Title Card Required mo=47 MO coefficients +23 -9.362494 -9.208236 -8.510636 1 BOHR isosurface ID "isosurface1" select ({0:22}) sign color [xff0000] [x0000ff] cutoff 0.02 /*file*/"file:/C:/temp/ts_hf_force once_optfreq_endo_dft optimised_mo47.cub"; isosurface ID "isosurface1" fill noMesh noDots notFrontOnly frontlit; color isosurface translucent 0.5; -}ow' %W~%1 %Q~%2 P%'%W%}.0 $'%Q%'~%0 P~%1 %Q%}V2 'U'~%1 N)$(M(%(N'%(O~%0 %'V%}2' %W%}i$ %W%}4' %Q%~%0 'O'%(N'%(M)$(N'%'O''$R$}i0 ~%0 U(%~%0 N)$(M)$(M0L/N'$)O~%0 %'V$}{% ~%0 U'U'V%}2$ 'U'U'}Q~%0 %~%0 'O'$)M/M0L)$(M)$(M)%~%0 O'}g0 'T)$(M)$(M0L0L0L($)N'$)T~%0 }y% 'U(T(T'V%V(T(T'V$}G% %Q~%0 %(N'$)M0L0L0L)$(M)$(N(%%Q%}X/ $V''$O)$(M)$(L1L0L0M'$*N~%0 $)T'}x% 'U(T(T'V%V(T(T'V$}F% ~%0 Q~%0 $)N'$)M0L0K1L)$)L)$(N(%~%0 P~%0 }10 'T)$(M)$(M0L0L0M'$)O~%0 $)T'}*$ %~%0 $R'T)T''~%0 U'U'V%}2$ 'U'N''~%0 M(T(V~%0 %$}6$ ~%0 R%$)N'$)M0L0L0L)$(M)$(N(%%Q%}30 ~%0 U(%~%0 N)$(M)$(M0M.N'$)S(U~%0 O~%0 S,O+Q+R*S(($X$}=% '($M*Q+Q+R,R'%$[%V'P~%0 $)N'$)M0L/M)$(M)$'O'}C1 ''$P($'O($(N'%(N'$)P$~%0 'U'}'$ *Q+$$N-O-O-P+T~%0 }B% *Q,O-O-O,$$O+U$_~%0 V'P~%0 $)N'%(N($(N($'O'~%0 %Q%}{1 ~%0 V~%1 %Q~%0 %'Q$~%0 'U~%0 }($ (R-N.N/M/N-O,R)}f$ 'S+P-N.N/M.O-P+}9$ %V~%0 Q~%0 %'P~%2 P~%0 '$R$}-6 *P.N.N/M.N.O,Q*}e$ (R,O.N.N/M.N.O,}>: *Q-N/M/M/N-O-Q*}d$ )R+P-N/M/M/N-P*T$}h9 (S+P-O-O-O-P,R)}e$ (R+Q,O-O-O-O,Q*T%}g9 (S*R+)(F+))E+*(F*R*T'}g$ 'T)R*Q++~%0 F+))E+)(F+R(};9 $V*I'(,F)~%0 /D)~%0 1B*$2B)$3C($3D'$*'%I$}D% '%(M($2C)$3B*$2B)%2B)~%0 0D'(-O*S~%0 }D7 'S+P.G~%0 '1C'~%0 4A(%5A'$6A'$6B%%5G4I)}e$ 'T4D%%5B'$6A'$6@(%5@'~%0 4B~%0 '1K/N,Q(}26 $U+P-N0F%'4B~%0 %7@%~%0 7A$~%0 7D8D7E6G4}Z$ *(~%0 J5F7E8D8@%~%0 7@~%0 %7@%'4H1L.O+S~%0 }U5 (R,O/M1J6F8C9C9C8D8D7F4}Z$ 4G7E8D8D9C9D8D7F2J/N-Q)}R5 )R,O/L1K7E8C9C9C8D8D7F5}Z$ 3G7E8D8D9C9C9D7E2K/N-P*}R5 )R,O.M0L2I9C9C8D8D7E7G4}Z$ 3H5F7E8D8D9C9D3I1L.O,Q)}S5 (S+P-N/M0L1J4H5G6F6G5I2}]$ 1H5F6F6F6F5H2J0L/N-P+R(}U5 %U*Q,P-N/M/M0L1K3I3J2L/}`$ .K2I3I3I2J0L/M/M.O,Q*S'}I4 $W'W'N''(K*%)I,$*H,%)G.$*F.%)F.%*F.$*F.%(H,''J)}f$ 'R,'~%0 H.%(G.%)E.%*E.%*E.$*G,%*G,$*H+%)J)~%0 (S(S'T%}X2 $V)S+R+Q,J(%,I)$-G6F+$-F,$,F,$-F+%,F+%+H*~%0 *J'((}^$ $*'J*~%0 *G+%+G+%,E,$-E,$-E+$-F6G)$-H)$,K%~%0 +P+P+Q)T~%0 }z1 'T*R,P-O.N/I'$/G($/G6F)$/F*$.G)$.G)%-H(~%0 +R)}e$ (K''+H)%-G)%-F*$.F6F6F5H'$/I$~%0 .M.N-O,P+R(}x1 'T+Q,O.N/N/M0L0I%$1H~%0 $0H~%0 $0H~%0 %/I%~%0 .O,Q*}e$ (R,J%~%0 .H'$/H~%0 %/H~%0 $0H%$1H$%1K0L/L/M.N-P+R(}x1 'T+P-O.N/M0L1A~%0 *1@)(2?))1?)*0@(*0M/N-Q*}e$ (R,O-B'+/@(*0?))1?))1@')1K1K0L/M.N-P+R(}y1 ~%0 T*Q-O.M0L1B'(1A*'1?,~%0 1?,~%0 2>-~%0 1?,'0@*).D%,,S'}h$ %T+C)).@,'/@,~%0 1>,'1>,~%0 1@*'1@)'2J1K0M.N-P+R(}T2 )R+P-O.E%)0B*~%0 1@,%1@-%1?-~%0 0?-'/?-'/@,),C)+*}i% (,)C+),A,(.?-'/?-~%0 0?-%1?,%2@*~%0 1B'(0L0M.O,Q)}e3 )R,O.D').C*'/A,~%0 0@,'/@-'.@-(-@-$$~%0 -A,$$(*D)-~%0 }k% 'R,$$(*A-$$',@-(-@-'.@,'/@,'/A*'/C')/M.O,P+S~%0 }C4 )S*G%,+D)*,B+),B+*,A,%$~%0 ,A,$~%1 +A,$~%0 ')C+$'N(%~%0 W$}?% ~%2 N)%~%0 M+$~%0 ((B,$~%1 +A,%$'+A+*,A+)-B)*,D'++Q+Q)U%}36 'F(-(E),(D*~%1 '(C*%('~%0 D*%(L)%(M(%(T(U~%0 }h$ %V(M(%(L)%(K*%(K*%('~%0 D*~%1 '(C*-(D(-(G$/'V%}H8 ~%0 (~%0 M(~%0 (L(~%0 )K(%*L'%*R*R)T'}h$ ~%0 U(S*L~%1 *K(%*K(~%0 )K(~%0 (L('~%0 O$};9 ~%0 U(S*R*R+Q+Q*R*S(}g$ ~%0 T*R*R+Q+Q+Q*S)T'}09 (S*R+Q+P,P,Q+Q*S'}h$ ~%0 T*R+P,P,P,Q+Q*S)T~%0 }z7 ~%0 U)R+Q+P,P,P,Q+Q*T~%0 }B% *R+P,P,P,P,Q+R)T'}y7 'T)R+Q+P,P,P,Q+R)}w% (S+P,P,P,P,Q+R)T'}z7 %U)R+Q+Q+Q+Q+Q*S(}y% ~%0 T*R+Q+Q+Q+Q+R)T'}U8 'T)R+Q+Q+Q*S)}/' (T)R+Q+Q+R)S(}g9 'T)S)S)T'V$}i' 'T)S)S)T'V%}{: %}i* %}?P~%0 -}T( $$%.%/~%0 }|$ ~%0 2%0~%0 }M$ %*$/%|-z%4$-%}3$ %5%u'o%9%}5$ %5%}X$ '$~%0 }L$ %9%}7$ %/$-%i%9~%0 }6% ~%0 6%j%6$-%}3$ %-~%0 .~%0 }~%0 $ ~%0 6%}M$ %.$$%i%5%1$$%}27 ~%0 %%F'E~%1 %d~%0 $~%0 O'I'?~%0 '%}B~%0 $$%$~%0 2(}r% %'~%0 3~%0 %~%0 }v? '%~%0 2'$%3'1~%0 $%2~%0 $~%0 p~%0 $~%0 ;~%0 $%7~%0 $%2*8(}V~%0 %%~%0 3~%0 /(1~%0 '%}F~%0 ~%0 %%1(1~%0 1(}]% $%%/$,%%$+~%0 %$}I% ~%0 %%/(,%,'}3% $%~%0 3%/$%%/%$%}1% ~%0 $%0(0%'%.'