~%0 :~%0 ?'8(>'8(>(6)>)4*=+3*=+2+=,0,=,0-~;0 ,0-~;0 ,0-~;0 ,1,~;0 +2+=*4*>(6(}[> )'(L*~%0 *K*~%0 +I,%+I+~%0 +J*~%0 +J*~%0 *L(((}_$ $~;0 %>':'=(8(=)7(=)6)=*5)=+3*=+2,;-0-;-0-;./-;./-;-0-;-0-;-1,~;0 +3+=)5)?%:%}$> '((L*~%0 *J,%+I,%+I,%+I+~%0 +J*~%0 +J)()N$,%}~%0 $ ~%0 :~%0 >(8(=(8)~;0 )7)~;0 )6*~;0 *4+~;0 +2,;-1,;-0-;./-;./.:./.:./.:-0.:-1,;,3+~;0 *5)?~%0 9~%0 }[> )~%0 )L+%*J,%+I,%+I+~%0 +I+~%0 +J)(*L%,~%0 }%$ ~%0 :~%0 >(8(=(8(=)7(=)6*~;0 *4+~;0 +2,;-1,;-0-;./.:./.9//.9.0.:-0.:,2,;,3+~;0 )6)?%:~%0 H%*%P'('N(((M(((M(((M'*'N%,%}g7 ~%0 *~%0 P~%0 )~%0 P~%0 (~%0 }g$ )'(L*~%0 *J+~%0 +I+~%0 ,H*(+H)*)K$0%}%$ %;$@~%0 :~%0 ?'9'=(8(=(8(=)6)=*4*=+2,;-0-;-0-;./.:-0.:-0.:-1-:,2,;+4+~;0 )($*$)(F'('N)'(L*~%0 *K*~%0 +I+~%0 +I+'*J)(*J)()L'*'}N6 ~%0 *'M(((M)~%0 )M)~%0 )N(~%0 )O'~%0 (Q%(%}/$ (((K*))H***G(/'H%2%}n~%0 $A%:~%0 ?(6)=*4*=+2,;-0-;-0-;-0-;-0-;,2,;,3+~;0 *'%)%')>''(''(~%0 F)~%0 *K*~%0 *J+~%0 +I,%,G,~%0 ,G,~%0 ,G,~%0 ,H+'*J)(*K'*(}m5 (((M)')K*~%0 *K+%*L*%*L*%)N(~%0 (Q%(~%0 }d$ %4%G~%0 3~%0 F~%0 3%}J( '6(?)4*=+2+=,1+=,1,~;0 +2,~;0 +3+~;0 *'$*%~%0 *>(~%0 ('(~%0 'F)~%0 *K+%+I,%+H-$-G-$.F-%-F-%-F,~%0 -F,~%0 ,H+'+I)(*K'+~%0 }55 (((L*')K*~%0 *K+%*K+%*K+%*L*%)N(~%0 (Q%)%}d$ %5%F%5%})) ~%0 7%B(4)?*2*?*2+>*3*>)4)@'~%0 '((~%0 'F)~%0 *K+%+I,$-G-$-F.$.E.$.E.$.E.$.E.%-F-%-F,~%0 ,H+'*J))(}55 ')'M)')K*~%0 *K*~%0 *K+%*K+%*L)~%0 *L)~%0 )N'((O%+%}e$ %1$}D* '5~%0 C'4(B~%0 6'C$'~%0 *~%0 ($H)')J+~%0 +I,$-G-$.E.$.E.$/D.$/C/$/D.$/D.$.E.%-F,~%0 -G+~%0 ,I)(*L%,%}X4 ~%0 *~%0 N(((L*')K*~%0 *K*~%0 *K*~%0 *K*~%0 *L)~%0 *L(((M()'M'+'K','K'-~%0 L$0$}b+ '*'K+'*H,~%0 ,G-$.E.$.E.$/C/$/C/$/C/$/C/$/D.$/D.$.F,~%0 -F,~%0 ,I)(*L%,~%0 }65 ~%0 *~%0 N(((M)')K*~%0 *K*~%0 *L)~%0 *L)')L(()L()(L'*(K','L~%0 -~%0 }[~%0 $0$L~%0 .~%0 K','L~%0 ,'}7' +(+F-~%0 -E.$.E.$/D.$/C/$/C/$/C/$/D.$/D.$.E.$.F,~%0 -G+~%0 ,I)(*L%,%}p5 ~%0 *~%0 N(((M(((M(((M(((M(((M()'M'*'M'+~%0 M~%0 ,~%0 }9' '$%)$$'I),'I)+(I)*)I(,(}w$ $A%~%0 $6~%0 @~%0 9%B~%0 6~%0 D+*,D-~%0 -E.$.E.$.E.$.E.$.E.$.E.$.E.$.F-%-F,~%0 ,H+'*J))(}f7 %+%O~%0 *~%0 O~%0 *~%0 O~%0 +%O%,%O%-$}t' %0~%0 I',$$(G),)G***G***G),*C(4(?)7(=(8);)8)~;0 (9(~;0 ':'}_$ %*%N+%+I,$-G-$-G-$-G-$-G-%,G,~%0 ,H+~%0 +I*(*K'+'}w? '/~%0 H)-(G),)G***G***E*.*@)6)~;0 *7);)8*:)~%0 ()(%*:(~%0 *')~%0 ):(~%0 *~%0 *''=$(+%*($E+%*K+$+L*$*N(~%0 (}.$ '('N)'(L*')K)()K(*(L~%0 ,~%0 }X@ %0%J(-(H(,)H)+)H(,(E%:~%0 >(8);)8*9*~%0 '*'~%0 *9*%*')~%0 )9)~%0 *~%0 +%):'~%0 ,%+~%0 'B,$,I,$-H,$-H,$-H,$,I,$,J+%*M(''}hC %0%K~%0 .'J~%0 /%}!$ ':(;(:)9)'(((')9)~%0 *~%0 *~%0 ):(%,%+~%0 (:'~%0 ,$-~%1 A-$-G-$-G-$-G-$.F-$-G-$-G-$-H,%+J*~%0 *L'*'}WE ~%0 =%~;0 (;';('(()'(:''*~%0 +~%0 (:'~%0 ,%+~%0 'A-$-G-$-G-$.E.$.E.$.E.$.E.$.F-$.F-$-H,%,H+'*K'*(}WE $+%+%F%()()(%=%'+~%0 +'%C,%+H-$-G-$-F.$.E.$.E.$.E.$.E.$.E.$.F-$.F-%,H+~%0 +J)()}_E ~%0 +%M)()J+~%0 +I+~%0 ,G-%,G-$.E.$.E.$.E.$.E.$/D.$.E.$.E.$.F,~%0 ,H+~%0 +J)()}`E $,$O(()K*'*I+~%0 +H-%,G-%-E.$.E.$.E.$.E.$.E.$.E.$.F-%-F,~%0 ,H+'*J))(}=F ()'L)()J+~%0 +H,~%0 ,G,~%0 ,G-%-E.%-E.%-E.%-E.%-E.%-F,~%0 ,H+~%0 ,H*(*K'*'}@F $,%N()(K)(*I+'*H,~%0 ,G,~%0 ,G,~%0 -F,~%0 -F,~%0 -F,~%0 -F,~%0 ,G,~%0 ,H*(*J))(}WG $,%N'*'L)()J*(*I+'+G,~%0 ,G,~%0 ,G,~%0 ,G,~%0 ,H+'*I*(*J(*(}MI ~%0 +~%0 M'*(K)()K)(*I*(*I*(*J)(*J))(L'*'}$L %,%O%,~%0 N%,~%0 N%-$}~;0 y. -}4R ($%''$%5)$%(+}EO ~%0 :~%0 }P, '7~%0 }Y( -$%(-$%2'$%%($%-,$%%1.'$%0'$%}h) 9$%+~%0 $~%1 ($%.+$%,+$%