Diels Alder Transition State Optimisation (Hessian) mo=23 MO coefficients+16 -9.404046 -9.181764 -7.061927 1 BOHR56 0.1763922 0.0 0.0 56 0.0 0.1763922 0.0 45 0.0 0.0 0.1763922 isosurface ID "isosurface1" modelIndex 0 /*file*/"cache://isosurface_isosurface1"; isosurface ID "isosurface1" fill noMesh noDots notFrontOnly frontlit; color isosurface translucent 0.5; color $isosurface1 "roygb" range -1.0 1.0; -}5w% ~%0 L(K)J)J)J)J(L~%0 }{9 $M(J*H,G,G,G-F-F,G,G,H*J(M$}{7 ~%0 K*H,F.E.E.D0C0C0C0D.E.E.F,H*K~%0 }z6 ~%0 K*H,F.D/D0C0C0C0C0C0C0C0C/E.F,H*K~%0 }K6 )I+G-E/D0B1B1B1B2A2A1B1B1C0C/E-G+I)}J6 )H-E/D/C1B1B1B1A3@3A1B1B1B1C/D.F-H)}J6 )H,F.D0C0C1A2A2A2A2A2A2B1B0C0D.F,I)}J6 (I,F.E.D0C0B1B2A2A2A2A1C0C0D.E.F,I(}w6 )I,F-E/D/C1B1B1B1B1B1C/D/E-G,H)}w7 )I+G-E.E.E/C0C0D/D.E.F-G+I)}|6 (K)J*I*E'$)C*$(B1B,$'A-%~%0 A-~%0 $B-~%0 $B-%~%0 B,$'B1C*$(E'$)I*I*H*J(}w4 )I+G-F-F.F-G,H+C~%0 %+B(%*B(%*B(%*B(%*C~%0 %+H+G,F-E.E-F-G+I)}w3 (I+G-F.D0C0D/D0D/D/E.E.E.E.D/D/C0C/C0C0D.E-G+J(}J3 )I+G-E/D0C0C0C1B1C0C0C0C0C0C0B1B1B0C0C0C/E-G+I)}J3 (J+G-E/D/D0C0C0C0C1B1C0C0B1B1B0C0B1B1C/D/E-G+I(}L3 ~%0 K*H,F.E/D/D/D0C0C0C0C0C0C0C0C0C0C/D/D.E.F,H*K~%0 }y3 (J*H,G,F.E.E/D/D/E/D/D/D.D/D/D/D.E.F,G,H*J(}y4 ~%0 K)J*(%B*(~%0 @,'~%0 @-F-G,G-F-F-F,G,F-F,G,'~%0 A*(~%0 A*(~%0 B(L~%0 }W5 $M(K)B~%0 ()B'')B'((B((~%0 C)J)J)J)J)J(K((~%0 C'((B~%0 ()C$))J)J(L~%0 }K5 )I+H+H,H+I)K(L~%0 }N% $M(J)H,G,F,H+I)}x4 ~%0 K*I+G-F-='(-~;0 )(,;**)~;0 *+'=*I*I*I*I+*'=+))=*',~;0 )~%0 .E.F-G+H*K~%0 }M4 %M)J*>((+~;0 8;8:8;.~%0 *;.(';/D.E.E/E.('~;0 /%*;8~;0 8;8~;0 *'+I*I)K%}z4 (@('$$)=+~%0 $$*;.$,;8:9:0~%0 (;0C/D/D/D/D0C0~%0 (;9;8;8~;0 ,%$$*=)'$$)K'}A5 $M)*'>+()~;0 -~%0 *;/~%0 );/(';/D/C0C0C0C0D/D/D/(~%0 ~;0 /~%0 )~;0 .~%0 )~;0 -')=**'@~%0 }N5 %K*H,G-E.E.E/C0C0C/D/D0C0C0D.E.F-F,H*K~%0 }y5 (I+H,F-%%B.$%B.$~%0 @/$~%0 @/%%@/%%@/%%@/%%@/$~%0 @/$~%0 A.$%B-%%C,%$D+I)M$}z5 ''~%0 D)%'C+$(A,$)@,$)@3@3?.$)>.$)>.$)>.$)?4?3@,$)@,$)A+$(C)%(D'~%0 'N$}M5 'K)D'%*B(%*A*$+?+$+?+$+?+$+?+$,>+$,>+$,>+$,>+$+?+$+?+$+@*$+@)%*B(%*I)K'}z4 %L)I+H+C%~%0 ,A'%,@(%-?)$-?)$-?)$->*$->*$-?)$-?)$-?)$-?)$-@'%,B~%0 %,G,G+I)K'}L4 ~%0 K*I+G-F-F.E.E.A$~%0 .A$~%0 .@%~%0 .@%~%0 .@%~%0 .A$~%0 .A$~%0 .E.E.E-F-F,H*J(}K4 (J*H,G-E.E/D/D/D/D/D/D/D/D/D/D/D/D.F-F,H*J(}L4 ~%0 K*H,F.E.E/D/D/D/D/D/D/D/D/D/D/D/D.E.F,H*J(}w4 )I+G-F.E.E.D0C0D/D/D/D/C0C0D/D.E.E-G,H*K%}z4 'K*H,F-F.E.E.D/D/E.E.D/D/E.E.E.E-G,G+J'}y5 'K)I+G-F-F-F.E.E.E.E.E.E-F-F-G+H+I(}y6 ~%0 L)I*I+H+G,G-F-F-F-F-G+H+H+I)K'}M8 %M'K(K)J)J)J)J)J)J)J(L~%0 }98~%0 -}n6 (8'%%9'%%4~%0 2~%0 %$}1$ '/~%0 3'%%7'%%=(}F$ %%%%~%0 ,%%%$%/~%0 $%4~%0 ;~%0 $%;'9'9'5~%0 $%4~%0 7~%0 $%6'$%2*}0% (0'$%1'3'3'4'$%2(}^D %~%0 %}.% %~%1 }u$ )}F% $$'}F+ %%~%0 /~%0 0%1~%0 %$i'-%/~%0 /(}?% $%~%0 +%,~%0 /'/'/'0~%0 -%+'