Title Card Required mo=48 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_mo48.cub"; isosurface ID "isosurface1" fill noMesh noDots notFrontOnly frontlit; color isosurface translucent 0.5; -}T@' %W'V~%0 }N( %W'V~%0 }%~;0 'U)T*S*S*S)V$}!~%0 )T*S*S*S)U'}3: (T*R,Q,Q,Q,Q+S)}|% )S+R,Q,Q,Q,R*T(}y8 'T*S+Q-P-P-O.P,Q+S(}j$ ~%0 U+R,P.P-P-P-P,R+S(}f7 %V)S+Q-P-P.N/N.O.P,R)}h$ (T,P.O.O/O.O.O-Q,R*T'}.7 (T*R,P.O.O.O.N/O-P,Q+}g$ )S,Q-O/O.O.O.O.P,R+S(}-7 )S+Q-P-O.O.O.O.O-P-Q*}g$ )S,Q-P.O.O.O.P-P-Q+S)V%}w5 $V*R,Q,P-K%~%0 .I~%1 .I'%-J'$.J'%,M%%+R*}g$ )P$~%0 +M~%0 %,K'%-J'%-J'%.J%~%0 .O-Q,Q,R*U~%0 }v5 %V)S+Q,K%',J'~%0 -H)%,I)$-I4I3K)$*N~%0 %)}c$ ~%0 %(O($*L2J4I4I)%,J(%-J%'-P,R+S)U'}v5 $W(T*R+J(~%0 +I*%+I*%+I+$+I+$*J+$*K*$(N)%~%0 }d$ '~%0 %O*$(L+$)K+$*J+$+I*%+I*%+J(~%0 +L$(+S*S)V~%0 }Q6 (U)K''*J)~%0 *I+%*I+%*H-$)I-$(K,%~%0 M+S*}g$ )S+Q,%~%0 L,%'J-$)J,$*I+%*J)~%0 *K''*T)T(W%}R6 'U(L(')J*~%0 )I,%(J,~%0 'J-~%0 %K-P-Q,R*}g$ *R,P-P-P-~%0 %K-%'J,%(K*~%0 )K(')T)U'}^7 $)'L)''K+%(J-%'J.%$L.O.O.P-Q+}g$ )R,P.O.O.O.O-%'K,$(L*~%0 'N~%0 ('W%}_7 ~%0 U*%~%0 M+%~%0 L-$%M-P.O/N.P,R*}h$ (S,P.O/N.O.O-$%N0N*%~%0 P'}D8 ~%0 U)S*$$P+$$O.O/~%1 H/%~%0 I/~%0 $K,T~%0 }F% *R-O/%~%0 I/~%0 %I.($J+$$P+$$Q*U(}C8 'U(T*R,'$L2K2K1M0O'}Y~%0 0L1L2K2K,'$M*S)U(W$}h7 ~%0 V(U)T/N/N.P/O+Y$}W~%0 +Q/M.O/N/N*S)U'}z8 ~%0 V(U-Q-J$(,K%(+L$,~%0 }:' %L%)*K%',Q-O.O)U'W$}Q9 'U)T)+~%0 I**~%0 I**~%0 I*T)U'}k$ %V)S*S**%J**~%0 I**~%0 I)U'}X9 $W(T*R,Q,Q-P-P-Q,R*}g$ )S,P-P-P-P-P,R*T)U~%0 }B8 )S,Q,P.O.O/N/N/O-P,T~%0 }2$ +Q-O/N/N/N/N.P-P,R*U%}07 'T+Q-P.N0M0M0N/N/N.P,S'}1$ ,P.O/N/M0M0M0N.O.P+S)}-7 )S+Q.N0M0M0M1L1M/N.O-R'}2$ +Q.O/M0M1L1L0M0N.O-R)}-7 (S,Q.N0M0M1H%%1G'%0G($/I'$.L$~%0 +S~%0 }3$ +L'%-I($/H'%/H~%0 %1L1L0M0N.O,R)}.7 ~%0 V*R-O/H~%1 0F)$0F*$/F+$.F7G*$-I)$+}`$ ($*K*$-G7F+$.F*$/F)%/G'%0M/O-P+T'}e7 (T,I(~%0 -G*%.E,$/D,$/D-$.E,$-F,$,I*%)N%}2$ *%(K+$,G,$-E-$.D9D,$/E*%/F(~%0 .O,R)}@5 ~%0 W'V'X$}1$ %N'()I+~%0 +G+~%0 -D-%-D-%-D.$-D.$-E-%+G,~%0 'N~%0 }1$ +'%J-%*F.$,E.$-D-%-D-%-D-%-E+~%0 ,G)'*T~%0 }n$ 'V'V~%0 }!1 'U)T)T)T)V~%0 J~%0 U*'(I,~%0 *F.%+E.%,D/$,D/$,D/%+E.%*G,'~%0 N~%0 }1$ +P.%)F/%+D/$,D/$,D/$,D.%,E-%*H+~%0 (K(c~%0 U)T)T)T)T(W$}l/ 'U)T*R+R+R+S)H)+~%0 H,~%1 J.%(H7E9D0$+D0$+D0$+E/%)H,($O%}1$ ,O/%(G/$+D0$+D0$+D9E7F.%)H,~%0 'K*_)S+R+R+R+S)U'}j/ (T*S*R,Q,Q,R*G*)(G-O/$(H/$)G8D9D1$*E0$*E0%(H-}e$ ,O/%'G0$)E1$*D9D9E/$*F/$(I.%$M+((J~%0 **R,Q,Q,R*S*T(}i/ (T*S+N%%+N~%0 $+O%$+P$$+G)(*G-($I/$~%0 I0$(G7F0$*E8E1$(G/~%1 J-}d$ ,O/~%1 G1$(F1$)E8E7F0$(H/$~%0 J.P+()I~%0 **P%$+N~%0 $+N%%+R+R*T(W$}5/ 'Q$~%0 )O~%0 %*M0M0N/N/G('%$)G-'~%0 H/N0$~%0 H1$'G1$(F1%'G0%'H/%~%0 J-}e$ ,O/%~%0 H0%~%0 G1%'F1$(F1$'H0$~%0 I0N-($K)~%0 %$)P~%0 $*N/M0M0M'$+N%~%0 )U'}k/ %Q'%(N($)N0M0M0N/H~%0 ''$(H+)%I.N0M1L1%$I1%$J0%$J/~%0 $L,}f$ +P.~%0 $J0%$I1%$I1%$I1L0N/O,R'~%0 '$(O.N0M0M0M($*M(%(P$(~%0 }e/ %V)%~%0 O)$(N)$(N0M0M/P($~%0 J)~%0 %N-O/N0M0M0M0N.R*}h$ )Q-O/M0M0M0M0N-P*~%0 %P%'($~%0 P.N/N0L0N)$(N)%~%0 P'}j/ 'U)T*S*%%O*$'N*%~%0 N*%%P)O~%0 ''N+Q.O/N/N/N/O-S(}k$ %T,P.N/N/N/N.P+R('~%0 U(T)%%O*%~%0 N*$'M+%%O*%%O)U'}k/ ~%0 V(T*S+R+R+R+S*U'O(T,Q-P.O.P,R*}{% *R,P.O.O-P,R)U$)~%0 U(T*R+R+R+R*S*T(}k/ %V(T*S+R+R+S*T)U'Q$X(T+R,Q,R+T'}$~%0 'T*R,Q,Q+R*T~%0 ^%V(T*R+R+R+R*T)U~%0 }H0 'U)T)T*S*S*T(}B% (U)T)U'}9' ~%0 U)T)T(V%}p$ 'U)S*S*S*S)U'}!1 ~%0 V(U(U(V'}$1 'U(U(U(V~%0 }+;' -}57 ~%0 .%/%2~%0 }8$ ~%0 3$$%+$$$$%}F% '.%-%1'};$ ~%0 %$-%+~%0 +'$%}u1 ~%0 6$$%}S~%0 ~%0 4%-~%0 %~%0 }D% $$(}?$ (1%$%?~%0 }'~%0 %/(-~%0 $%}Y$ %2~%0 {~%0 4%}{$ %6~%0 f~%0 =%}l; (8%%%$%/'1'%%}?$ ~%1 %5'/'.%%%$%0%'~%0 }K% '2%'%0~%0 .~%0 }N$ ~%0 .~%0 D~%0 %%1%%~%0 }o% ~%0 0%}a/ ~%0 0%.~%0 }~;0 % ~%0 -%2$$%}j~%0 ~%0 *%)%(~%0 }(% ~%0 )%-%0$$%}_~%0 ~%0 4%%$}b$ ~%0 -%%%,$.$$%}]% %2%-%0~%0 }Q$ ~%0 %$/%/%}]$ %/~%0 0~%0 %$/'|~%0 =%-%-%.$$%}8$ $%%4%.~%0 S~%0 $%}D' %%$I$$$}F$ $%%C%%$H(}D~%0 %%$?%+~%0 }~;0 $ ~%0 2%/%-%5%}E~%0 %3%-%/~%0