Title Card Required mo=47 MO coefficients +23 -10.855011 -9.201402 -8.671913 1 BOHR isosurface ID "isosurface1" select ({0:22}) sign color [xff0000] [x0000ff] cutoff 0.02 /*file*/"file:/C:/temp/regioselec_exo_TS_QST2_mo47.cub"; isosurface ID "isosurface1" fill noMesh noDots notFrontOnly frontlit; color isosurface translucent 0.5; -}ib' %W~%0 X$}+) ~%0 X%Y$}l: ~%0 V(T*S*S*S)T(}7' (U)T*S*S*T(V~%0 }y8 (T*S+Q,Q,Q,Q,Q+S(}#~%0 (T+R+R,Q,Q,R+R*T)V%}T6 $V)S+R,P-P-P-O.O-Q,Q+S'}j$ 'U*S,P-P.P-P-P-P-Q+S)V~%0 }s5 *R,Q,P-P.J%~%0 .J%%/J%%.O.O-Q+R*}h$ (T+Q-P.K%%.K%%/J%~%0 .O.O.P,Q,R*U~%0 }`4 )S+Q,P.O.O.I~%1 .I'$/I'$/I'$.K~%0 %-L$~%0 ,Q*}h$ )S,L~%0 %-J'$.J'$/I'$/I~%1 .O.O.O.P-P,S)}(4 'T+Q-P-O.O.O/H'%.H(%.H(%.H)$.I($-K'$,M~%0 %*}c$ $~%0 )N'$,K($-I)$.H)$.H(%.I'%.J%~%0 .O/N.P-P-Q+S)}J3 )S+Q-P.O.N/I%~%0 /H'%/'~%0 @)$.''@)$.''@*$-(~%0 @*$,J)$+L($*}b$ '%(M)$+J*$,I*$-(%A5''@)$.''@(%/'~%0 A~%1 /N/O.O.O-Q,R*U~%0 }82 'U*R,P-P.O.O.($B'~%0 .~%0 (?)%.~%0 (?*$-~%0 )?*$-~%0 )?5~%0 )?4('A*$*L)$(}b$ )$(M*$*J+$+('@4')?*$-~%0 )?*$-~%0 *>)%.~%0 (@'~%0 .~%0 (G.'~%0 H.O.O.P,R*T(}72 (T*R,Q-O.O.J$'.~%0 (@(%.~%0 (?*%-%*>*%,~%0 *>+$,%+>+$+~%0 +>4')@+$)((B)~%0 %R%}2$ )S+$(*~%0 A4')?+$+~%0 +>+$,%+>+$,~%0 *>*%,~%0 *?(%.%*@~%1 .~%0 (G.O.P-P,R+S(}72 (T+Q,Q-P-P-($C'~%0 -~%0 (@)%-%*>+$,%+>+%+%,=,$+%+>,$*~%0 +>,%('+?+~%1 ()B*V%}2$ *R+~%0 %))@,%('*?,$*~%0 +>,$+%+>+%+%,=+$,%+?)%-%*@'~%0 -~%0 (H-'~%0 I-P-P,R+S)V$}!1 (T+R+R,Q,J'~%0 ,'~%0 B)%,~%0 (@+$,%*>,$+%+>-$*%,=-$)%-=-%(%,>-~%2 ,?,,+A*.'}Y$ )R,,*@-~%0 %',>-%(%,>-$)%-=-$*%,=,$+%,>+$+~%0 *?*%,%*A'~%0 ,'~%0 J,Q,Q+R+S)V$}!1 (T*S+R,L%~%0 ,J)%+($C+$+~%0 (@,$*~%0 *>5%+>.$)$-=/$'%-=/%%%->/)-?.),A+,(}Y$ *-'C-*+@/)->/%%%->/$'%-=.$(%-=5%+?,$*~%0 *?,$+%)A*%+'~%0 D~%1 ,Q,Q+R+S(}72 'V)T*S*L(%*J+%*I,$)'(@4~%0 *?4%+>4%,>0%$~%0 ,>0(-?/(,@/(+C,*(}Y$ ++(D.(+A/(,?0(->0(->0$~%0 %,>/$(%+?4~%0 *?-$)'(A,$*J)~%0 )S*S*S)T(}n2 'V)N~%0 ')K*~%0 (J-$(J.$')$B/$''(@0$%')@0)+?0(,?1~%0 ,@0',A/'+C-)(}Z$ ++~%0 E/()B0',@1~%0 ,@0(,?0(,?0$%~%0 *@/$'~%0 )A.$'(~%0 B-$(K+%(M''(S)T(}Y4 (T+Q-O/N/M1*'A1))@1(*@1()A1()B/)(D-}e$ ,O/)'C1()A1()A1(*@1))@1*'B/N/N.P,S(}s5 )S,P.N/N0M0M0~%0 %H0%~%0 H0%~%0 H0~%0 %H/P,}e$ ,P.N0~%0 %H0%~%0 G1%~%0 H0%~%0 H0~%0 $I0M0N.P,R)}r5 *R,P.O/N/'$H0~%1 G0%'G0%(F0%'G0%'H.'%J,}e$ ,P.N0%'G0%'G0%'G0%(F0~%1 H/~%0 %I/N.P,R*U%}>5 )S+Q-P.($H/~%0 'G/~%0 (F/%)F/%)F/%)F/%(G.'~%0 I,}e$ +Q.'%I/%(G/%(G/%)F/%)F/~%0 (F/~%0 (G.'%I-P-Q*V$}?5 (S+R,P-('B$'.~%0 )@~%1 .~%0 )@~%1 .%*E/%*E/%*E.~%0 )F.'~%0 I,}e$ +Q.(%H.'(F/%*E/%*A%%/%*@~%1 .~%0 )A%~%0 .~%0 )F.''H,Q+S)}t5 ~%0 U*R+*%B~%0 ',((@'~%0 ,')?(%.~%0 *>(%.%+?'%.%+?~%1 -~%0 *E.'(G,)~%0 H+}f$ *S,*$H.'(B%~%0 -')@'%-~%0 +>(%.%+>(%.~%0 *>(~%0 ,'*?~%0 ',((G,)~%0 I*T'}R6 ~%0 O$))*%B''*)(?)%,'*>)%,'*>)%,'*>)$-'*>)$-'*?'%-')B$~%0 ,*$I*}h$ )S,L~%0 %,((A($-')?)$-'*>)%,'*>)%,'*>)%,'*?''*)(A%(**~%0 J(}!7 ~%0 )~%0 -$B('(*(?)')(*>*%*(*>*%*(*>*$+(*>*$+()@2)'B($*O$~%0 )}h$ (O'%*L2)'@*$+()?*$+(*>*$+(*>*%*(*>*%*(*>)'(*(A~%0 )~%0 ,~%0 }.8 ~%0 V(3'@*(%+(?+~%0 ')*>+%()*>+$))*>+$)*(?2+~%0 A*$(O'%'}d$ '~%0 %P)$(M1,$A+$)*(?+$)))?+%()*>+%()*>*'~%0 *)@)2'B~%0 }D8 %V)S+2~%0 @,0(?,0(?,0(?,%%-~%0 @,%%N+T(}i$ (S+R+%%M,%%-%A,0'@,0(?,0(?+1'A)U'}D8 $V)T+Q,Q-P-P-Q,Q+T)}h$ )S*R,P-P-P-P,Q,R*U~%0 }y8 (T+R,P.O.O.P,R+S)}i$ (S+Q,P.O.O.O-Q+S)}:7 %X%Y$}($ 'U*R.O/N/N.O-Q+T(}j$ ~%0 T+Q-P.O/N/N.P+S(}v$ %X%}+4 %W'V(U'W~%0 }'$ )S-P-O/O.O,R*V$}G% *R,Q-O/N/O-Q)V$d%W'V(U'V'}q2 $W'S$%(R$%(U(U'}^$ +R,$$N-Q,Q+T'}$~%0 ~%0 U+R,P-P-$$O+T%}@$ ~%0 V(R$%(R$%(U'W%}:2 %S~%0 $'R~%0 $(Q~%0 $(Q~%0 $(R$%'}=% (T*S*U%}:' $W)T*S*}P% ~%0 R~%0 $(Q~%0 $(Q~%0 $(Q~%0 $(V~%0 }52 %W~%0 %~%0 Q-P-Q,Q~%0 %~%0 }>* $}K( %%~%0 R,P-P-P($~%0 R~%1 $}62 %V(%$R($~%0 Q($~%0 Q($~%0 R'%$}N( $}m$ %}I( 'U($~%0 Q($~%0 Q($~%0 Q(%%R~%0 }:2 %W'U(U(V'V'}k/ %W'U(U(V'W%}q2 %W'V'V'W%}H0 'V'V'V~%0 }EH( -}:9 %7~%0 }W( ~%0 6%'%:~%0 }T$ ~%0 =%5%}'' ~%0 4%'%~;0 ~%0 }^$ %%$7%3~%0 }8' ~%0 B%}U$ %7~%0 }@. '8%'%1%%~%0 ;~%0 $%}[% ~%1 %2%'~%0 2%%%2$%~%0 }'~%0 '2%5%%~%0 9~%0 %%}o% %%%4%/$4$%~%0 }`% %%~%0 ;~%0 5%%~%0 ;~%0 %%}o% $$~%0 ;%6%%$9~%0 9%'~%0 }(M ~%0 >$$%}?$ ~%0 >~%0 }@' %%$8%%%}C$ %%$8%%$}9' ~%0 %$9'}5$ ~%0 %$A'}J: ~%0 +%+%/~%0 }x$ ~%0 .%+%.$$%n%+%+%4$$%h~%0 .%-%0$$%