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                  <bond atomRefs2="a63 a18" order="S"/>
                  <bond atomRefs2="a87 a18" order="S"/>
                  <bond atomRefs2="a29 a19" order="S"/>
                  <bond atomRefs2="a31 a19" order="S"/>
                  <bond atomRefs2="a42 a19" order="S"/>
                  <bond atomRefs2="a66 a19" order="S"/>
                  <bond atomRefs2="a78 a19" order="S"/>
                  <bond atomRefs2="a86 a19" order="S"/>
                  <bond atomRefs2="a43 a20" order="S"/>
                  <bond atomRefs2="a49 a20" order="S"/>
                  <bond atomRefs2="a67 a20" order="S"/>
                  <bond atomRefs2="a79 a20" order="S"/>
                  <bond atomRefs2="a87 a20" order="S"/>
                  <bond atomRefs2="a90 a20" order="S"/>
                  <bond atomRefs2="a30 a21" order="S"/>
                  <bond atomRefs2="a32 a21" order="S"/>
                  <bond atomRefs2="a33 a21" order="S"/>
                  <bond atomRefs2="a60 a21" order="S"/>
                  <bond atomRefs2="a80 a21" order="S"/>
                  <bond atomRefs2="a94 a21" order="S"/>
                  <bond atomRefs2="a25 a22" order="S"/>
                  <bond atomRefs2="a32 a22" order="S"/>
                  <bond atomRefs2="a33 a22" order="S"/>
                  <bond atomRefs2="a61 a22" order="S"/>
                  <bond atomRefs2="a81 a22" order="S"/>
                  <bond atomRefs2="a95 a22" order="S"/>
                  <bond atomRefs2="a29 a23" order="S"/>
                  <bond atomRefs2="a76 a23" order="S"/>
                  <bond atomRefs2="a80 a23" order="S"/>
                  <bond atomRefs2="a82 a23" order="S"/>
                  <bond atomRefs2="a77 a24" order="S"/>
                  <bond atomRefs2="a81 a24" order="S"/>
                  <bond atomRefs2="a83 a24" order="S"/>
                  <bond atomRefs2="a90 a24" order="S"/>
                  <bond atomRefs2="a57 a32" order="S"/>
                  <bond atomRefs2="a75 a33" order="S"/>
                  <bond atomRefs2="a75 a36" order="S"/>
                  <bond atomRefs2="a57 a37" order="S"/>
                  <bond atomRefs2="a59 a57" order="S"/>
                  <bond atomRefs2="a93 a57" order="S"/>
                  <bond atomRefs2="a75 a58" order="S"/>
                  <bond atomRefs2="a92 a75" order="S"/>
               </bondArray>
               <formula concise="Na2O76Si2Tc2W20"/>
               <property dictRef="cml:molmass">
                  <scalar units="nonsi:dalton">5192.565494</scalar>
               </property>
               <formula convention="iupac:inchi"
                        inline="InChI=1/2Na.2O4Si.68O.2Tc.20W/c;;2*1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rNa2O76Si2Tc2W20/c3-83-29-81-31-89(9,35-83)43-85(5)23-1(25-87(7,41-85)47-99(19)55-91(11,27-1,33-81)53-93(13,37-83,61-99)57-95(15,39-83)59-97(17,45-85,51-89)65-101(21,49-87,63-95,67-99)77(95,97)79(71(81)89,73(85)87)75(91,93)99)69(81)82-30-84(4)36-90(10,32-82)44-86(6)24-2(70(81)82)26-88(8,42-86)48-100(20)56-92(12,28-2,34-82)54-94(14,38-84,62-100)58-96(16,40-84)60-98(18,46-86,52-90)66-102(22,50-88,64-96,68-100)78(96,98)80(72(82)90,74(86)88)76(92,94)100">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:57;75;29,76,80,82,23;77,81,83,90,24;25;26;27;28;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55;56;58;59;60;61;62;63;64;65;66;67;68;69;70;71;72;73;74;78;79;84;85;86;87;88;89;91;92;93;94;95;96;97;98;99;100;101;102;21;22;1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20/E:;;2*(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;;2*1.1,2.1,3.1,4.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:102nWWWWWWWWWWWWWWWWWWWWTcTcSiSiOO1O1OO4OO1O3O3OOOOO1O1OOOOOOOOO1O1OOOOO1O1ONa4OOOOO1O1OOOOO1O1OOOOONa4O3O3OOO3O3O4O4O1O1OOOOO4O1OOOOO1O1O1O1OOO/rB:;;;;;;;;;;;;;;;;;;;;;;;s8s22;s4;s1;s2s8;s11s15s19s23;s7s21;s19;s21s22;s21s22;s7s17;s8s18;s1;s2;s9;s10;s5s7;s6s8;s15s19;s16s20;s13s17;s14s18;s5s13;s6s14;s2;s20;s3s5;s4s6;s1s5;s2s6;s13;s14;s2s10;s32s37;s15;s16s57;s17s21;s18s22;s17;s18;s3s11;s4s12;s13s19;s14s20;s11;s12;s3s13;s4s14;s9s11;s10s12;s1s7;s33s36s58;s1s9s23;s2s10s24;s11s19;s12s20;s7s21s23;s8s22s24;s3s5s13s23;s4s6s14s24;s5;s6;s17s19;s18s20;s11s15;s12s16;s12s16s20s24;s3;s9s75;s10s57;s15s21;s16s22;s15;s16;s7;s8;s3s9;s4s10;s1s9;/rC:2.181,2.9727,3.9258;-2.181,-2.9727,-3.9258;.7301,.2165,8.0347;-.7301,-.2165,-8.0347;-.7285,2.8942,6.4609;.7285,-2.8942,-6.4609;-1.4614,2.7307,2.7607;1.4614,-2.7307,-2.7607;3.6299,.3158,5.4774;-3.6299,-.3158,-5.4774;1.5528,-2.8545,6.0085;-1.5528,2.8545,-6.0085;-2.5457,-.0019,6.9734;2.5457,.0019,-6.9734;.9649,-3.0101,2.5596;-.9649,3.0101,-2.5596;-3.33,-.137,3.2554;3.33,.137,-3.2554;-1.6964,-3.1121,4.9612;1.6964,3.1121,-4.9612;-.7248,-.0538,1.0492;.7248,.0538,-1.0492;.1892,.0506,4.4908;-.1892,-.0506,-4.4908;1.2359,-1.9159,-1.0918;-1.3065,-.0623,-9.7119;2.604,4.7019,4.0582;-.4367,-3.0826,-3.0217;.2677,-1.6121,4.4992;-1.2359,1.9159,1.0918;-2.8929,-4.3697,5.3276;-1.1647,-.4425,-.7612;1.1647,.4425,.7612;-3.2101,1.8015,2.9801;3.2101,-1.8015,-2.9801;3.1029,2.5022,2.4536;-3.1029,-2.5022,-2.4536;4.9831,.2839,6.6407;-4.9831,-.2839,-6.6407;-1.5942,2.9787,4.7554;1.5942,-2.9787,-4.7554;-.8024,-3.8506,3.4936;.8024,3.8506,-3.4936;-3.2662,.266,5.1912;3.2662,-.266,-5.1912;-2.3816,1.9193,7.15;2.3816,-1.9193,-7.15;-2.604,-4.7019,-4.0582;2.8929,4.3697,-5.3276;.1421,2.0903,8.0664;-.1421,-2.0903,-8.0664;.9254,3.1604,5.6694;-.9254,-3.1604,-5.6694;-4.0313,-.2778,7.9089;4.0313,.2778,-7.9089;-3.5089,-2.2613,-5.2104;-2.9531,-.1387,-2.1486;2.499,-2.1247,2.2632;-2.499,2.1247,-2.2632;-2.7008,-.4612,1.5282;2.7008,.4612,-1.5282;-5.071,-.3925,3.0458;5.071,.3925,-3.0458;.8992,-1.6134,7.4019;-.8992,1.6134,-7.4019;-2.1248,-1.8017,6.3844;2.1248,1.8017,-6.3844;2.4573,-3.9875,7.0357;-2.4573,3.9875,-7.0357;-1.2188,-.2144,8.3756;1.2188,.2144,-8.3756;2.9234,-1.5225,5.6566;-2.9234,1.5225,-5.6566;.4367,3.0826,3.0217;2.9531,.1387,2.1486;1.6839,.717,4.2359;-1.6839,-.717,-4.2359;-.2313,-3.695,6.1414;.2313,3.695,-6.1414;-.8617,.485,3.2581;.8617,-.485,-3.2581;-.4269,.5816,5.9507;.4269,-.5816,-5.9507;-1.1124,4.4937,7.1457;1.1124,-4.4937,-7.1457;-2.7367,-1.925,3.8164;2.7367,1.925,-3.8164;1.7838,-3.7265,4.3247;-1.7838,3.7265,-4.3247;-.2677,1.6121,-4.4992;1.3065,.0623,9.7119;4.4974,-.0285,3.936;-4.4974,.0285,-3.936;-.1988,-1.9309,1.5654;.1988,1.9309,-1.5654;1.1554,-4.4729,1.5587;-1.1554,4.4729,-1.5587;-2.05,4.3289,2.2675;2.05,-4.3289,-2.2675;2.2725,.6531,7.1015;-2.2725,-.6531,-7.1015;3.5089,2.2613,5.2104;/R:/0/N:57,75,63,62,48,27,39,38,99,98,97,96,49,31,55,54,85,84,69,68,26,91,37,36,93,92,59,58,61,60,25,30,95,94,35,34,87,86,45,44,56,102,28,74,53,52,73,72,101,100,41,40,43,42,89,88,67,66,47,46,79,78,71,70,51,50,65,64,32,33,81,80,77,76,90,29,83,82,24,23,22,21,18,17,2,1,10,9,8,7,16,15,20,19,14,13,6,5,12,11,4,3/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)(33,34)(35,36)(37,38)(39,40)(41,42)(43,44)(45,46)(47,48)(49,50)(51,52)(53,54)(55,56)(57,58)(59,60)(61,62)(63,64)(65,66)(67,68)(69,70)(71,72)(73,74)(75,76)(77,78)(79,80)(81,82)(83,84)(85,86)(87,88)(89,90)(91,92)(93,94)(95,96)(97,98)(99,100)(101,102)/CRV:1.4,2.4,3.1,4.1,5.1,6.1,7.1,8.1,9.1,10.1,11.1,12.1,13.1,14.1,15.1,16.1,17.1,18.1,19.1,20.1,21.1,22.1,69.3,70.3,71.3,72.3,73.3,74.3,75.4,76.4,77.4,78.4,81.6,82.6</scalar>
               </formula>
            </molecule>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="parameters2">
                  <list cmlx:templateRef="scf"/>
                  <list cmlx:templateRef="spin">
                     <scalar dataType="xsd:string" dictRef="cc:spinMolecule">Unrestricted</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:spinFragments">Restricted</scalar>
                  </list>
               </module>
               <module cmlx:templateRef="solvation" dictRef="cc:userDefinedModule">
                  <list id="cosmo">
                     <scalar dataType="xsd:double" dictRef="a:gdsf">0.00000</scalar>
                     <scalar dataType="xsd:double" dictRef="a:ccnv">1.0E-08</scalar>
                     <scalar dataType="xsd:double" dictRef="a:ncix">1000</scalar>
                     <scalar dataType="xsd:string" dictRef="a:cosmomethod">conjugate-gradient</scalar>
                     <scalar dataType="xsd:double" dictRef="a:epsl">78.39000</scalar>
                     <scalar dataType="xsd:double" dictRef="a:rsol" units="nonsi:angstrom">1.93000</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:nfdiv">1</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:ndiv">3</scalar>
                     <scalar dataType="xsd:double" dictRef="a:cosmoArea">3162.21918609</scalar>
                     <scalar dataType="xsd:double" dictRef="a:cosmoVolume">10174.16057423</scalar>
                     <scalar dataType="xsd:double" dictRef="a:solvent" units="nonsi:angstrom">Water</scalar>
                  </list>
               </module>
               <module cmlx:templateRef="parameters">
                  <scalar dictRef="cc:method" id="method">DFT</scalar>
                  <list cmlx:templateRef="scf" endLine="3276" startLine="3274">
                     <scalar dataType="xsd:string" dictRef="cc:functional">PW92                                    == Not Default ==</scalar>
                  </list>
                  <list cmlx:templateRef="spin" endLine="3280" startLine="3278">
                     <scalar dataType="xsd:string" dictRef="cc:spinMolecule">UNrestricted</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:spinFragments">Restricted</scalar>
                  </list>
                  <list cmlx:templateRef="other" endLine="3289" startLine="3282">
                     <scalar dataType="xsd:string" dictRef="a:densityMode">Point Charge Nuclei</scalar>
                     <scalar dataType="xsd:string" dictRef="a:coretreat">Frozen Orbital(s)</scalar>
                  </list>
               </module>
            </module>
            <module cmlx:templateRef="input.file" dictRef="cc:inputFile">
               <scalar dataType="xsd:string" dictRef="cc:inputLine">Task GeometryOptimization</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">System</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">    Atoms</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W 2.195879361188362 2.962545183295938 3.876428008329474 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W -2.195879361188362 -2.962545183295938 -3.876428008329474 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W 0.7238484026128309 0.2180513407077035 7.98790114620988 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W -0.7238484026128309 -0.2180513407077035 -7.98790114620988 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W -0.723838602719559 2.892413791766868 6.400529754774865 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W 0.723838602719559 -2.892413791766868 -6.400529754774865 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W -1.443978645603298 2.71646168628481 2.698146912660714 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W 1.443978645603298 -2.71646168628481 -2.698146912660714 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W 3.637768075882184 0.3136816421481571 5.447130619589005 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W -3.637768075882184 -0.3136816421481571 -5.447130619589005 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W 1.555791626576771 -2.854618482123157 5.9690571902243 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W -1.555791626576771 2.854618482123157 -5.9690571902243 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W -2.546382720675883 -0.0002094470242008078 6.909139149909326 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W 2.546382720675883 0.0002094470242008078 -6.909139149909326 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W 0.9791763123900099 -3.013105096644503 2.518756870639477 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W -0.9791763123900099 3.013105096644503 -2.518756870639477 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W -3.309160163927788 -0.1470797525546973 3.18471759754434 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W 3.309160163927788 0.1470797525546973 -3.18471759754434 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W -1.690114625317642 -3.116632266267132 4.911646096113325 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W 1.690114625317642 3.116632266267132 -4.911646096113325 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        Tc -0.6739516290010765 -0.05628331592165509 0.9880270960960181 adf.R=1.967</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        Tc 0.6739516290010779 0.05628331592165509 -0.9880270960960155 adf.R=1.967</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        Si 0.204254101278652 0.04826734595232082 4.441570415594343 adf.R=2.48</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        Si -0.204254101278652 -0.04826734595232082 -4.441570415594343 adf.R=2.48</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 1.229467255106217 -1.894800523131394 -1.025864101549492 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -1.290432833876183 -0.06666659404101989 -9.669035352040645 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 2.609227381638433 4.694469324361895 4.010219543566533 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -0.4554606579385692 -3.063279558867795 -2.961550367674119 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 0.2798481884530056 -1.614766427263252 4.454468716738924 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -1.229467255106217 1.894800523131394 1.025864101549492 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -2.886962185130146 -4.374566763143251 5.276297271255646 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -1.188911676682812 -0.4802558016839387 -0.8178559253411832 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 1.188911676682812 0.4802558016839387 0.8178559253411832 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -3.191608833368823 1.79273672138581 2.910773788340032 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 3.191608833368823 -1.79273672138581 -2.910773788340032 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 3.13719351291679 2.49669883234679 2.416305427902016 adf.R=1.72</scalar>
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               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 4.981948392317522 0.2853834308857726 6.621437739010788 adf.R=1.72</scalar>
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               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -1.582007886546554 2.971993908419033 4.690725789209588 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 1.582007886546554 -2.971993908419033 -4.690725789209588 adf.R=1.72</scalar>
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               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 2.886962185130146 4.374566763143251 -5.276297271255646 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 0.1369372561934339 2.092443970334832 8.013917224217332 adf.R=1.72</scalar>
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               <scalar dataType="xsd:string" dictRef="cc:inputLine">    End</scalar>
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               <scalar dataType="xsd:string" dictRef="cc:inputLine">    BondOrders</scalar>
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               <scalar dataType="xsd:string" dictRef="cc:inputLine">         37 57 1.0</scalar>
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               <scalar dataType="xsd:string" dictRef="cc:inputLine">         75 92 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">    End</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">End</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">Engine ADF</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">    Basis</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        Type TZP</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">    End</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">    SpinPolarization 2.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">    XC</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        GGA PBE</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">    End</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">    Unrestricted Yes</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">    Solvation</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        Surf Delley</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        Solv name=Water cav0=0.0 cav1=0.0067639</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        Charged method=CONJ</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        C-Mat POT</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        SCF VAR ALL </scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        CSMRSP</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">    End</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">EndEngine</scalar>
            </module>
         </module>
         <module dictRef="cc:calculation" id="calculation">
            <module cmlx:templateRef="adf">
               <module cmlx:templateRef="adf.runtype">
                  <module cmlx:templateRef="symmetry">
                     <scalar dataType="xsd:string" dictRef="a:symmetry">C(I)</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:charge">-14</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:spinPolarization">2</scalar>
                  </module>
               </module>
               <module cmlx:templateRef="scf">
                  <scalar dataType="xsd:string" dictRef="cc:scfConverged">SCF CONVERGED</scalar>
               </module>
            </module>
         </module>
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                  <bond atomRefs2="a75 a58" order="S"/>
                  <bond atomRefs2="a92 a75" order="S"/>
               </bondArray>
               <formula concise="Na2O76Si2Tc2W20"/>
               <property dictRef="cml:molmass">
                  <scalar units="nonsi:dalton">5192.565494</scalar>
               </property>
               <formula convention="iupac:inchi"
                        inline="InChI=1/2Na.2O4Si.68O.2Tc.20W/c;;2*1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rNa2O76Si2Tc2W20/c3-83-29-81-31-89(9,35-83)43-85(5)23-1(25-87(7,41-85)47-99(19)55-91(11,27-1,33-81)53-93(13,37-83,61-99)57-95(15,39-83)59-97(17,45-85,51-89)65-101(21,49-87,63-95,67-99)77(95,97)79(71(81)89,73(85)87)75(91,93)99)69(81)82-30-84(4)36-90(10,32-82)44-86(6)24-2(70(81)82)26-88(8,42-86)48-100(20)56-92(12,28-2,34-82)54-94(14,38-84,62-100)58-96(16,40-84)60-98(18,46-86,52-90)66-102(22,50-88,64-96,68-100)78(96,98)80(72(82)90,74(86)88)76(92,94)100">
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               </formula>
            </molecule>
            <propertyList>
               <property dataType="xsd:double" dictRef="cc:cputime">
                  <scalar>3003.27169200</scalar>
               </property>
               <property dataType="xsd:double" dictRef="cc:systemtime">
                  <scalar>108.73079500</scalar>
               </property>
               <property dataType="xsd:double" dictRef="cc:elapsedtime">
                  <scalar>3399.76591587</scalar>
               </property>
            </propertyList>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="atomic.charges" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="multipole">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="102">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102</array>
                     <array dataType="xsd:string" dictRef="cc:elementType" size="102">W W W W W W W W W W W W W W W W W W W W Tc Tc Si Si O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O Na O O O O O O O O O O O O O O O O O Na O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     <array dataType="xsd:double" dictRef="a:mdcm" size="102">2.45486422 2.45486420 2.45771805 2.45771805 2.45668398 2.45668396 2.45960388 2.45960388 2.45584945 2.45584946 2.47536283 2.47536283 2.46768415 2.46768415 2.42318187 2.42318188 2.45281109 2.45281107 2.46008566 2.46008565 2.26005735 2.26005735 1.74904384 1.74904384 -0.95023768 -0.89856130 -0.90192440 -0.97171095 -1.05767080 -0.95023768 -0.88112244 -0.95928212 -0.95928211 -0.97710655 -0.97710655 -0.86049484 -0.86049485 -0.90136759 -0.90136758 -0.97436539 -0.97436539 -0.97058197 -0.97058197 -0.97650465 -0.97650465 -0.98384197 -0.98384197 -0.90192440 -0.88112244 -0.98392941 -0.98392941 -0.95772663 -0.95772663 -0.89032513 -0.89032513 -0.97667348 0.57334771 -0.84953866 -0.84953866 -0.98192213 -0.98192213 -0.87418002 -0.87418002 -0.97519387 -0.97519387 -0.97715236 -0.97715235 -0.87618637 -0.87618637 -0.98361119 -0.98361119 -0.97409591 -0.97409590 -0.97171095 0.57334771 -1.01056060 -1.01056059 -0.97348911 -0.97348911 -1.08548897 -1.08548897 -1.05908373 -1.05908373 -0.90291233 -0.90291234 -0.97537077 -0.97537076 -0.97211421 -0.97211421 -1.05767080 -0.89856131 -0.86624528 -0.86624528 -1.01335281 -1.01335281 -0.89996895 -0.89996896 -0.86468404 -0.86468404 -0.95771545 -0.95771545 -0.97667348</array>
                     <array dataType="xsd:double" dictRef="a:mdcd" size="102">1.89203165 1.89203164 1.88591925 1.88591926 1.88541501 1.88541499 1.88104987 1.88104986 1.89786181 1.89786182 1.89807785 1.89807785 1.89125069 1.89125069 1.88038568 1.88038569 1.88249635 1.88249633 1.88977206 1.88977205 1.57060335 1.57060335 1.35467045 1.35467045 -0.70662883 -0.82084166 -0.83498730 -0.71419265 -0.73987418 -0.70662884 -0.80357615 -0.64603002 -0.64603001 -0.81803701 -0.81803701 -0.76408169 -0.76408170 -0.83300215 -0.83300215 -0.73759668 -0.73759668 -0.82456774 -0.82456774 -0.72781492 -0.72781492 -0.82923924 -0.82923924 -0.83498730 -0.80357615 -0.82048512 -0.82048512 -0.74008286 -0.74008286 -0.81436544 -0.81436543 -0.80628216 0.49194929 -0.71518582 -0.71518582 -0.77191200 -0.77191200 -0.79175448 -0.79175448 -0.72626176 -0.72626175 -0.72809098 -0.72809097 -0.80041055 -0.80041055 -0.82758029 -0.82758028 -0.71806129 -0.71806129 -0.71419265 0.49194929 -0.71017840 -0.71017839 -0.80984084 -0.80984084 -0.76899799 -0.76899798 -0.72437628 -0.72437628 -0.82592667 -0.82592668 -0.73451603 -0.73451603 -0.82166057 -0.82166057 -0.73987417 -0.82084166 -0.76813362 -0.76813361 -0.73949385 -0.73949385 -0.82216346 -0.82216347 -0.78141507 -0.78141507 -0.73383756 -0.73383756 -0.80628216</array>
                     <array dataType="xsd:double" dictRef="a:mdcq" size="102">1.97906198 1.97906196 1.99070377 1.99070378 1.98834190 1.98834188 1.98141412 1.98141412 1.99261349 1.99261350 2.00858700 2.00858700 2.00321445 2.00321445 1.95934124 1.95934125 1.98829031 1.98829029 1.99512889 1.99512888 1.63666205 1.63666205 1.32209206 1.32209206 -0.73820615 -0.78507050 -0.81000439 -0.81419394 -0.80943885 -0.73820615 -0.76903663 -0.66698150 -0.66698150 -0.85856383 -0.85856383 -0.79109804 -0.79109805 -0.81475872 -0.81475871 -0.81640938 -0.81640938 -0.85957365 -0.85957365 -0.81426432 -0.81426432 -0.86229414 -0.86229415 -0.81000439 -0.76903663 -0.86048584 -0.86048585 -0.80272750 -0.80272750 -0.77987204 -0.77987204 -0.84594655 0.61387860 -0.76366183 -0.76366183 -0.79052438 -0.79052439 -0.76007762 -0.76007761 -0.80430955 -0.80430955 -0.80922127 -0.80922126 -0.76618344 -0.76618344 -0.85896917 -0.85896916 -0.81666125 -0.81666124 -0.81419394 0.61387859 -0.76357032 -0.76357031 -0.83763937 -0.83763937 -0.81283306 -0.81283306 -0.78077740 -0.78077740 -0.78826417 -0.78826418 -0.82405242 -0.82405243 -0.86657342 -0.86657342 -0.80943884 -0.78507050 -0.77390261 -0.77390261 -0.80251244 -0.80251244 -0.79136009 -0.79136010 -0.75218397 -0.75218397 -0.79712610 -0.79712610 -0.84594655</array>
                  </list>
               </module>
               <module cmlx:templateRef="atomic.charges.spin" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="spin">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="102">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102</array>
                     <array dataType="xsd:string" dictRef="cc:elementType" size="102">W W W W W W W W W W W W W W W W W W W W Tc Tc Si Si O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O Na O O O O O O O O O O O O O O O O O Na O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     <array dataType="xsd:double" dictRef="a:mdcm" size="102">2.454864 2.454864 2.457718 2.457718 2.456684 2.456684 2.459604 2.459604 2.455849 2.455849 2.475363 2.475363 2.467684 2.467684 2.423182 2.423182 2.452811 2.452811 2.460086 2.460086 2.260057 2.260057 1.749044 1.749044 -0.950238 -0.898561 -0.901924 -0.971711 -1.057671 -0.950238 -0.881122 -0.959282 -0.959282 -0.977107 -0.977107 -0.860495 -0.860495 -0.901368 -0.901368 -0.974365 -0.974365 -0.970582 -0.970582 -0.976505 -0.976505 -0.983842 -0.983842 -0.901924 -0.881122 -0.983929 -0.983929 -0.957727 -0.957727 -0.890325 -0.890325 -0.976673 0.573348 -0.849539 -0.849539 -0.981922 -0.981922 -0.874180 -0.874180 -0.975194 -0.975194 -0.977152 -0.977152 -0.876186 -0.876186 -0.983611 -0.983611 -0.974096 -0.974096 -0.971711 0.573348 -1.010561 -1.010561 -0.973489 -0.973489 -1.085489 -1.085489 -1.059084 -1.059084 -0.902912 -0.902912 -0.975371 -0.975371 -0.972114 -0.972114 -1.057671 -0.898561 -0.866245 -0.866245 -1.013353 -1.013353 -0.899969 -0.899969 -0.864684 -0.864684 -0.957715 -0.957715 -0.976673</array>
                     <array dataType="xsd:double" dictRef="a:mdcd" size="102">1.892032 1.892032 1.885919 1.885919 1.885415 1.885415 1.881050 1.881050 1.897862 1.897862 1.898078 1.898078 1.891251 1.891251 1.880386 1.880386 1.882496 1.882496 1.889772 1.889772 1.570603 1.570603 1.354670 1.354670 -0.706629 -0.820842 -0.834987 -0.714193 -0.739874 -0.706629 -0.803576 -0.646030 -0.646030 -0.818037 -0.818037 -0.764082 -0.764082 -0.833002 -0.833002 -0.737597 -0.737597 -0.824568 -0.824568 -0.727815 -0.727815 -0.829239 -0.829239 -0.834987 -0.803576 -0.820485 -0.820485 -0.740083 -0.740083 -0.814365 -0.814365 -0.806282 0.491949 -0.715186 -0.715186 -0.771912 -0.771912 -0.791754 -0.791754 -0.726262 -0.726262 -0.728091 -0.728091 -0.800411 -0.800411 -0.827580 -0.827580 -0.718061 -0.718061 -0.714193 0.491949 -0.710178 -0.710178 -0.809841 -0.809841 -0.768998 -0.768998 -0.724376 -0.724376 -0.825927 -0.825927 -0.734516 -0.734516 -0.821661 -0.821661 -0.739874 -0.820842 -0.768134 -0.768134 -0.739494 -0.739494 -0.822163 -0.822163 -0.781415 -0.781415 -0.733838 -0.733838 -0.806282</array>
                     <array dataType="xsd:double" dictRef="a:mdcq" size="102">1.979062 1.979062 1.990704 1.990704 1.988342 1.988342 1.981414 1.981414 1.992613 1.992614 2.008587 2.008587 2.003214 2.003214 1.959341 1.959341 1.988290 1.988290 1.995129 1.995129 1.636662 1.636662 1.322092 1.322092 -0.738206 -0.785071 -0.810004 -0.814194 -0.809439 -0.738206 -0.769037 -0.666982 -0.666981 -0.858564 -0.858564 -0.791098 -0.791098 -0.814759 -0.814759 -0.816409 -0.816409 -0.859574 -0.859574 -0.814264 -0.814264 -0.862294 -0.862294 -0.810004 -0.769037 -0.860486 -0.860486 -0.802728 -0.802728 -0.779872 -0.779872 -0.845947 0.613879 -0.763662 -0.763662 -0.790524 -0.790524 -0.760078 -0.760078 -0.804310 -0.804310 -0.809221 -0.809221 -0.766183 -0.766183 -0.858969 -0.858969 -0.816661 -0.816661 -0.814194 0.613879 -0.763570 -0.763570 -0.837639 -0.837639 -0.812833 -0.812833 -0.780777 -0.780777 -0.788264 -0.788264 -0.824052 -0.824052 -0.866573 -0.866573 -0.809439 -0.785071 -0.773903 -0.773903 -0.802512 -0.802512 -0.791360 -0.791360 -0.752184 -0.752184 -0.797126 -0.797126 -0.845947</array>
                  </list>
               </module>
               <module cmlx:templateRef="spin.density" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="spinDensity">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="102">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102</array>
                     <array dataType="xsd:string" dictRef="cc:elementType" size="102">W W W W W W W W W W W W W W W W W W W W Tc Tc Si Si O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O Na O O O O O O O O O O O O O O O O O Na O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     <array dataType="xsd:double" dictRef="a:mdcm" size="102">0.000264 0.000264 0.000277 0.000277 0.000087 0.000087 0.013752 0.013752 0.000047 0.000047 0.001044 0.001044 0.000026 0.000026 0.016198 0.016198 0.003482 0.003482 0.001969 0.001969 0.646902 0.646902 0.000279 0.000279 0.052240 -0.000053 -0.000064 0.000744 0.001123 0.052240 0.000051 0.129886 0.129886 0.008284 0.008284 0.000279 0.000279 0.000002 0.000002 -0.000304 -0.000304 0.000151 0.000151 0.000531 0.000531 -0.000053 -0.000053 -0.000064 0.000051 0.000053 0.000053 0.000020 0.000020 0.000004 0.000004 0.000032 0.000973 0.003725 0.003725 0.013767 0.013767 -0.001081 -0.001081 0.000049 0.000049 0.000742 0.000742 0.001281 0.001281 -0.000044 -0.000044 -0.000011 -0.000011 0.000744 0.000973 -0.000028 -0.000028 0.000278 0.000278 0.007366 0.007366 -0.000139 -0.000139 0.000140 0.000140 0.000799 0.000799 0.005080 0.005080 0.001123 -0.000053 0.000010 0.000010 0.066461 0.066461 0.012946 0.012946 0.010371 0.010371 0.000059 0.000059 0.000032</array>
                     <array dataType="xsd:double" dictRef="a:mdcd" size="102">0.000605 0.000605 0.000216 0.000216 -0.000021 -0.000021 0.014895 0.014895 0.000048 0.000048 0.000917 0.000917 0.000031 0.000031 0.016891 0.016891 0.006230 0.006230 0.001985 0.001985 0.519639 0.519639 0.001859 0.001859 0.069680 -0.000042 -0.000018 0.003322 0.002603 0.069680 0.000186 0.156586 0.156586 0.009885 0.009885 0.001590 0.001590 -0.000001 -0.000001 -0.000127 -0.000127 0.001355 0.001355 0.000625 0.000625 -0.000072 -0.000072 -0.000018 0.000186 0.000058 0.000058 -0.000011 -0.000011 0.000018 0.000018 0.000022 0.005922 0.006390 0.006390 0.034071 0.034071 -0.000708 -0.000708 -0.000016 -0.000016 0.000719 0.000719 0.001427 0.001427 -0.000024 -0.000024 0.000044 0.000044 0.003322 0.005922 0.001254 0.001254 0.000341 0.000341 0.023378 0.023378 -0.000323 -0.000323 0.000125 0.000125 0.002766 0.002766 0.004623 0.004623 0.002603 -0.000042 0.000080 0.000080 0.084569 0.084569 0.014718 0.014718 0.011645 0.011645 0.000047 0.000047 0.000022</array>
                     <array dataType="xsd:double" dictRef="a:mdcq" size="102">0.000764 0.000764 0.000223 0.000223 -0.000022 -0.000022 0.014193 0.014193 -0.000024 -0.000024 0.000875 0.000875 -0.000044 -0.000044 0.016220 0.016220 0.004489 0.004489 0.001959 0.001959 0.520461 0.520461 0.000936 0.000936 0.072014 -0.000056 0.000040 0.004963 0.002271 0.072014 0.000165 0.159506 0.159506 0.008313 0.008313 0.002188 0.002188 -0.000020 -0.000020 -0.000382 -0.000382 0.001604 0.001604 0.000276 0.000276 -0.000079 -0.000079 0.000040 0.000165 0.000084 0.000084 -0.000016 -0.000016 -0.000022 -0.000022 -0.000043 0.003367 0.005466 0.005466 0.032807 0.032807 -0.001273 -0.001273 -0.000047 -0.000047 0.000752 0.000752 0.001387 0.001387 -0.000022 -0.000022 0.000011 0.000011 0.004963 0.003367 0.000487 0.000487 0.000318 0.000318 0.019189 0.019189 -0.000384 -0.000384 0.000124 0.000124 0.002927 0.002927 0.004476 0.004476 0.002271 -0.000056 -0.000174 -0.000174 0.092704 0.092704 0.015199 0.015199 0.011792 0.011792 0.000060 0.000060 -0.000043</array>
                  </list>
               </module>
               <module cmlx:templateRef="bonding.energy">
                  <module cmlx:templateRef="summary">
                     <scalar dataType="xsd:double" dictRef="cc:eener" units="nonsi:electronvolt">-727.080162</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="cc:kinener"
                             units="nonsi:electronvolt">612.759670</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="cc:coulombener"
                             units="nonsi:electronvolt">186.504270</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="cc:xcener"
                             units="nonsi:electronvolt">-783.694676</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="cc:solvener"
                             units="nonsi:electronvolt">-177.346130</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="cc:dispener"
                             units="nonsi:electronvolt">0.000000</scalar>
                     <scalar dataType="xsd:double" dictRef="cc:total" units="nonsi:electronvolt">-888.857027</scalar>
                  </module>
               </module>
               <module cmlx:templateRef="mulliken">
                  <module cmlx:templateRef="charges">
                     <list cmlx:templateRef="row" id="row">
                        <array dataType="xsd:integer" dictRef="cc:serial" size="102">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102</array>
                        <array dataType="xsd:string" dictRef="cc:elementType" size="102">W W W W W W W W W W W W W W W W W W W W Tc Tc Si Si O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O Na O O O O O O O O O O O O O O O O O Na O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                        <array dataType="xsd:double" dictRef="x:charge" size="102">2.34539493 2.34539493 2.38268779 2.38268779 2.38542649 2.38542649 2.35792104 2.35792104 2.35269856 2.35269856 2.40137534 2.40137534 2.39939146 2.39939146 2.35732052 2.35732052 2.34389788 2.34389788 2.38201221 2.38201221 2.11065090 2.11065090 2.45536044 2.45536044 -0.90612216 -0.85565472 -0.85823959 -0.98096492 -1.13105926 -0.90612216 -0.84259979 -0.95477968 -0.95477968 -0.98170673 -0.98170673 -0.87334087 -0.87334087 -0.85794719 -0.85794719 -0.96512725 -0.96512725 -0.96340695 -0.96340695 -0.96590455 -0.96590455 -0.98418397 -0.98418397 -0.85823959 -0.84259979 -0.98970489 -0.98970489 -0.93579554 -0.93579554 -0.84921660 -0.84921660 -0.99373996 0.69373219 -0.88722849 -0.88722849 -0.94540255 -0.94540255 -0.84000746 -0.84000746 -0.96374290 -0.96374290 -0.96317158 -0.96317158 -0.83764215 -0.83764215 -0.98448091 -0.98448091 -0.97620013 -0.97620013 -0.98096492 0.69373219 -1.12313884 -1.12313884 -0.97872220 -0.97872220 -1.13102428 -1.13102428 -1.13838111 -1.13838111 -0.85874798 -0.85874798 -0.96904335 -0.96904335 -0.97727331 -0.97727331 -1.13105926 -0.85565472 -0.88254969 -0.88254969 -0.98519848 -0.98519848 -0.86482055 -0.86482055 -0.83355020 -0.83355020 -0.93804896 -0.93804896 -0.99373996</array>
                        <array dataType="xsd:double" dictRef="a:spinDensity" size="102">0.00048074 0.00048074 0.00030248 0.00030248 0.00019023 0.00019023 0.01492799 0.01492799 0.00004988 0.00004988 0.00077436 0.00077436 -0.00001557 -0.00001557 0.01952882 0.01952882 0.00458487 0.00458487 0.00259990 0.00259990 0.74003233 0.74003233 0.00156076 0.00156076 0.03053714 -0.00006340 -0.00007436 -0.00001228 0.00052064 0.03053714 -0.00003811 0.10241621 0.10241621 0.00851885 0.00851885 0.00008825 0.00008825 0.00000258 0.00000258 -0.00047460 -0.00047460 -0.00040875 -0.00040875 0.00065972 0.00065972 -0.00008723 -0.00008723 -0.00007436 -0.00003811 0.00002670 0.00002670 -0.00001007 -0.00001007 0.00000360 0.00000360 0.00001020 0.00050419 0.00248558 0.00248558 0.00276206 0.00276206 -0.00131104 -0.00131104 0.00003104 0.00003104 0.00061371 0.00061371 0.00122463 0.00122463 -0.00008764 -0.00008764 -0.00003492 -0.00003492 -0.00001228 0.00050419 0.00003265 0.00003265 0.00017923 0.00017923 -0.00334201 -0.00334201 -0.00015439 -0.00015439 0.00014351 0.00014351 0.00015620 0.00015620 0.00464472 0.00464472 0.00052064 -0.00006340 0.00001014 0.00001014 0.04331455 0.04331455 0.01221199 0.01221199 0.00993427 0.00993427 0.00004965 0.00004965 0.00001020</array>
                     </list>
                  </module>
               </module>
               <module cmlx:templateRef="dipole.moment" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:double" dictRef="cc:dipole" size="3">0.00000000 0.00000000 0.00000000</array>
                  <scalar dataType="xsd:double" dictRef="x:dipole">0.000000</scalar>
               </module>
               <module cmlx:templateRef="quadrupole.moment" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:double" dictRef="cc:quadrupole" size="6">648.90775650 -10.91661052 -55.04587093 560.93556147 -31.04932203 -1209.84331797</array>
               </module>
               <module cmlx:templateRef="s2" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="cc:s2">2.00000000</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:s2expected">2.00630679</scalar>
               </module>
               <module cmlx:templateRef="orbital.energies.spin.zora"
                       dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="energies" dictRef="energies">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="4100">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336 337 338 339 340 341 342 343 344 345 346 347 348 349 350 351 352 353 354 355 356 357 358 359 360 361 362 363 364 365 366 367 368 369 370 371 372 373 374 375 376 377 378 379 380 381 382 383 384 385 386 387 388 389 390 391 392 393 394 395 396 397 398 399 400 401 402 403 404 405 406 407 408 409 410 411 412 413 414 415 416 417 418 419 420 421 422 423 424 425 426 427 428 429 430 431 432 433 434 435 436 437 438 439 440 441 442 443 444 445 446 447 448 449 450 451 452 453 454 455 456 457 458 459 460 461 462 463 464 465 466 467 468 469 470 471 472 473 474 475 476 477 478 479 480 481 482 483 484 485 486 487 488 489 490 491 492 493 494 495 496 497 498 499 500 501 502 503 504 505 506 507 508 509 510 511 512 513 514 515 516 517 518 519 520 521 522 523 524 525 526 527 528 529 530 531 532 533 534 535 536 537 538 539 540 541 542 543 544 545 546 547 548 549 550 551 552 553 554 555 556 557 558 559 560 561 562 563 564 565 566 567 568 569 570 571 572 573 574 575 576 577 578 579 580 581 582 583 584 585 586 587 588 589 590 591 592 593 594 595 596 597 598 599 600 601 602 603 604 605 606 607 608 609 610 611 612 613 614 615 616 617 618 619 620 621 622 623 624 625 626 627 628 629 630 631 632 633 634 635 636 637 638 639 640 641 642 643 644 645 646 647 648 649 650 651 652 653 654 655 656 657 658 659 660 661 662 663 664 665 666 667 668 669 670 671 672 673 674 675 676 677 678 679 680 681 682 683 684 685 686 687 688 689 690 691 692 693 694 695 696 697 698 699 700 701 702 703 704 705 706 707 708 709 710 711 712 713 714 715 716 717 718 719 720 721 722 723 724 725 726 727 728 729 730 731 732 733 734 735 736 737 738 739 740 741 742 743 744 745 746 747 748 749 750 751 752 753 754 755 756 757 758 759 760 761 762 763 764 765 766 767 768 769 770 771 772 773 774 775 776 777 778 779 780 781 782 783 784 785 786 787 788 789 790 791 792 793 794 795 796 797 798 799 800 801 802 803 804 805 806 807 808 809 810 811 812 813 814 815 816 817 818 819 820 821 822 823 824 825 826 827 828 829 830 831 832 833 834 835 836 837 838 839 840 841 842 843 844 845 846 847 848 849 850 851 852 853 854 855 856 857 858 859 860 861 862 863 864 865 866 867 868 869 870 871 872 873 874 875 876 877 878 879 880 881 882 883 884 885 886 887 888 889 890 891 892 893 894 895 896 897 898 899 900 901 902 903 904 905 906 907 908 909 910 911 912 913 914 915 916 917 918 919 920 921 922 923 924 925 926 927 928 929 930 931 932 933 934 935 936 937 938 939 940 941 942 943 944 945 946 947 948 949 950 951 952 953 954 955 956 957 958 959 960 961 962 963 964 965 966 967 968 969 970 971 972 973 974 975 976 977 978 979 980 981 982 983 984 985 986 987 988 989 990 991 992 993 994 995 996 997 998 999 1000 1001 1002 1003 1004 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252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336 337 338 339 340 341 342 343 344 345 346 347 348 349 350 351 352 353 354 355 356 357 358 359 360 361 362 363 364 365 366 367 368 369 370 371 372 373 374 375 376 377 378 379 380 381 382 383 384 385 386 387 388 389 390 391 392 393 394 395 396 397 398 399 400 401 402 403 404 405 406 407 408 409 410 411 412 413 414 415 416 417 418 419 420 421 422 423 424 425 426 427 428 429 430 431 432 433 434 435 436 437 438 439 440 441 442 443 444 445 446 447 448 449 450 451 452 453 454 455 456 457 458 459 460 461 462 463 464 465 466 467 468 469 470 471 472 473 474 475 476 477 478 479 480 481 482 483 484 485 486 487 488 489 490 491 492 493 494 495 496 497 498 499 500 501 502 503 504 505 506 507 508 509 510 511 512 513 514 515 516 517 518 519 520 521 522 523 524 525 526 527 528 529 530 531 532 533 534 535 536 537 538 539 540 541 542 543 544 545 546 547 548 549 550 551 552 553 554 555 556 557 558 559 560 561 562 563 564 565 566 567 568 569 570 571 572 573 574 575 576 577 578 579 580 581 582 583 584 585 586 587 588 589 590 591 592 593 594 595 596 597 598 599 600 601 602 603 604 605 606 607 608 609 610 611 612 613 614 615 616 617 618 619 620 621 622 623 624 625 626 627 628 629 630 631 632 633 634 635 636 637 638 639 640 641 642 643 644 645 646 647 648 649 650 651 652 653 654 655 656 657 658 659 660 661 662 663 664 665 666 667 668 669 670 671 672 673 674 675 676 677 678 679 680 681 682 683 684 685 686 687 688 689 690 691 692 693 694 695 696 697 698 699 700 701 702 703 704 705 706 707 708 709 710 711 712 713 714 715 716 717 718 719 720 721 722 723 724 725 726 727 728 729 730 731 732 733 734 735 736 737 738 739 740 741 742 743 744 745 746 747 748 749 750 751 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1001 1002 1003 1004 1005 1006 1007 1008 1009 1010 1011 1012 1013 1014 1015 1016 1017 1018 1019 1020 1021 1022 1023 1024 1025 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336 337 338 339 340 341 342 343 344 345 346 347 348 349 350 351 352 353 354 355 356 357 358 359 360 361 362 363 364 365 366 367 368 369 370 371 372 373 374 375 376 377 378 379 380 381 382 383 384 385 386 387 388 389 390 391 392 393 394 395 396 397 398 399 400 401 402 403 404 405 406 407 408 409 410 411 412 413 414 415 416 417 418 419 420 421 422 423 424 425 426 427 428 429 430 431 432 433 434 435 436 437 438 439 440 441 442 443 444 445 446 447 448 449 450 451 452 453 454 455 456 457 458 459 460 461 462 463 464 465 466 467 468 469 470 471 472 473 474 475 476 477 478 479 480 481 482 483 484 485 486 487 488 489 490 491 492 493 494 495 496 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A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B</array>
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                  <scalar dataType="xsd:string" dictRef="a:converged">GEOMETRY CONVERGED</scalar>
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33.5933 33.5990 33.5991 33.6066 33.7461 33.7475 33.7518 33.7620 33.7816 33.7837 33.7876 33.7888 33.8794 33.8829 33.8846 33.8896 33.9341 33.9371 33.9401 33.9404 33.9435 33.9461 34.0100 34.0191 34.0239 34.0301 34.0971 34.1087 34.1170 34.1255 34.1784 34.1827 34.1942 34.1982 34.1992 34.2049 34.2074 34.2109 34.2628 34.2669 34.2880 34.2979 34.3035 34.3118 34.3540 34.3624 34.3677 34.3709 34.4042 34.4086 34.4456 34.4549 34.4590 34.4634 34.5081 34.5180 34.5277 34.5347 34.5937 34.6027 34.6222 34.6361 34.6595 34.6669 34.6865 34.6947 34.7924 34.7966 34.8150 34.8234 34.8294 34.8482 34.8563 34.8626 34.8758 34.8841 34.9322 34.9414 34.9674 34.9750 34.9965 35.0032 35.0131 35.0203 35.0632 35.0692 35.0856 35.0907 35.1052 35.1090 35.1995 35.2030 35.2093 35.2137 35.2416 35.2469 35.2517 35.2520 35.2586 35.2678 35.2836 35.2898 35.3599 35.3664 35.4019 35.4124 35.4399 35.4399 35.4454 35.4456 35.4497 35.4586 35.4852 35.4930 35.5148 35.5241 35.5341 35.5379 35.6025 35.6157 35.6376 35.6409 35.7403 35.7428 35.7476 35.7533 35.7585 35.7660 35.7973 35.8054 35.8098 35.8174 35.8664 35.8763 35.8963 35.9060 35.9281 35.9306 35.9834 35.9894 35.9952 35.9981 36.0031 36.0037 36.0308 36.0390 36.0834 36.0890 36.1851 36.1879 36.1921 36.1973 36.2161 36.2203 36.2583 36.2608 36.3171 36.3189 36.3261 36.3274 36.3379 36.3453 36.3787 36.3859 36.4106 36.4189 36.4264 36.4335 36.4589 36.4675 36.4995 36.5114 36.5140 36.5246 36.5522 36.5620 36.6097 36.6228 36.6674 36.6805 36.7076 36.7190 36.7743 36.7818 36.7827 36.7934 36.7996 36.8085 36.8334 36.8428 36.8571 36.8687 36.9041 36.9119 36.9647 36.9740 37.0041 37.0092 37.0240 37.0309 37.1306 37.1359 37.1739 37.1838 37.1962 37.2030 37.2152 37.2217 37.3029 37.3106 37.3252 37.3430 37.3504 37.3633 37.3996 37.4059 37.4150 37.4234 37.4745 37.4830 37.4851 37.4865 37.5389 37.5481 37.5683 37.5759 37.6343 37.6414 37.6682 37.6788 37.6795 37.6929 37.7428 37.7530 37.7728 37.7840 37.8335 37.8408 37.8985 37.9062 37.9353 37.9444 37.9683 37.9698 37.9747 37.9777 38.0246 38.0322 38.0473 38.0545 38.0618 38.0761 38.1222 38.1244 38.1273 38.1385 38.1737 38.1793 38.1860 38.1964 38.2564 38.2673 38.2720 38.2829 38.2996 38.3089 38.3281 38.3297 38.3384 38.3464 38.3937 38.3978 38.4081 38.4249 38.5067 38.5194 38.5246 38.5315 38.5322 38.5447 38.5918 38.5980 38.6195 38.6288 38.6419 38.6475 38.6511 38.6600 38.7123 38.7153 38.7176 38.7222 38.7764 38.7920 38.8513 38.8647 38.8924 38.8973 38.9022 38.9031 38.9959 39.0010 39.0096 39.0148 39.1188 39.1264 39.1484 39.1562 39.1616 39.1725 39.2090 39.2157 39.2961 39.3221 39.3255 39.3315 39.3393 39.3427 39.4208 39.4296 39.5114 39.5215 39.5656 39.5947 39.6081 39.6176 39.6885 39.6983 39.7441 39.7534 39.8006 39.8078 39.8524 39.8595 39.8633 39.8726 40.0640 40.0647 40.0735 40.0829 40.1312 40.1393 40.1880 40.2091 40.2896 40.2997 40.3011 40.3091 40.4311 40.4399 40.5148 40.5259 40.5398 40.5449 40.6457 40.6497 40.6505 40.6623 40.7520 40.7616 40.7982 40.8086 40.9086 40.9158 40.9703 41.0027 41.0232 41.0268 41.0336 41.0772 41.1835 41.1881 41.1922 41.1948 41.2024 41.2142 41.2467 41.2594 41.3864 41.4028 41.4259 41.4302 41.4789 41.4919 41.5129 41.5236 41.6191 41.6255 41.6399 41.6466 41.6731 41.6883 41.6912 41.7020 41.7668 41.7861 41.8115 41.8261 41.8283 41.8516 41.9428 41.9640 41.9772 41.9875 42.0110 42.0162 42.0260 42.0314 42.1160 42.1381 42.2570 42.2616 42.3008 42.3132 42.3225 42.3341 42.5721 42.5771 42.6031 42.6072 42.6156 42.6243 42.7038 42.7167 42.7450 42.7519 42.7586 42.7617 42.8462 42.8522 42.9158 42.9189 43.0262 43.0325 43.0433 43.0495 43.1277 43.1335 43.1490 43.1534 43.3542 43.3681 43.3735 43.3842 43.3933 43.4025 43.4083 43.4219 43.5148 43.5208 43.5507 43.5589 43.5979 43.6034 43.7273 43.7301 43.7311 43.7363 43.8016 43.8062 43.8289 43.8327 43.8615 43.8798 44.0621 44.0685 44.0704 44.0748 44.1949 44.2006 44.2693 44.2758 44.3305 44.3369 44.3827 44.3963 44.4220 44.4284 44.5139 44.5157 44.5237 44.5376 44.6143 44.6213 44.6228 44.6264 44.8020 44.8048 44.8168 44.8261 44.9789 44.9850 45.0325 45.0395 45.0437 45.0591 45.1213 45.1260 45.1403 45.1574 45.2192 45.2260 45.3990 45.4121 45.4406 45.4525 45.4815 45.4977 45.5701 45.5786 45.5972 45.6052 45.6865 45.7054 45.8352 45.8488 45.8533 45.8691 45.9803 45.9880 46.0536 46.0622 46.2260 46.2358 46.3104 46.3181 46.3586 46.3689 46.4716 46.4846 46.5569 46.5765 46.7303 46.7444 46.7999 46.8045 46.8110 46.8114 46.9426 46.9573 47.0376 47.0547 47.0971 47.1029 47.1922 47.1949 47.2408 47.2575 47.3563 47.3674 47.3834 47.3954 47.4854 47.5172 47.6535 47.6705 47.7005 47.7098 47.7767 47.7856 47.8072 47.8357 48.0227 48.0391 48.0521 48.0658 48.1504 48.1590 48.2137 48.2301 48.2673 48.2923 48.5613 48.6098 48.6209 48.6450 48.7001 48.7096 48.7412 48.7565 48.8539 48.8719 48.9246 48.9400 49.0562 49.0667 49.1999 49.2094 49.2175 49.2293 49.2684 49.2924 49.6054 49.6247 49.7062 49.7154 49.7656 49.7787 49.8214 49.8452 49.8728 49.8914 49.9461 49.9533 50.1370 50.1642 50.1988 50.2340 50.3150 50.3276 50.3695 50.3781 50.5456 50.5544 50.6140 50.6214 50.6452 50.6630 50.7930 50.8093 50.8492 50.8592 50.8597 50.8697 50.8755 50.8784 50.9217 50.9284 51.1483 51.1592 51.2214 51.2317 51.2392 51.2601 51.3534 51.3699 51.4834 51.4936 51.5105 51.5180 51.5938 51.6007 51.7503 51.7571 51.7677 51.7889 51.8910 51.9047 51.9363 51.9517 52.0580 52.0879 52.1709 52.1955 52.2501 52.2760 52.3796 52.4021 52.4528 52.4575 52.7590 52.7659 52.8019 52.8150 52.8202 52.8492 52.8527 52.8562 52.8600 52.8655 52.9261 52.9462 52.9682 53.0185 53.0354 53.0448 53.0840 53.0907 53.1919 53.2060 53.2982 53.3128 53.3808 53.3894 53.4259 53.4273 53.4342 53.4481 53.5001 53.5102 53.5840 53.5971 53.5977 53.6060 53.7375 53.7440 53.8803 53.8871 53.9057 53.9396 53.9762 53.9825 53.9904 54.0072 54.0171 54.0296 54.2142 54.2271 54.2881 54.3043 54.3715 54.4032 54.4571 54.4729 54.5138 54.5182 54.6200 54.6493 54.7002 54.7145 54.7184 54.7306 54.7362 54.7541 54.8430 54.8728 54.9203 54.9377 54.9529 54.9661 55.0054 55.0298 55.0661 55.1232 55.1338 55.1589 55.2590 55.2768 55.3605 55.3798 55.4589 55.4701 55.6768 55.6885 55.6967 55.7054 55.7457 55.7811 55.7873 55.8379 55.9680 55.9905 56.0000 56.0053 56.2484 56.2628 56.2995 56.3130 56.4531 56.4921 56.6495 56.6561 56.7005 56.7011 56.7055 56.7135 56.7805 56.7907 56.8311 56.8502 56.9432 56.9766 57.0007 57.0213 57.1362 57.1449 57.2565 57.2714 57.3578 57.3641 57.3723 57.3912 57.5256 57.5402 57.5689 57.5803 57.6571 57.6719 57.7928 57.8010 57.8977 57.9080 57.9924 57.9994 58.0109 58.0197 58.0398 58.0696 58.2220 58.2258 58.3165 58.3232 58.3485 58.3554 58.4445 58.4554 58.5775 58.5932 58.7337 58.7437 58.8198 58.8347 58.8533 58.8656 58.9378 58.9491 58.9911 59.0048 59.1680 59.1942 59.2178 59.2219 59.2240 59.2281 59.2763 59.2949 59.4507 59.4647 59.4674 59.4744 59.5767 59.5911 59.5991 59.6032 59.7161 59.7194 59.7491 59.7694 59.7887 59.8405 59.8931 59.9170 60.0150 60.0310 60.0445 60.0554 60.1130 60.1408 60.2341 60.2491 60.3076 60.3173 60.4147 60.4400 60.4668 60.4997 60.5832 60.6159 60.6237 60.6560 60.7082 60.7212 60.7808 60.8391 60.8559 60.8627 60.8903 60.9167 60.9923 61.0061 61.0603 61.0686 61.0989 61.1147 61.1318 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69.3682 69.3881 69.5334 69.5435 69.5874 69.6082 69.7270 69.7380 69.7404 69.7460 69.9633 69.9889 70.4505 70.4821 70.5392 70.5591 70.6450 70.6699 70.6750 70.6786 70.8154 70.8325 71.2847 71.3029 71.4537 71.4582 71.7867 71.7962 71.9062 71.9196 71.9809 71.9955 72.4387 72.5209 72.7274 72.7767 72.7950 72.8016 73.3229 73.3666 73.4661 73.4798 73.7052 73.7188 74.1919 74.2092 74.4615 74.4754 74.6129 74.6348 74.9601 74.9802 75.0874 75.0963 75.1420 75.1557 75.3529 75.3652 75.8430 75.8471 75.8705 75.8736 76.0197 76.0471 76.2519 76.2898 77.0032 77.0059 77.3294 77.3339 77.3571 77.3593 77.4930 77.4998 78.0575 78.1369 78.8000 78.8156 79.0637 79.0742 79.3176 79.3236 79.3655 79.3751 79.5643 79.5717 79.6615 79.6955 79.7254 79.7402 80.2426 80.2626 80.5972 80.6044 80.6812 80.6898 80.9935 80.9958 81.0168 81.0187 81.1498 81.1794 81.3279 81.3395 81.4079 81.4423 81.6457 81.6983 82.2128 82.2440 82.4327 82.4630 83.2931 83.3976 83.9049 83.9218 84.3377 84.3633 84.8216 84.8424 85.0608 85.0745 85.2102 85.2204 85.3092 85.3153 85.3166 85.3189 85.3709 85.3809 85.5508 85.5654 85.6284 85.6347 85.6446 85.6543 85.7183 85.7486 85.8407 85.8543 85.9497 85.9808 86.0194 86.0244 86.3638 86.4012 86.6491 86.6528 86.6538 86.6760 87.1831 87.2084 87.2458 87.2799 87.8453 87.8514 87.8679 87.8720 88.0772 88.0893 88.2943 88.3147 88.3532 88.3744 88.7329 88.7626 103.4474 103.4486 103.6432 103.6449 103.8818 103.8828 104.0665 104.0676 104.1831 104.1885 104.5427 104.5445 104.6145 104.6165 104.7316 104.7349 104.7929 104.7943 104.9045 104.9059 105.1154 105.1166 105.2525 105.2542 105.3505 105.3538 105.7331 105.7380 105.9832 105.9878 106.0688 106.0731 106.6186 106.6227 106.7224 106.7290 107.3479 107.3504 107.5602 107.5637 108.5780 108.5845 108.7863 108.7927 121.4558 121.4591 121.5114 121.5150 122.1689 122.1806 122.5325 122.5371 122.7628 122.7701 122.8245 122.8269 123.0735 123.0810 123.2537 123.2594 123.3144 123.3196 123.4307 123.4350 124.0533 124.0616 124.1144 124.1239 124.3425 124.3446 124.6001 124.6015 124.7700 124.7736 124.8883 124.8951 124.9803 124.9847 125.1837 125.1872 125.5131 125.5264 125.5552 125.5604 125.6669 125.6694 125.9147 125.9269 126.1675 126.1782 126.2870 126.2966 126.4523 126.4564 126.7488 126.7512 127.0780 127.0830 127.2305 127.2347 127.3549 127.3597 127.4612 127.4650 127.8976 127.9015 127.9572 127.9640 128.0682 128.0721 128.0743 128.0776 128.1848 128.1905 128.4464 128.4538 128.4923 128.5001 128.8340 128.8380 128.8736 128.8782 128.9614 128.9661 129.0471 129.0496 129.1315 129.1387 129.2679 129.2690 129.2794 129.2853 129.5860 129.5902 129.7174 129.7233 129.8704 129.8798 130.1326 130.1373 130.1419 130.1434 130.2590 130.2657 130.4335 130.4364 130.5650 130.5689 130.6860 130.6879 130.8188 130.8239 130.9313 130.9359 130.9415 130.9488 131.0414 131.0444 131.1125 131.1163 131.2999 131.3047 131.3051 131.3087 131.4790 131.4820 131.5642 131.5665 131.6999 131.7041 131.8810 131.8854 132.0124 132.0213 132.2287 132.2328 132.3753 132.3795 132.4072 132.4128 132.4169 132.4208 132.4246 132.4275 132.5518 132.5546 132.6258 132.6299 132.6660 132.6675 132.8103 132.8135 132.9338 132.9380 133.0249 133.0277 133.2989 133.3019 133.3409 133.3446 133.4037 133.4089 133.4370 133.4410 133.6581 133.6638 133.6951 133.7000 133.8925 133.8969 134.0684 134.0722 134.2809 134.2829 134.2897 134.2940 134.4271 134.4335 134.5175 134.5230 134.5819 134.5900 135.1374 135.1431 135.1562 135.1598 135.1933 135.2024 135.2262 135.2399 135.4810 135.4919 135.5358 135.5388 135.6101 135.6157 135.9850 135.9892 136.1842 136.1935 136.3688 136.3774 136.6400 136.6441 136.8230 136.8269 137.0895 137.1057 137.3315 137.3417 137.5544 137.5650 137.6656 137.6714 137.7057 137.7108 137.8999 137.9139 138.0393 138.0431 138.0727 138.0866 138.2748 138.2856 138.9111 138.9179 138.9713 138.9844 139.2743 139.2932 139.5783 139.5838 139.6910 139.7213 139.9639 139.9684 140.0589 140.0862 140.0922 140.1110 140.4376 140.4672 140.5984 140.6341 140.8600 140.8981 140.9954 141.0029 141.1908 141.2294 141.7378 141.7616 141.8439 141.8513 141.9781 141.9858 142.2120 142.2215 142.3175 142.3229 142.5384 142.5399 142.6041 142.6104 142.6694 142.6782 142.7946 142.8011 142.8186 142.8248 142.9233 142.9291 143.4487 143.4540 143.4613 143.4758 143.6405 143.6450 143.6740 143.6830 144.1755 144.1827 144.2837 144.2931 144.4071 144.4118 144.7087 144.7172 144.7351 144.7437 145.2993 145.3142 145.3771 145.3804 145.6885 145.6898 145.6966 145.6978 146.1367 146.1467 146.1688 146.1716 146.3996 146.4087 146.5425 146.5604 146.6718 146.6769 146.8229 146.8281 147.0652 147.0756 147.1834 147.1878 147.2171 147.2482 147.4761 147.4792 147.6917 147.7002 147.8644 147.8773 148.0845 148.1102 148.3372 148.3477 148.5353 148.5628 148.6166 148.6226 149.2158 149.2212 149.2992 149.3073 149.4639 149.4677 149.5275 149.5421 149.6202 149.6293 150.0457 150.0574 150.0585 150.0687 150.1063 150.1284 150.1373 150.1717 150.3279 150.3359 150.6933 150.7052 151.0000 151.0140 151.0784 151.1007 151.5456 151.5585 151.6370 151.6440 152.0532 152.0657 152.3288 152.3449 152.4080 152.4220 152.4817 152.4926 152.8585 152.8697 153.1960 153.2044 153.3404 153.3658 153.4825 153.4898 153.9935 154.0077 154.0597 154.0688 154.1262 154.1558 154.3471 154.3651 154.3889 154.3986 154.7494 154.7504 154.8094 154.8139 155.0383 155.0445 155.0654 155.0671 155.3439 155.3463 155.4583 155.4622 155.7279 155.7372 155.8435 155.8514 156.0605 156.0741 156.0900 156.0961 156.2923 156.3025 156.3992 156.4138 156.6215 156.6304 156.7246 156.7343 157.2076 157.2207 157.2741 157.2856 157.5752 157.6044 157.7025 157.7077 157.9759 157.9820 158.2787 158.2867 158.3204 158.3338 158.5903 158.5951 158.7194 158.7421 159.0925 159.1088 159.1105 159.1190 159.5725 159.5978 159.7392 159.7452 159.9141 159.9300 159.9883 159.9984 160.3071 160.3252 160.3392 160.3434 160.5631 160.5719 160.7802 160.7871 160.9267 160.9300 161.1487 161.1670 162.3219 162.3376 162.7548 162.7749 163.6216 163.6466 164.1990 164.2176 164.8587 164.8651 165.3506 165.3587 165.5592 165.5620 165.9066 165.9185 166.2276 166.2296 166.5379 166.5394 167.3645 167.3754 167.4225 167.4281 168.1575 168.1659 168.3310 168.3369 168.3983 168.4028 168.9091 168.9160 169.0677 169.0703 169.1788 169.1850 169.5851 169.5955 169.9935 169.9967 170.3551 170.3656 170.4225 170.4286 170.5413 170.5457 171.0543 171.0583 171.1302 171.1365 171.4740 171.4775 171.6788 171.6825 171.8385 171.8425 171.9087 171.9122 172.5710 172.5778 173.0433 173.0508 173.3720 173.3756 173.5500 173.5541 174.0377 174.0407 174.4381 174.4413 174.5844 174.5889 174.6755 174.6775 175.0720 175.0933 175.6509 175.6575 176.1503 176.1537 176.5355 176.5397 177.1195 177.1355 177.2541 177.2646 177.3528 177.3581 178.8494 178.8534 179.2290 179.2333 179.8902 179.8924 180.1462 180.1540 182.2315 182.2361 182.2758 182.2781 182.9958 182.9981 183.1866 183.1881 183.6877 183.6936 184.0403 184.0430 184.0442 184.0465 184.4556 184.4610 185.3228 185.3242 185.4632 185.4651 185.7138 185.7158 186.1155 186.1168 188.3306 188.3331 188.8987 188.9024 920.6988 920.6991 920.7529 920.7531 921.4129 921.4149 921.6857 921.6871 922.7280 922.7316 923.2603 923.2626 925.9027 925.9061 926.7498 926.7528 927.7772 927.7817 929.2114 929.2129 929.3331 929.3389 929.9350 929.9375 930.7305 930.7317 931.0559 931.0565 932.0025 932.0093 932.0503 932.0536 932.3012 932.3038 932.5335 932.5404 933.1889 933.1946 933.4659 933.4677 933.8789 933.8822 934.3943 934.3995 934.6441 934.6474 934.7209 934.7305 934.9768 934.9793 935.5172 935.5195 936.1075 936.1090 936.7901 936.7931 936.8146 936.8200 936.8348 936.8369 938.6996 938.7059 938.9415 938.9441 940.0327 940.0470 940.2568 940.2579 940.9090 940.9118 941.0939 941.0956 941.4482 941.4524 941.8766 941.8786 941.8939 941.8980 942.7268 942.7324 942.9190 942.9221 943.2826 943.2878 943.3461 943.3596 944.6966 944.7018 946.2525 946.2695 947.7856 947.8017 948.7904 948.7939 948.9966 948.9991 949.5972 949.6004 949.7605 949.7634 949.8904 949.8934 949.9630 949.9658 950.8472 950.8590 951.0317 951.0414 951.4334 951.4356 952.0541 952.0592 953.7561 953.7641 954.3098 954.3185 956.9142 956.9196 957.8370 957.8573 958.8651 958.8665 959.5950 959.6273 962.6216 962.6423 964.1198 964.1305 964.9596 964.9647 965.3328 965.3447 967.0725 967.0731 967.8610 967.8889 969.3888 969.3904 969.6041 969.6058 977.6621 977.6681 978.1265 978.1289 979.9155 979.9246 980.5020 980.5121 982.2512 982.2543 982.5262 982.5319 82912.8181 82912.8181 82913.9776 82913.9777 82923.0735 82923.0735 82924.5756 82924.5757 82930.8406 82930.8406 82930.8793 82930.8793 82932.4084 82932.4084 82933.0376 82933.0376 82942.1330 82942.1331 82943.0518 82943.0519 82943.9365 82943.9366 82944.0912 82944.0912 82947.0819 82947.0819 82948.2354 82948.2354 82950.1910 82950.1910 82950.8787 82950.8788 82953.9255 82953.9255 82955.8552 82955.8553 82958.0883 82958.0883 82960.4607 82960.4607</array>
                  </list>
               </module>
               <module cmlx:templateRef="fit.test">
                  <scalar dataType="xsd:double" dictRef="cc:sumfragments">0.00000000093097</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:ortho">0.00296914150010</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:fitscf">0.00109844674690</scalar>
               </module>
               <module cmlx:templateRef="mulliken">
                  <module cmlx:templateRef="charges">
                     <list cmlx:templateRef="row" id="row">
                        <array dataType="xsd:integer" dictRef="cc:serial" size="102">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102</array>
                        <array dataType="xsd:string" dictRef="cc:elementType" size="102">W W W W W W W W W W W W W W W W W W W W Tc Tc Si Si O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O Na O O O O O O O O O O O O O O O O O Na O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                        <array dataType="xsd:double" dictRef="x:charge" size="102">2.3454 2.3454 2.3827 2.3827 2.3854 2.3854 2.3579 2.3579 2.3527 2.3527 2.4014 2.4014 2.3994 2.3994 2.3573 2.3573 2.3439 2.3439 2.3820 2.3820 2.1107 2.1107 2.4554 2.4554 -0.9061 -0.8557 -0.8582 -0.9810 -1.1311 -0.9061 -0.8426 -0.9548 -0.9548 -0.9817 -0.9817 -0.8733 -0.8733 -0.8579 -0.8579 -0.9651 -0.9651 -0.9634 -0.9634 -0.9659 -0.9659 -0.9842 -0.9842 -0.8582 -0.8426 -0.9897 -0.9897 -0.9358 -0.9358 -0.8492 -0.8492 -0.9937 0.6937 -0.8872 -0.8872 -0.9454 -0.9454 -0.8400 -0.8400 -0.9637 -0.9637 -0.9632 -0.9632 -0.8376 -0.8376 -0.9845 -0.9845 -0.9762 -0.9762 -0.9810 0.6937 -1.1231 -1.1231 -0.9787 -0.9787 -1.1310 -1.1310 -1.1384 -1.1384 -0.8587 -0.8587 -0.9690 -0.9690 -0.9773 -0.9773 -1.1311 -0.8557 -0.8825 -0.8825 -0.9852 -0.9852 -0.8648 -0.8648 -0.8336 -0.8336 -0.9380 -0.9380 -0.9937</array>
                        <array dataType="xsd:double" dictRef="a:spinDensity" size="102">0.0005 0.0005 0.0003 0.0003 0.0002 0.0002 0.0149 0.0149 0.0000 0.0000 0.0008 0.0008 -0.0000 -0.0000 0.0195 0.0195 0.0046 0.0046 0.0026 0.0026 0.7400 0.7400 0.0016 0.0016 0.0305 -0.0001 -0.0001 -0.0000 0.0005 0.0305 -0.0000 0.1024 0.1024 0.0085 0.0085 0.0001 0.0001 0.0000 0.0000 -0.0005 -0.0005 -0.0004 -0.0004 0.0007 0.0007 -0.0001 -0.0001 -0.0001 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0005 0.0025 0.0025 0.0028 0.0028 -0.0013 -0.0013 0.0000 0.0000 0.0006 0.0006 0.0012 0.0012 -0.0001 -0.0001 -0.0000 -0.0000 -0.0000 0.0005 0.0000 0.0000 0.0002 0.0002 -0.0033 -0.0033 -0.0002 -0.0002 0.0001 0.0001 0.0002 0.0002 0.0046 0.0046 0.0005 -0.0001 0.0000 0.0000 0.0433 0.0433 0.0122 0.0122 0.0099 0.0099 0.0000 0.0000 0.0000</array>
                        <array dataType="xsd:string" dictRef="a:spin" size="204">A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B</array>
                        <array dataType="xsd:double" dictRef="a:orbitalS" size="204">1.0749 1.0748 1.0749 1.0748 1.0645 1.0646 1.0645 1.0646 1.0635 1.0635 1.0635 1.0635 1.0688 1.0690 1.0688 1.0690 1.0738 1.0738 1.0738 1.0738 1.0645 1.0645 1.0645 1.0645 1.0624 1.0623 1.0624 1.0623 1.0732 1.0721 1.0732 1.0721 1.0655 1.0655 1.0655 1.0655 1.0639 1.0637 1.0639 1.0637 0.1961 0.1833 0.1961 0.1833 0.1730 0.1729 0.1730 0.1729 0.9783 0.9792 0.9785 0.9785 0.9777 0.9777 0.9657 0.9656 0.9494 0.9493 0.9783 0.9792 0.9795 0.9795 0.9931 0.9920 0.9931 0.9920 0.9701 0.9699 0.9701 0.9699 0.9804 0.9804 0.9804 0.9804 0.9776 0.9776 0.9776 0.9776 0.9665 0.9666 0.9665 0.9666 0.9720 0.9720 0.9720 0.9720 0.9660 0.9660 0.9660 0.9660 0.9700 0.9700 0.9700 0.9700 0.9777 0.9777 0.9795 0.9795 0.9699 0.9699 0.9699 0.9699 0.9700 0.9700 0.9700 0.9700 0.9787 0.9787 0.9787 0.9787 0.9698 0.9698 0.0463 0.0463 0.9821 0.9821 0.9821 0.9821 0.9732 0.9735 0.9732 0.9735 0.9806 0.9806 0.9806 0.9806 0.9659 0.9659 0.9659 0.9659 0.9658 0.9658 0.9658 0.9658 0.9795 0.9795 0.9795 0.9795 0.9699 0.9699 0.9699 0.9699 0.9653 0.9653 0.9653 0.9653 0.9657 0.9656 0.0463 0.0463 0.9487 0.9487 0.9487 0.9487 0.9695 0.9695 0.9695 0.9695 0.9502 0.9506 0.9502 0.9506 0.9475 0.9475 0.9475 0.9475 0.9781 0.9781 0.9781 0.9781 0.9656 0.9656 0.9656 0.9656 0.9707 0.9705 0.9707 0.9705 0.9494 0.9493 0.9785 0.9785 0.9798 0.9798 0.9798 0.9798 0.9696 0.9697 0.9696 0.9697 0.9789 0.9788 0.9789 0.9788 0.9809 0.9807 0.9809 0.9807 0.9697 0.9697 0.9697 0.9697 0.9698 0.9698</array>
                        <array dataType="xsd:double" dictRef="a:orbitalP" size="204">3.0672 3.0672 3.0672 3.0672 3.0620 3.0620 3.0620 3.0620 3.0618 3.0618 3.0618 3.0618 3.0705 3.0699 3.0705 3.0699 3.0649 3.0649 3.0649 3.0649 3.0634 3.0634 3.0634 3.0634 3.0605 3.0605 3.0605 3.0605 3.0676 3.0658 3.0676 3.0658 3.0733 3.0730 3.0733 3.0730 3.0634 3.0633 3.0634 3.0633 -0.2678 -0.2670 -0.2678 -0.2670 0.3115 0.3101 0.3115 0.3101 2.4718 2.4420 2.4341 2.4341 2.4365 2.4366 2.5108 2.5109 2.6034 2.6029 2.4718 2.4420 2.4260 2.4261 2.5149 2.4142 2.5149 2.4142 2.5103 2.5019 2.5103 2.5019 2.4422 2.4421 2.4422 2.4421 2.4364 2.4364 2.4364 2.4364 2.5017 2.5021 2.5017 2.5021 2.4950 2.4954 2.4950 2.4954 2.5034 2.5028 2.5034 2.5028 2.5077 2.5077 2.5077 2.5077 2.4365 2.4366 2.4260 2.4261 2.5101 2.5101 2.5101 2.5101 2.4835 2.4835 2.4835 2.4835 2.4305 2.4305 2.4305 2.4305 2.5119 2.5119 0.0629 0.0626 2.4488 2.4463 2.4488 2.4463 2.4847 2.4822 2.4847 2.4822 2.4228 2.4241 2.4228 2.4241 2.5019 2.5019 2.5019 2.5019 2.5022 2.5016 2.5022 2.5016 2.4244 2.4232 2.4244 2.4232 2.5079 2.5080 2.5079 2.5080 2.5090 2.5090 2.5090 2.5090 2.5108 2.5109 0.0629 0.0626 2.6010 2.6009 2.6010 2.6009 2.5048 2.5046 2.5048 2.5046 2.6003 2.6037 2.6003 2.6037 2.6082 2.6083 2.6082 2.6083 2.4362 2.4361 2.4362 2.4361 2.5048 2.5047 2.5048 2.5047 2.5054 2.5009 2.5054 2.5009 2.6034 2.6029 2.4341 2.4341 2.4476 2.4476 2.4476 2.4476 2.5277 2.4876 2.5277 2.4876 2.4445 2.4323 2.4445 2.4323 2.4251 2.4152 2.4251 2.4152 2.4849 2.4848 2.4849 2.4848 2.5119 2.5119</array>
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                        <array dataType="xsd:double" dictRef="a:orbitalF" size="204">0.0021 0.0021 0.0021 0.0021 0.0021 0.0021 0.0021 0.0021 0.0021 0.0021 0.0021 0.0021 0.0021 0.0021 0.0021 0.0021 0.0021 0.0021 0.0021 0.0021 0.0021 0.0021 0.0021 0.0021 0.0022 0.0022 0.0022 0.0022 0.0021 0.0021 0.0021 0.0021 0.0021 0.0021 0.0021 0.0021 0.0021 0.0021 0.0021 0.0021 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000</array>
                     </list>
                  </module>
               </module>
               <module cmlx:templateRef="sfo.population"/>
            </module>
         </module>
      </module>
   </module>
</module>
