Optimisation and freq of MM2 opt 12A structure constrained to Cs point g mo=47 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_47_HOMO-1.cub"; isosurface ID "isosurface1" fill noMesh noDots notFrontOnly frontlit; color $isosurface1 "roygb" range -1.0 1.0; -}4T* ~%0 (~%0 Q'~%0 'R~%1 '}W- %6~%0 C'4'C'4'C'5~%0 }V@ ~%0 (~%0 P(~%0 (O0O0P(%'}>, (3(A)2)@+1*?*2*@)2*@(4(C$8$}>? '('O(~%0 )N1N1N0Q%)$}'+ (3(A*1*?+0+?+0,>+0,>+0+?*2*@(4(}E% %Z%}:~;0 %*~%0 O('(M*%)N)$*N)%(P~%0 (~%0 }A% $:%}i' '5~%0 B)2*?+0+>-/,=-/,=-/,=,0,>+1+?)3)A~%0 +~%0 ,%L*U+S,S,S,T+V'}z: ~%0 *~%0 O'((N(~%0 )N(''Q$*%}b$ $:$C$:%}i' (3'A+0+?,/,=-.-=-.-=-.-=-/,>+0,>*(((*A~%0 )+('J-Q.P0O0O0P/P.S*}m7 *T,S,S,}1$ %+%O~%0 *~%0 P%*~%0 }A% $8%}D% )U*U*U*V(M(2)@+0+?,.-=-.-=-.-=-.-=-/,>+'(',>*'+~%0 *A~%0 '.'~%0 J/O1M2M2M2M2N0P.S*}37 ,S-Q.R-R,}[~%0 %6%E%6%}e$ *T,S-R-R,T+K(()'(B*)%(+?,.,?,.-=-.-=-.->,''',>+~%0 *~%0 +@)~%0 -~%0 )B$(/'%I1M2L4K4K4K4L2N1O.T(}U6 ,R.Q.R-R,}[~%0 ~%0 5%E%6%}-$ (U,R.Q.Q.Q.R,K('+~%0 (B*'('*A+(%',?,.,?--,?,(%',?,~%0 ('+@*%,~%0 *@(~%0 .~%0 (H0N2L4K5I6I6J5J4L2N0Q,}T6 +S,S-R,T*}'~%0 $[$0$}i$ *T,R.Q.Q/P.Q.K'~%0 ,~%0 'D)~%0 *~%0 )C*''~%0 +A,-+A,-+A+'~%0 '+A+~%0 )~%0 *B(~%0 ,~%0 )C%'/~%0 %I2L4K5I6I6I6I6J5K3M1P-}27 *U+T*}`~%0 $0$L%0%L$0$}1$ )T,R.Q.Q/P/P.M$','$H'~%0 *~%0 (E)~%0 (~%0 )E).*C+-*C*(%'*D)%*~%0 )E~%1 -%'J0N2L4J6I6I7H6I6J5J4L2O.}m~;0 $0%L$0%L$`(V*T,S-Q.Q.Q.R-N$'*'$J'~%0 ('~%0 I'.(H'.(H'.'I~%0 '('~%0 N,Q0N2L4J6I6I6I6I6J5J4L2O.}L= %/%K~%0 .~%0 K'-~%0 K'%(~%1 K'$*$'K'$/L%$,$~%0 O-R-R,I~%0 +*,%=*,%,);+4+;,$$/$$,:+4+;*6*=~%0 -',~%0 H.O2L4K5I6I6I6J5J4L3M0R+}M= %.%L','K(+'K(*)J($($)J($/J/$'L%%+$%P,H'++*'~;0 +)(**:-3,9-2.8-2.8-2.8-3,:+5*~;0 (8(I*S/N2M2M3L3L3L2N1O.},> %-$M(*(K)()K)(*I*(*J)))J(%~%0 %(L~%0 %(%~%0 R(I*+~%0 ,):,4,8.2.7/1.7/1.7.~%0 -%.7.%/%-8,%0~%0 +:)~%0 2~%0 )D2M2N'((}/$ ,R.R-R,U(}F? 2L4K5J5J*')K))(L'*'F%~;0 ~%0 ~;0 *6+9,4-7.2.7.2.7.'+~%0 /6.%.%.7-%0%-8+%2%,9)~%0 3%*B4K4K5J4L3M'((}]@ *R1M3K4K4K4L3M~%0 *'E~%0 ~;0 ~%0 ~;0 *7*9,4-7.3-7.2/6.~%0 ,'.6-~%0 /%-7-%1%,8+%2~%0 +9(~%0 4~%0 )B5I6I6I6I6J5J4L'*'}F? )S/O1M2M2M2N1O~%0 (~%0 H$>$=)8*9+6+8-4-7-4-7-'-~%0 -7-~%0 /~%0 ,7,~%0 1%,8*~%0 3%*:(~%0 4''B6I6I6I7H6I6J5J4M~%0 *'}b9 ~%0 Y'X'X~%0 }/~%0 ~%0 V,R/O0O0O0P.}^$ (:(:+7*9+6,7-5,7,(,(,7,~%0 0~%0 ,8*~%0 2~%0 +8)'3~%0 );%(4(%C6I6I7H7H6I6I6J4L2})9 'W)U*U*U*V(}-~%0 (U,S,S,U%$%}^% $=)9(:*8*9+7*9+(,)*9*(/'*:((1');~%0 (3''C4J6I6I6I6I6I6J5J4M0}K8 ~%0 X)U*U+S,T+T*V(}G' $Z~%0 Y~%0 Y~%0 Y~%0 }c$ ':'~;0 (:(;(+*+(;().*'~;0 %*0*%E2L4K5I6I6I6I6J5J4L2O.}L8 'V*U+S,S,S,T+U)W~%0 }0~%0 %X(W(W)V)V(X'}+~%0 ,Q0N2M3K4K4K5J5J4K4L2N0R*}N8 'V*U+S,S,S,T+U)W~%0 }/~%0 'W)U*U*U*U*V)W~%0 },~%0 -P0O1M2M3K4K4L3L2N0Q,},9 ~%0 X)U*U+T+T~%0 %%V$~%0 %}D' (W)U*U+T+T*U*V(}d~%0 ,R/O0O1N1N1N0P.R,}D: ~%0 X(W(W$]%Z$}H' ~%0 X)U*U*U+T*U*V(Y%}f~%0 *T,S-Q.R-R,U(}V= %Z%}8$ ~%0 }h~%0 'W)U*U*U*U*V(Y$}SD %%$V%~%0 %U~%0 %%U+T*V(}g~%0 ~%0 X(W(W(W(X~%0 }RD (V*T,S,S,T+T*W~%0 }H' %Y~%0 Z$}TD ~%0 W*U+S,S,S,S,T*W~%0 }8J ~%0 W*U+S,S,S,T+T*X%}pJ (V*U+T+T+T*V(}PK $Y(W)V)V)V(}~%0 N $}o`+ -}#b ~%0 $%:(B(2(?'2(=~%0 $~%0 $%~;0 %%~%0 }U$ ':'}0+ %$%3%%$$%'%,~%0 }2~%0 .$%,+$%%5*-$%>1$%}K' $$%0~%0 7%)%}t$ ~%0 $'$%,-+1$%05$%}JF $$%$%$(,)$%2%$%}v8 4