Title Card Required mo=47 MO coefficients +23 -9.263907 -9.203760 -8.564279 1 BOHR isosurface ID "isosurface1" select ({0:22}) sign color [xff0000] [x0000ff] cutoff 0.02 /*file*/"file:/C:/temp/regioselec_endo_TS_QST2_mo47.cub"; isosurface ID "isosurface1" fill noMesh noDots notFrontOnly frontlit; color isosurface translucent 0.5; -}ow' ~%0 V'U'U'U~%0 }W/ %V'U'U'U'}U2 ~%0 U(T(T)S(T(V%}E. %V'T(T)S)S(U'}D1 %U(T(%~%0 N*$~%0 N*$~%0 N*$~%0 O(%%Q'}C. 'T(~%0 $P(%~%0 N*$~%0 N*$~%0 O(%~%0 O(U~%0 }h0 ~%0 U(%~%0 N)$(M)$(M/M)$(N($(O'%%}3' $W%X$}3$ %W%}.' 'T($'N)$(M/M/M)$(N(%~%0 P~%0 }h0 ~%0 U($'N)$(M)$(M/N.N($(O~%0 %'}g' %X$}3$ %X$}/' %~%1 O($(N($(M/M/M)$(N($'P~%1 %}i0 %P'%'O.N.N/M.O~%0 $)T'}e$ $R'T(V%}h' 'T(W$~%0 $}l$ 'P~%0 $)N.N/M.N.N'%(P$'%}@1 $~%0 'P~%0 $)N'$)N'$)O~%0 $)S)T'})$ '%$O-O+Q+Q+S'}T~%0 *Q,P+Q-P)%$}6$ 'T)O~%0 $)N'$)N'$)N'$)O%~%0 'V%}D1 'T(T)S)S)S(U~%0 }~%0 $ ,P,O.N.O-P+}v% )Q-O-N.O,P,R)^$V(T)S)S)S)T'}U2 ~%0 U(T(T(U~%0 }~%0 $ -N.N/M/M/M.O,R(}g$ ~%0 S,O.N/M/M/M.O-}7$ ~%0 U(T(T(U'V$}M5 $V,O.M0L0L0M.N-Q)}e$ (S+P.M/M0L0M/M.P~%0 }29 ~%0 T*Q-O.N.N.N-P,Q*}e$ (R,O-O.N.N.N.O+R(}09 ~%0 U)R+Q,,%E,+'D,+'D,Q+R)}f$ (R+P,P,+'D,+'D,+'D,P+S'}19 ~%0 T)**E*(-B,'/@,~%0 0A+%1A+%0C*+(F(}g$ 'S*-%E+%0B+%1@,~%0 0@,~%0 0A*(.B*)+E'}_8 )I~%0 )-E('0C)~%0 2A)%4@*$4@)$5@)$5A($4D%~%0 '}h$ %P'$3C($5@)$5@*$4?*%4@)~%0 3@('1C~%0 ).O*}?7 *Q-G%(0D''3A(~%0 5?(%6?(%6?($7@'$6C$%6G3}[$ 2I5B'$6@($7?($7?(%6?(%6?(~%0 3B~%0 '1L.O*T%}U5 (S,O.N0E~%1 4A'~%0 6?'%8>'%8?%~%0 7D8E6F5}Y$ 5G6E8A$~%0 7?'%8>'%8>'~%0 6?'~%0 5B$'2K/N,Q)}R5 *Q-N/M1E%'3C~%0 %7@%~%0 8C9C8D8D7F5}Y$ 5F7E8D8D8@%~%0 8?~%0 %8?%~%0 5H1K/N-P*}R5 *Q,O.N0K2J4H7D8D7E7E7F5T%}~%0 $ 5F7E7E7E7E8E5G3I1L/N-P*T%}y4 )R+P.M/M0L2I4H5G6F6F6H3}[$ 3H5F6F6F5G4I2J1K0M.N-P*}S5 'T*Q-N.N/M0L0'$F2~%0 $F4I3I3J2}]$ 0J3I3H4H3%$F1'$G0L/M.O-O,R(}U5 %)~%0 L)~%0 )I+~%0 )H,%*F.$+E.%*E/$*E/$+D/%*D/%)F.~%0 (G,(%}!$ +O.~%0 (E/%)E/%*D/%*D/$*E.%*E.$+E-%*G,%)I*%)K''(}?4 )S+R+K'%-H)%,G+$-F7E,$-D-$-D.$,E-$,E-%+F,%+H)'(}]$ '((H+~%0 *F-%+E-$,D.$,D8E,$-E7E+$-G)%-H'%-O,O+Q*S~%0 }y1 (S+Q-P-O.I'$/G6F)$/E8D+$/E7E+$.E+%,G)~%0 ,I~%0 (*}d$ )I)~%0 ,F+%,F+$.E+$.D+$/D8E)$/F6G'$/M.N-N-O,Q)}w1 )R,P-O.N/M0I%$1G'$0G'$1F6F($0F(%/G'~%0 -I~%1 -P+}d$ )K~%0 ',H'~%0 -G)$/F($0F($0F'$1F'$0G~%0 $1K0L0L/M.N,Q*T$}D1 )R,P-N0L0L1L1K1K2K1H$%1L0M.O-P*}e$ )Q,O.M0H$%1H$%1J2J1K1J1K1K0L/N,Q*T%}C1 )R,O.N/M0L1K2A~%0 )2@((2@)(2?*(1@)(0D%*/O,R(}f$ (R,O.A))/@*(1?)(2?((2@')2J2J1K0L0L.O,Q)}x1 'S+P.N/M0L0B')1@*'2?+~%0 2?,~%0 1?,'0?-'/A*)-E~%0 ++T~%0 }7% $,+C*)-A+(/?-~%0 0?,~%0 1?+~%0 2?*'2@((1K1K0L/M.O,Q)}S2 )R,O.N/M0B((0A+~%0 1@,~%0 0?-'/@-~%0 /@-'.A+),D(,)}j% ',)C+*+A-(-@-'.?-'/@,~%0 0@+~%0 1A)'1B~%0 )0L/M.O,Q*T%}W2 %U*Q,P-F$+.C()/A*).@,(.@-(-@-%$~%0 ,A,$%'+B+$~%0 ')E'~%1 }t% %'%N+$~%0 ')B,$~%1 +A,$%~%0 ,@-(-@,(.A+(.A*(/C~%0 *.N-O,Q*S'}C4 (T*R+D(++C**,B*++B*~%0 %'*B+$'')B+$'('D)%(T'V%}i$ %V'M(~%0 (K+$'('C+$'')B*~%0 %'*B*++B*++C(++F$-+Q*R)U%}46 $I%0~%0 F(.~%0 E)~%0 '(%E)~%0 (K)%)L(%)M~%1 )S)T'}g$ ~%0 U)N$')L(%)K)%)K)~%0 (K)~%0 '(%E).~%0 F'/~%0 V%}$9 %('M'~%0 )L'~%0 *K'~%0 *R*R*R)T'}g$ ~%0 U)S*R*K~%0 '*K'~%0 *K'~%0 )M%('}g9 'T)S*R*Q+Q+Q+R)T'}h$ %U)S*Q+Q+R*R*R)T'}19 (S*R+P,P,P,P+R*T%}C% )R+Q,P,P,P,Q*S(U~%0 }z7 ~%0 U(S*Q,P,P,P,Q*R)}x% (S*Q,P,P,P,Q*R*T~%0 }{7 $V(S*R+P,P,P,Q*S(}x% (S*R+P,P,P,Q*S)T~%0 }U8 (S*R*R+Q+Q*S)T~%0 }U~%0 (S*R+Q+Q*R*S(}f9 (T)R*R*S(U~%0 }2' ~%0 U(S*R*S)S(V%}E: %V~%0 V~%0 }V) ~%0 V~%0 V~%0 }>q~%0 -}q( $$%/%+~%0 }T$ ~%0 0~%0 }9$ $$$+'}S$ %)%)'}'$ ~%0 +$4$-~%0 })% $$%5$+%.~%0 q~%0 .%+%+%,%]%;~%0 }H$ ~%0 ~;0 %Y%4%-%)%/~%0 }2% ~%0 0%}C$ %.$$%}B: ~%0 %%2'I'L~%0 $~%0 s$$%$~%0 G'3'1~%0 '%}J~%0 $$%$~%0 0(}n? %%~%0 :(5'3~%0 $%2~%0 $~%0 }#$ ~%0 $%9~%0 $%5'8)$%8(}v~%0 %%%0~%0 %$.%%%0~%0 %$}e% ~%0 %%-(5'0'}e% %%%.',%,'.%%%}J% '0'4',%,'0'}(% $%~%0 4%%%,$%~%0 0%%%-%'~%0 /~%0 '%}#% %~%0 %+',%.'0%'%.'}f' ~%0 5%