Optimisation and freq of MM2 opt 12A structure constrained to Cs point g mo=50 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_50_LUMOplus1.cub"; isosurface ID "isosurface1" fill noMesh noDots notFrontOnly frontlit; color $isosurface1 "roygb" range -1.0 1.0; -}tV' '+~%0 M'*(K))(L()(L'*'N~%0 *'}fJ %,%M))(K)(*I*(*I+'*I+'*I+'*J)()L(()M~%0 *'}oH %,%M))(J*(*I+~%0 ,G,~%0 ,G,~%0 ,G,~%0 ,G,~%0 ,H+~%0 +J*'*J)()M')'}4H (*(J*(*H,~%0 ,G,~%0 ,G-%-F-%-F-%-F-%,G,~%0 ,H+~%0 +J*~%0 +K(()M')~%0 }yF %,~%0 L)(*I+~%0 ,G,~%0 ,G-%-E.$.E.$.E.$.F-$.F-%,H,%,H+~%0 +J*~%0 *L(((O%+$}@F ~%0 ,~%0 K*(*I+~%0 ,G-%,F.$.E.$.E.$.E.$.E.$.F-$.F-$-H,%+J*~%0 *D~%0 ()'()%='(')~%0 ((~;0 ':(~;0 (9'>~%0 :'}wD )(*I+~%0 ,G-%,F.$.E.$.E.$.E.$.E.$.F-$.F-$-H,$,C~%0 '+%*(%~;0 (')~%0 )'(;)''(''*:)8*:*7);)8)~;0 (9'}?D '+~%0 K+~%0 +H-%,G-$.E.$.E.$.E.$.E.$.F-$-G-$-H,$,B(~%0 +%*~%0 (:*~%0 )~%0 )~%0 *9+~%0 '(''*9+6+9+6+:*6+;(8)=~%0 :~%0 }BD %+%M*~%0 +I,$-G-$-G-$.E.$.F-$.F-$-H,$-B~%1 ,$,~%1 ~;0 )%+%*~%0 (:+%)~%0 )~%0 *9+~%0 (''~%0 +9+6+9,5+9+6+:*6*='9'}iA ~%0 ,~%0 L(*(K))(L()'}e$ *%*J,$,H-$-G-$-G-$-G-$-H,$-B'%,$,~%1 ~;0 )%+%*%):+%)~%0 )%+9+~%0 '('~%0 +9,5+9,5+9,5+:*6*~;0 (8(}/' %6%E%6%}.~;0 ~%0 ,~%0 L)()J+'*I+~%0 +I+~%0 +I,%+J+%*M(~%0 )O~%0 (~%0 N+$+J,$,I,$-H,$,I,$,D~%1 +%+~%1 ~;0 )%*~%0 *%);*%)~%0 )%+9,%'('~%0 +9,4,9,4,:+5+:*6*='9'}P~%0 %6%D'4'C'4'C'5~%0 }M; ))(J+'*H,~%0 ,G-%,G-$-G-$-G-$-H,$-H,$,K)~%0 )O~%0 (~%0 O*%*K+%*K+%*F%~%0 *~%0 *'$?(~%0 )~%0 *%(~;0 *%(((%*;+%~%0 *~%1 +:+4,:+4,:+5*~;0 )6*>%:~%0 }Q~%0 ~%0 4'C(3'C'4(B'4'}Y~%0 %+$Q$,$}P6 %,%M)(*I+~%0 ,G,~%0 ,G-$.E.$.E.$.E.$.F-$.F-$-H,$-I+$,M%*%}/$ '('N(((F'~%0 (((~%0 '>)~%1 *~%1 )=*5*;+4+;+5*~;0 )6)>'8'}0' ~%0 4~%0 D(3'C'4'C'5~%0 }@% '('N(((M(((M(((M()'N~%0 +%}65 '+~%0 K*(*H,~%0 ,G-%-E.$.E.$.E.$.E.$.E.$.F-$.F-$-H,$-H,%+K(((}>% '7~%0 @(6(?(6(?(6(@~%0 8'}i' ~%0 4~%0 E'3'D~%0 4'D%6%}b$ '('N)'(L*~%0 *K*~%0 *K*~%0 *K*')L(((N~%0 +%}W4 '+~%0 K*(*H,~%0 ,G,~%0 -E.$.E.$.E.$.E.$.E.$.F-$.F-$-G-$-H,$,J*~%0 +K()'}>, %4%G~%0 3~%0 F%4~%0 }c$ ~%0 ('N)~%0 )L*~%0 *K*~%0 *K*~%0 +J*~%0 +J*~%0 +J*')L()'}W4 %,%M)(*I+~%0 ,G,~%0 ,F.%-E.$.E.$.E.$.E.$.F-$.F-$-H,$-B~%1 ,$,~%1 ='~%0 *~%0 *~%0 (~;0 (~%0 )')~%0 '>'($3'}7, $4%}B% '('N)~%0 *K+%*K+%+I,%+I,%+J*~%0 +J*~%0 *L(((O$,$}W4 ))(J+'*H,~%0 ,G-%,G-%-F-$.F-$.F-$-G-$-H,$-A'~%0 ,$,~%0 ';(~%0 +%+%)9*%*~%0 *%*9+%)'(~%0 *:*~%1 *~%1 *~;0 )6)?'7'}S- '((M)~%0 *K+%*K+%+I,%+I,%+J*~%0 +J*~%0 *L(((O$,$}X4 '*'L)(*I+~%0 +H,~%0 ,G-%,G-%,G-$-G-$-H,$-A'~%0 ,$,'~%0 :)~%0 +%+%)9*%+%*%*9+%)~%0 *%+8+~%0 '((%,8+'$,$'+:+5+;*5)@%8~%0 }v, %*%O)~%0 )L+%*K+%*K+%+J+%+J*~%0 *K*')L(((}n5 '*(K)(*I+~%0 +I+~%0 ,H+~%0 ,H,%,H,%+I,%+B''+%+~%0 (9*%*~%0 *~%0 )8+~%0 )~%0 )~%0 +7,~%0 ('(%,7,'~%0 )~%1 ,8,5,8,5+:+5*=(6(}2. '('N)~%0 )M)~%0 )M)~%0 )M)'(N'((},7 '*'L)()K*'*I+~%0 +J*~%0 +J*~%0 +J*~%0 *)$~;0 (')~%0 *'(9*~%0 )~%0 )'*7,~%0 ('(~%0 +7,'~%0 )~%1 ,7,6,8,5,8,5+:*6*~;0 )7(}u, $*$R~%0 (~%0 Q''~%0 R%(%}?: ~%0 *~%0 N()'M(()L(()L)')L)'(D(('((((9*''(''*9+'%*%(+7,6,7,6,8,5,8+6+:*6*='8(};* %=$}_$ '('N)~%0 )M)~%0 )M*%)M*%)N(~%0 )O~%0 (~%0 }?: $,$P~%0 *~%0 O~%0 *~%0 P%*%F(;':*9)9*8*9+6,8+6,8+6+:*6+:*7)=~%0 :~%0 }!+ ')~%0 N)~%0 )L*~%0 *K+%*K+%*K+%*K+%*L)~%0 )N'('},~;0 %=%~;0 (:(;)8*9*8*9+7*:*7*:)8)~;0 (9'}:, '('N)~%0 *K*~%0 *K+%+J+%+J+%+J+%+J*~%0 *L)')M~%0 *'}+~;0 %=$>':'=(9(~;0 (8)~;0 (9'>~%0 :'}s, ')~%0 N)'(L*~%0 *K*~%0 +I,%+I,%+J*~%0 +J*~%0 *L)')L()'}OI %+$O(((L*')K*~%0 *K*~%0 +J*~%0 +J*~%0 *K*~%0 *L(((N~%0 *~%0 }.J ~%0 *~%0 N(((L*')K*')K*')K*')L(()M~%0 *'}EK ~%0 +%N'*'M()'M(((M()'N~%0 *~%0 }{u0 -}pK *$%''$%-3'1}x) )$%()$%--+-4%-%})+ '$%.'$%5~%0 $'1($%6%-%}MQ '$%('$%.)~%1 $$$%($$,$.