<?xml version="1.0"?>
<jvxl version="2.3" jmolVersion="Jmol 13.3.9_dev_2013.11.06  2013-11-06 16:15:" xmlns="http://jmol.org/jvxl_schema" xmlns:cml="http://www.xml-cml.org/schema">
<jvxlFileTitle>
Diels Alder Transition State Optimisation (Hessian) mo=23 MO coefficients+16   -9.493201   -9.229119   -7.061035    1 BOHR57 0.1763922 0.0 0.0
56 0.0 0.1763922 0.0
44 0.0 0.0 0.1763922
</jvxlFileTitle>
<jvxlVolumeData origin="{-5.0235853 -4.8838396 -3.7365386}">
<jvxlVolumeVector type="0" count="57" vector="{0.1763922 0.0 0.0}"></jvxlVolumeVector>
<jvxlVolumeVector type="1" count="56" vector="{0.0 0.1763922 0.0}"></jvxlVolumeVector>
<jvxlVolumeVector type="2" count="44" vector="{0.0 0.0 0.1763922}"></jvxlVolumeVector>
</jvxlVolumeData>
<jvxlSurfaceSet count="1">
<jvxlSurface type="mapped isosurface">
<jvxlSurfaceInfo 
  cutoff="0.0" 
  isCutoffAbsolute="false" 
  pointsPerAngstrom="5.669185" 
  nBytesData="16058" 
  isXLowToHigh="true" 
  nSurfaceInts="1608" 
  nBytesUncompressedEdgeData="4775" 
  nBytesUncompressedColorData="9552" 
  nExcludedTriangles="258" 
  precisionColor="true" 
  bicolorMap="true" 
  colorNegative="[xff0000]" 
  colorPositive="[x0000ff]" 
  color="[xffffff]" 
  translucency="0.5" 
  colorScheme="roygb" 
  rendering="fill noMesh noDots notFrontOnly frontlit" 
  note="progressive JVXL+ -- X values read from low(0) to high(56)" 
  xyzMin="{-3.5075924 -2.1095822 -1.9716368}" 
  xyzMax="{3.0796762 2.1081512 2.1108625}" 
  approximateCompressionRatio="187:1" 
  jmolVersion="Jmol 13.3.9_dev_2013.11.06  2013-11-06 16:15:">
</jvxlSurfaceInfo>
<jvxlIsosurfaceState>
  isosurface ID "isosurface1" modelIndex 0 /*file*/"cache://isosurface_isosurface1";
  isosurface ID "isosurface1" fill noMesh noDots notFrontOnly frontlit;
  color isosurface translucent 0.5;
  color $isosurface1 "roygb" range -1.0 1.0;
</jvxlIsosurfaceState>
<jvxlSurfaceData>
<jvxlEdgeData count="4775" encoding="base90f1" bsEncoding="base90+35c" isXLowToHigh="true" data="(C{l##|plh_pCJpa]dGxn[k!X_r^Xl]Y`sa@sc`g{wBaqmur[M~;0 ]5?rX_bZSb+xpIDkL~;0 8?R8sk|N3%(9W3zCg~;0 (EVqiWZ1:dU_T,5^L^U-6_NR]4~;0 gZ;mA'-JwsCmV:+(.@_fC-wVFBI]+*q-eniq8Od[i%*z.r${w14qcI608bM.tm84n8>5qmm@G2Z:e#+[gdSMQIb>C9h8>2g9?3_BG=MSWP0o+3qo`^L%SbC*vH',N.-2c_ICKb5AY>6?[$,{o06l]9uxb89dZFEWSQJ4/mL^_^1//|!cf{9ZHOFF9AK=2;K?3~;0 CJ=E4bPUAuoqR@=a=-v')tt)v.0kriw3!Y=4~;0 W+5jaG?E!3E!M/XT*AI0##|cwBQUzLMWy]-ru5+g3HJ#*!ZfngQalG[kI!eVdXquC3b3*zEUM-7.Bcor>W~;0 -##rY1EhT]%/FrgkJpdon`A0C9~;0 vj#{|74.*lqHU:'xzV3ZgEp9t4s5n~;0 cKPGc/2>,d^9Z*wMA*s#@DD/c)%*SwZMN^C]aoqfL-+,mw7e$$3Cn`36,XaJB[/d$hhkxhoycX'X5CK)jzLpReD;j1-6b.0N$_v;Em]MKWu_?`V!T;J-?Erj,r$MK-s2.21]!]mw=_2)?J2vDpCq~;0 _z-p/[!qFQl.nvaD/73q'qt8>H(i`+EDSkcl?aupI8yUxnywe>R3?~;0 ={[~;0 8+/-^JYd5q1*J2F3@T'UGZ9{FY|=Qy*6,?:2vyUJV/(b4mqa**rr_]>T;(/ocmM6ACD9XEctuc;/eLZkwwgAJ!'giha3eL^OgE6~%0 lp2t9;,UE=DKE='JC?$B9H3#]|bg1'q@:Y`RLVRCTK#~%0 )y!~;0 |+QEBTCUVC03u_ZsRqXTj@:6qK~;1 G[NwlpQ818H_$#!:mD34@VbO]]P6McB9?QndrH_WT>6vPNfKFPc!rutr=WU=qZWe37M`E9k,;ollz!PAU+0v/bS,o3dR$z2dR~%0 xBAx:yl-aS2h1)zedNeXNLIGkSP!6)~%0 yPcG@I!@_]~%1 {@IeB6:J[BDY~%0 x!(7xK`:.uH52~;0 PMG9kFlF:d^[>48F!0yq-rXEBL_{w7VlafwrjbLNn+/rY?p+u+l~;0 OZ5CCZ,qS.50l@jiQc/#Bf@4)s6Ss!AW7Z~;0 :0KN3?5^_YL2KS~%0 ?8nuywnY-C_':fr;4eaEDtL6l8$~%0 4KI;YsIMc^.tA/0?UWWrKOf0r?,.~;0 RPXrKRd~;0 g1-E)YrCqYHY2tSq#nolCNO#i|n]q^mvcMJN*|,pSL=;],G)*/y.LgmOTA@fD0s*Eqd${5:cYM9LdJGWvPogNHSt##|@AK2EB-lfTfb/#||ki,%zzdRE7%$x6MlkICxv`0Zo;l+Kseq,DcX9p~;0 p1,l+LiF8>;*j5Ue~;0 DB2k3S];CA0o%F56:7~%0 r6XY+$q#~;0 Z*jAfjU['R2@-=Asp=r:zz>9WwOYN~%0 EC>R:XWAPk>'Ft$D7^x1~;0 O!YG$]n|KJqkYKfRAQi##FI?aCIpd`w82'zXEz:qhzI.%{EJ{z|0i[{M9w+3wumZW[8F?A=rR?)~%0 USZjKHqiv`3BE,z@zwqdg|#$GWWG$>zLTOEXQ_F>4Hf$cA7+2H2[;g,Ln_fq1~%0 r~%0 2r/q8wwnN!fEW7A1~%0 x{7XM#{|d{9zcc0aor~;0 ,>xryhh{$'+~;0 >.^(o]si5fkvrBa=pW%r3*wV/Q@^m99)==HIZP:nTv{SixPgGS9C$:ySg:HF*vybHI7)HG!%%vB8N/9H^9-(g'j4*S)OT8pLkdgX4b?xsxSJJ[x^O^+E32cTZFrxxe*n~;0 eCSoXd3%vhp3Jpu;(ot91en-!Ta9x>Oi$6bEprgKRy*t>OnLQr;ccohBN>.BhjmUSdNil[4fIShjV%yKVYG,u?1{z>hRwF1x-nig;9E/d~;0 QMl2fd|uuy1p~%0 #9g`||7jrr*ub`Ot(LGf84*a>iidh9LB*${~%0 )2wtJ^M?21t,TY=8Jm3i4LQJSa?;OPB$68oeRsQ]d@;csthO'yF38R,{{WyZj[*uiFm4m:,4Rm-;kmJ7xW%~%0 zG9DgYQ|zDt`0w=p`oQ_,exFlb2iShBvls^-TO2F){W#aI;uO#hTEqJgSBrK_F2xRQ.:x[(>[thib1T]^jOU]6(cDfd4?.s@3>k_JO$||q`//q=.6R,9lOX:wUYfS=AY/X~%0 |w$$|e?2bgctf7bDrIpbG]Pi1FE4$.{w.1n]8v*3lL/vs73f-XAc~%0 P0//$s(!E/==2kB{{~;0 GE:%ES=vzs1GNJ='Q@iSc2Jt?OSL=%kVd*HUTK95OWTH5:QXTG3:RYTH44OXVK8)HVVM=$VmEh2!C2oh>PTN@)mW~;0 *HdW1IPL?*p98sm>IG;~%0 o'[F2?>2U9(W@0/0r/:f[8T^HKcDHcICW',qK/!Z39ccR]?fj]Q77y*Okce0M7kY(jZ>5ncbBN6!y*{l)u=(/^hHwqpCxaD06RMvmkp5Bwmim4|y9xnilzr8xnjm{u?wnkoK*6mW-kbAxpntK?~;0 @yk=^T)|uv11r]L-tEON.UtR.-Y8!slZo5G+:>NTa5Z631n~;0 3pT_0Gvcf/8WloSIT]Lm[NWu5P*9y;pAl=n+xeO+UNJgdaVLGGMb]$|{#||/U!RD81.2>W,^HnsdO~;0 -$*>ldS-p92KQie>tS;)/P3E.0DgOm!>)~%0 D0zySeC,>qmFkG/;nhGjG.~;0 ojXdC,$Aur9m78q[?++JE(;8xxY2aX[FsU>-$6YAnh+M_GphUB4+')3Iqh=*+!h]OC;9>Kf^K)r9RHwh^XX_qKWglE:vsO913Cf8cc9fzk4TKvigOMkPCe[!3p46qI~;0 -*:[r!=*yz)-tB[KSJU>b)W!;[2zQ]9z3KZH:fA;fWWP])0uu5LMd2~%0 .o@SMIY15rRPbHo/%WEatuJRnqLPps!AyzUSw+'j,MQ`no_C$vmdJ~;0 ?]Jjl!]6e;?04e(+_r88sqMiTd${D2,.8P|p|6[pV=PEQ'zzF.%%0J|.YmJ)JyI)*4by^]Trh29-2]th3s-86le=+Z/?Ddtys_~%0 4cbfg2nrROLJRww^@mcMd=aihe-{Vw:7#DxagJMF7nt|.QQKT!@{${|C!m'M_EWAXCcHq3SStxgH$:+UfQGHrwgJ'ngbT7(tt!-6LxxxUKk/0*[^R?QLu(/z{%{{fz,v.]?''6!7M{1mf:=mbOIOgY(ARIO+NXI2p51H81_tvf?9##_{xV0SuLPGiqTvzr-[wFBIzjS6Ny_oGLfmldQ~;0 *32+-nw#?D8$1@VDA?48-2*3+:0A9'CJ8TYN:%3:5cWrzsbK5$,6sxB.^##iLRu!8,J7_O|uYJwXG/ZWNWPqEvg?BD!Rh@ODfE78Ip~%0 -/,#43h{]#x|)':2%p{~%0 ]i~;0 'N4Dl5LL~;0 V8~;0 W,7R~%0 2M#3N$9T(~;0 W1:TA1EY~%0 ($#/+tGXS-,/gmG@4MWFY[@:Fh~;0 >cMV1*F/)w63s_Q2--^njO3~%0 J`31Q1/;1q*2eS21IIyyeirC%#|G-.EZ3t;l~;0 (-FTM`4~%0 0Ns:I!@XX2(8!TN[4!V2-BljLV-!V41HwvIR+[W40GutJS,XX3,?gcMX0P]4(5VKM!9Ah:(/K0E[H+wD,/FAaakQ32H;+O`:6N.%kRV!0s?9YB/kjSM]WTGoi9RFSuB,]gTYx*>pH.,mnx(Hd^l=~%0 +e6G=%w^?!)xgc/ujpLNa:[V^uSGbz64~;0 r9fEpJT+ZUH:'%OLMZBLANIG[AXQJDEZBUMKEFVFF8OJJNO4HS@_'c*v($wgk32StpFLQ#_ZM>%$w#|1omJZEz{IILJ~;0 Y:4_/cD,{KJM-L(-`FO+0_GJ,0ihNORVWF;H%~%0 {{5B~%0 m_!T('I~;0 MZV:XSKK.'^ELY'FgNCjnGxpG9|P3^|.j$)r4a9D-C*#{6^F;?'K|5`C7@(+#|0g2$D+~%0 w'uw.iat~;0 OcqEsbVHDQG]>+'w#|VP:~;0 p!hThf;Ad${1li%1r7>3'v)wwD*';u5BT!P'twZ`9gm_R74-_Ipq~%0 C;X]!'VuwPuXRGpeLn)z6!3R]SY3~%0 tSYE#^b5;kOrd;0sU.N+*b:-vV~;0 6~%0 `7.u#U93'`8.uQ%%+b90tIqic86o;>Y_.Fc%vZQRByjhJtgXT;f0[TiC#bbDgc^a3Am||.Q8zIn/@03q93Z:s@uvly3>S_X;WYa^FbXOPeB6Bb,-~%0 d/{{6~;0 @ww~%0 EL7Q4#0MUC[-3OWGa192NUGc?B0LTEb;?0LTE^'52NUFV(2NUDI;zy,IP=4vv>D-Jr1#*/N20uL4txh0Itfq:40TfvhotDxSO6ZHO{a9QKfP3-(!kGf[{Ru;JL%JW>R!R!_]c^ZaYKXQ3NDI.KZl~%0 WG[n>mR4~%0 ey'`u[^I*IL3obuy##42@e##]vMJ))YSDk$w|!BXeB||6|53A7G>JBIAD;;5,3UOr9VH,cmPA1D,]mHAiwjF6:7/Jx#EB#~%0 (N``L+u-DFy-t?85~%0 `mXdY:HV9Mh3gs4vy8{|;y{:ov6[n39`4J=)Qp5Xr/osgI)st:~;0 MDC+Hv,yedy'Zqr[H17^st`2i1>B@:j'%5!ERPkmpVF+L9J@LCNBM=K3J){{O!d],@wHefoF~;0 *wu.-r:eN6Jgg'QCODc'0Yln^2;sJcehR,y8%qkhv1sS`HfZ>qn=_-H--p=='wEE~%0 xII~%0 wGG~%0 xAA~%0 x56)u%||2kd^FU@1j+g!E!N_[Z%Mha{7_N[Pq==PRDJjy|pS=lFIszX@tBX;1X`!+jUCk9ul4r@{x.vC2#-vBO||-v=xs1t3pb:pcGNfM2ysrS-_$|zkgh36YSjLmk`A#8;+0BD7*IX[O2~;0 Ygi^BFbpqfKLgtvjO#OivwlPNivwkPJestiMB^lncG4RacX~;0 ?PRF(47*">
-}mq% ~%0 K(J(J(J(K'L$}y9 ~%0 K)H*G,F,F,F,F,F,G*H*I(}L8 (I*G,E.D.D.D.D.D.D.D.E,F,G*J~%0 }#7 (H,E-E.C/C0B0B0B0B0B0B/D.D.E,G*K$}'6 ~%0 J*F-E.C/C0A1A1A1A1A1A1B0B0B/D-F,H(}$6 (H+F-D/C0A1A1A1A1A1A1A1A1A1B/D.D-G)}#6 (I+F-D/B0B1A1A1@2@2A1A1A1A1B/C/D-G)}$6 ~%0 J*G-D.C0B0B1@2@2@2@2A1A0B0C/C.E,H(}P6 (H+F-E.C/C0B0A1A1B0B0B0B/D.E,G)}N7 (H+F-E-D/C/C/C/C/C/C.E-F+H)}T6 'J)I*I*E%%)C)$(B0A,$'A,%%B,F,F,F,$~%0 B,$'B*$(D'$)H*H)H*I(}S4 (I*G,F-E-F-E-G+B'$+A(%*A(%*A(%*A(%*B'$+G+F,E-D.D-E-F+H)}W3 $K*G,E.C/C0C/C/D.D.E-E-E-E-D.D.C/C/B0B0C.D-F+I(}*3 'I+F-E.C/C0B0B0B0C/C/C/D.C/C/C/B0B0B0B0B/D-F+I(}*3 'I+F-D.D/C/C0B0B0B0B0C/C/C/B0B0B0B0B0B/C/D-F+H)}U3 )H+F-D.D/C/C0B0B0B0B0B0B0B0B0B0B/C/C/D-E,G*J'}W3 'I*G,F-D.D.D/C/C/D.D.D.D.D.C/C/C.D.E-E,G*I(}U4 'J)H*H+F,F-E-E-F,F,F-E,E-E-E-E,F,G*H*I(}!5 ~%0 D%)'B'((@(((@)(~%0 A)I*I)I)I)I)I)H)I)(~%0 A(((A'((A~%0 ((K'}R5 'J)I*H*H*I)J'}F~%0  ~%0 J)H*H*H*H*H)K$}+4 ~%0 K)H+G+F-F,G*>~%0 +)='-%?'J(J(J(K'K','?%+*G,E-E,G+G*I(}(4 'J*H+G+=*$.;7:7;-~%0 *;,*%~;0 -E-E-E-E-F-'(~;0 7~;0 6~;0 7=(~%0 ,G+G*I(})4 ~%0 K(G%$)=*~%0 ,;-$,;7:8:/%);.C/C/C/C/D.D/'';8:8;7~;0 +~%0 +>(%%$*H)I'}V4 ~%0 @()(=,')~;0 -%*;7;/%):0B/C/C/C/C/C/C/C0~%0 (;/$*;.%*~;0 ,')=*~%0 $$)J'}F5 )H+*%=-)~%0 ~;0 -D/C/C/C/C/C/C/C/C/C/C/D-*$>+*%?*J%}S5 (I*G,F-D.D.D.D.D.D.D.D.D.D.D.E,F,G*K%}S5 ''~%0 C)~%0 'A+%'A1@3?-$(?-$(?-$(?-$(?-$(?-$(?-$(?-$(?3?3@+$(B*%'C(~%0 'L%}(5 ~%0 K(B(%*A)$*@*$*@3>4>4>,$*>,$*>,$*>,$*>,$*>4>4?2@*$*A(%*B~%0 '(J(L$}U4 (J)H+A'%+A($,?)$,?3?4>*$,>*$,=+$,>*$,>4>3?)$,?)$,@($,A~%0 %+G+H)J'})4 ~%0 K)H+F,F-A%%-@~%0 %.?'$.?'$.?'%-?'%-?'%-?'%-?'$.?'$.?'$.@%%-E-E-F+G*I(})4 ~%0 J*G,F,F-E-D/C/D.D.D.D.D.D.D.C/C/D-E-E,G*I(})4 %K)H,F,E.D.D/C/C/C/C/C/C/C/C/C/C.D.E-E,G*I'}T4 )H+G,E.D.D.D/C/C/C/C/C/C/C/C.D.D.D-F,G*J~%0 }U4 'J)H+F-E.D.D.D.D.D.D.D.D.D.D.D.D-F,F+I(}R5 'J)H+F-E-E-E.D.D.D.D.D.D.D-E-F,F+H)}P6 'J)H+G+G+G,F,F,F,F,F,F,F+G+H)J'}{7 ~%0 K(J)I)I)I)I*H)I)I)I)J'}/M~%0  </jvxlEdgeData>
<jvxlColorData count="4776" encoding="base90f2" min="-1.0" max="1.0" data="#~849 |~40 #~4 |~7 #~8 |~6 #~6 |~6 #~5 |~4 ####|||#~14 |~5 #~4 |~6 ####|~5 ###|~4 #|#~5 |~6 #|#~9 |~8 #~5 |~77 ##|~4 #~4 |~4 #~6 |~4 #~8 |~8 #~5 |~7 #~4 |~7 #~4 |~5 #~4 |~4 #~5 |||#~9 |~5 ###|~4 #|~97 ##|~4 ####||||####||||####||||####||||##|~557 #~9 |~6 #~7 |~8 #~8 |~7 #~6 |~6 #~6 |~6 ###|~47 #~7 |~5 #~8 |~6 #~6 |~6 #~6 |~8 #~5 |~7 ###||||#~26 |||####||||####|~4 #~5 |~5 #~7 |~5 ###|~36 #~9 |~5 #~6 |~5 #~4 |~4 ####||||#~4 ||#~445 |~5 #~13 |##|#~103 ||#~17 |~4 #~11 ||#~24 ||||#~14 |#~106 |#~8 ||#~43 |#~227 |~5 ##|~7 #~8 |~5 #~5 |~7 ####|~6 ###|~5 #|~7 ###|~6 ###|~6 ###|~6 ###|~6 ###|~6 ###|~6 ###|~6 ###|~6 #|~5 ##|~6 ####|~5 #~4 |~5 #~4 |||####|~15 #~6 |~6 #~5 ||||#~4 |###|||##|||#|~4 ###||||###||||###||||###||||###||||#|||#||###|||#|###|~4 #~4 |~4 ####|~5 #~8 |~30 ###|||#~6 |~4 #~5 |||####||####|###||||##|~4 ####||||####||||#~4 ||||####|||##||##|#|###||||#~4 ||||#~4 |||#~8 |~36 ###|||#~4 |||#~7 |~4 #~5 |||####||####||||#~4 |||#~5 |||#~4 |||#~4 |||####|||####||||#~5 ||||#~5 ||||#~5 |~51 ##|||####|||####||####|||####|||####|||####|||####||####||||####|||###||||##|~599 '~849 x~40 '~4 x~7 '~8 x~6 '~6 x~6 '~5 x~4 ''''xxx'~14 x~5 '~4 x~6 ''''x~5 '''x~4 'x'~5 x~6 'x'~9 x~8 '~5 x~77 ''x~4 '~4 x~4 '~6 x~4 '~8 x~8 '~5 x~7 '~4 x~7 '~4 x~5 '~4 x~4 '~5 xxx'~9 x~5 '''x~4 'x~97 ''x~4 ''''xxxx''''xxxx''''xxxx''''xxxx''x~557 '~9 x~6 '~7 x~8 '~8 x~7 '~6 x~6 '~6 x~6 '''x~47 '~7 x~5 '~8 x~6 '~6 x~6 '~6 x~8 '~5 x~7 '''xxxx'~26 xxx''''xxxx''''x~4 '~5 x~5 '~7 x~5 '''x~36 '~9 x~5 '~6 x~5 '~4 x~4 ''''xxxx'~4 xx'~445 x~5 '~13 x''x'~103 xx'~17 x~4 '~11 xx'~24 xxxx'~14 x'~106 x'~8 xx'~43 x'~227 x~5 ''x~7 '~8 x~5 '~5 x~7 ''''x~6 '''x~5 'x~7 '''x~6 '''x~6 '''x~6 '''x~6 '''x~6 '''x~6 '''x~6 '''x~6 'x~5 ''x~6 ''''x~5 '~4 x~5 '~4 xxx''''x~15 '~6 x~6 '~5 xxxx'~4 x'''xxx''xxx'x~4 '''xxxx'''xxxx'''xxxx'''xxxx'''xxxx'xxx'xx'''xxx'x'''x~4 '~4 x~4 ''''x~5 '~8 x~30 '''xxx'~6 x~4 '~5 xxx''''xx''''x'''xxxx''x~4 ''''xxxx''''xxxx'~4 xxxx''''xxx''xx''x'x'''xxxx'~4 xxxx'~4 xxx'~8 x~36 '''xxx'~4 xxx'~7 x~4 '~5 xxx''''xx''''xxxx'~4 xxx'~5 xxx'~4 xxx'~4 xxx''''xxx''''xxxx'~5 xxxx'~5 xxxx'~5 x~51 ''xxx''''xxx''''xx''''xxx''''xxx''''xxx''''xxx''''xx''''xxxx''''xxx'''xxxx''x~599 "></jvxlColorData>
<jvxlExcludedTriangleData bsEncoding="base90+35" count="258" len="7944"> -}t5 (8'%%9'%%4~%0 '%1%%~%0 ,~%0 %%S~%0 $%0(1~%0 3'%%;'$%>(}F$ %%%%~%0 ,%%%$%0%%%$%7'A~%0 $%7'7'9'5~%0 $%0~%0 7($%2*2(}|$ *-~%0 $%/'1'1'1~%0 $%.*}sC $$~%0 A~%0 }h~%0  $%%6~%0 }n* %%%2%/~%0 %$}U$ '/%/~%0 $$}!$ $%%5$+~%0 %$e'+%*$-$-$$~%0 }u$ $%~%0 -%+$-$-~%0 %$!%%$1$,'}7% $%~%0 -%.%$%`%~%0 %-%-'</jvxlExcludedTriangleData>
</jvxlSurfaceData>
</jvxlSurface>
</jvxlSurfaceSet>
</jvxl>
