<?xml version="1.0" encoding="UTF-8"?>
<module xmlns="http://www.xml-cml.org/schema" xmlns:cc="http://www.xml-cml.org/dictionary/compchem/" xmlns:cml="http://www.xml-cml.org/schema" xmlns:cmlx="http://www.xml-cml.org/schema/cmlx" xmlns:compchem="http://www.xml-cml.org/dictionary/compchem/" xmlns:convention="http://www.xml-cml.org/convention/" xmlns:g="http://www.iochem-bd.org/dictionary/gaussian/" xmlns:nonsi="http://www.xml-cml.org/unit/nonSi/" xmlns:nonsi2="http://www.iochem-bd.org/unit/nonSi2/" xmlns:si="http://www.xml-cml.org/unit/si/" xmlns:xi="http://www.w3.org/2001/XInclude" xmlns:xsd="http://www.w3.org/2001/XMLSchema" convention="convention:compchem" id="gaussian.log">
<module dictRef="cc:jobList" id="jobList1">
<module cmlx:templateRef="job" dictRef="cc:job" id="job">
<module dictRef="cc:environment" id="environment">
<parameterList>
<parameter dictRef="cc:program">
<scalar dataType="xsd:string">Gaussian 16</scalar>
</parameter>
<parameter dictRef="cc:hostname">
<scalar dataType="xsd:string">GINC-EXP-10-23</scalar>
</parameter>
<parameter dictRef="cc:jobname">
<scalar dataType="xsd:string">VOLGA</scalar>
</parameter>
<parameter dictRef="cc:title">
<scalar dataType="xsd:string">Title Card Required</scalar>
</parameter>
<parameter dictRef="cc:version">
<scalar dataType="xsd:string">ES64L-G16RevC.01</scalar>
</parameter>
<parameter dictRef="cc:run.date">
<scalar dataType="xsd:string">6-Feb-2025</scalar>
</parameter>
<parameter dictRef="cc:program">
<scalar dataType="xsd:string">Gaussian 16</scalar>
</parameter>
<parameter dictRef="cc:program.date">
<scalar dataType="xsd:string">3-Jul-2019</scalar>
</parameter>
<parameter dictRef="cc:version">
<scalar dataType="xsd:string">ES64L-G16RevC.01</scalar>
</parameter>
</parameterList>
</module>
<module dictRef="cc:initialization" id="initialization">
<parameterList>
<parameter dictRef="cc:nactiveatoms">
<scalar dataType="xsd:integer">46</scalar>
</parameter>
<parameter dictRef="cc:natoms">
<scalar dataType="xsd:integer">46</scalar>
</parameter>
<parameter dictRef="cc:betae">
<scalar dataType="xsd:integer">120</scalar>
</parameter>
<parameter dictRef="cc:alphae">
<scalar dataType="xsd:integer">120</scalar>
</parameter>
<parameter dictRef="cc:basiscount">
<scalar dataType="xsd:integer">634</scalar>
</parameter>
<parameter dictRef="cc:diffuse">
<scalar dataType="xsd:string">(6D, 7F)</scalar>
</parameter>
<parameter dictRef="cc:basis">
<scalar dataType="xsd:string">6-31+G(d,p)</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">132</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">132</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C12H18N2O11P2S)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C12H18N2O11P2S)]</scalar>
</parameter>
<parameter dictRef="cc:method">
<scalar dataType="xsd:string">RM062X</scalar>
</parameter>
<parameter dictRef="cc:basis">
<scalar dataType="xsd:string">6-31+G(d,p)</scalar>
</parameter>
<parameter dictRef="g:operation">
<scalar dataType="xsd:string">FOpt</scalar>
</parameter>
<parameter dictRef="g:keyword">
<scalar dataType="xsd:string">#</scalar>
</parameter>
<parameter dictRef="g:keyword">
<scalar dataType="xsd:string">opt</scalar>
</parameter>
<parameter dictRef="g:keyword">
<scalar dataType="xsd:string">freq</scalar>
</parameter>
<parameter dictRef="g:keyword">
<scalar dataType="xsd:string">6-31+g(d,p)</scalar>
</parameter>
<parameter dictRef="g:keyword">
<scalar dataType="xsd:string">scrf=(smd,solvent=water)</scalar>
</parameter>
<parameter dictRef="g:keyword">
<scalar dataType="xsd:string">geom=connectivity</scalar>
</parameter>
<parameter dictRef="g:keyword">
<scalar dataType="xsd:string">m062x</scalar>
</parameter>
</parameterList>
<molecule cmlx:templateRef="mol" formalCharge="-2" id="zmat" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="-3.13609" y3="0.74391" z3="-0.14045"/>
<atom elementType="C" id="a2" x3="-1.61423" y3="0.74391" z3="-0.14045"/>
<atom elementType="C" id="a3" x3="-1.14546" y3="2.19177" z3="-0.14045"/>
<atom elementType="C" id="a4" x3="-3.60529" y3="2.18823" z3="-0.24404"/>
<atom elementType="H" id="a5" x3="-0.48597" y3="2.35883" z3="-0.96632"/>
<atom elementType="H" id="a6" x3="-4.21704" y3="2.33585" z3="-1.16924"/>
<atom elementType="O" id="a7" x3="-2.3732" y3="3.08134" z3="-0.27363"/>
<atom elementType="C" id="a8" x3="-4.5031" y3="2.54852" z3="0.95418"/>
<atom elementType="H" id="a9" x3="-5.52477" y3="2.34813" z3="0.70732"/>
<atom elementType="H" id="a10" x3="-4.21916" y3="1.96083" z3="1.80206"/>
<atom elementType="O" id="a11" x3="-4.35086" y3="3.93632" z3="1.26359"/>
<atom elementType="P" id="a12" x3="-5.18971" y3="4.8746" z3="0.10598"/>
<atom elementType="O" id="a13" x3="-6.82425" y3="4.37602" z3="0.04433"/>
<atom elementType="O" id="a14" x3="-4.47028" y3="4.66094" z3="-1.43053"/>
<atom elementType="O" id="a15" x3="-5.11347" y3="6.52512" z3="0.54653"/>
<atom elementType="C" id="a16" x3="-5.69595" y3="7.32262" z3="-0.48768"/>
<atom elementType="H" id="a17" x3="-5.80427" y3="8.32983" z3="-0.14316"/>
<atom elementType="H" id="a18" x3="-5.06247" y3="7.30676" z3="-1.34986"/>
<atom elementType="H" id="a19" x3="-6.65696" y3="6.92801" z3="-0.74388"/>
<atom elementType="H" id="a20" x3="-3.50909" y3="0.29414" z3="0.75592"/>
<atom elementType="H" id="a21" x3="-1.25225" y3="0.24622" z3="0.73487"/>
<atom elementType="O" id="a22" x3="-1.13046" y3="0.07878" z3="-1.31026"/>
<atom elementType="H" id="a23" x3="-1.22035" y3="-0.87055" z3="-1.1994"/>
<atom elementType="O" id="a24" x3="-3.63704" y3="-0.02605" z3="-1.23639"/>
<atom elementType="P" id="a25" x3="-4.42118" y3="-1.42401" z3="-0.64063"/>
<atom elementType="O" id="a26" x3="-3.88106" y3="-1.74656" z3="0.94945"/>
<atom elementType="O" id="a27" x3="-6.11175" y3="-1.16728" z3="-0.62728"/>
<atom elementType="O" id="a28" x3="-4.05488" y3="-2.75614" z3="-1.64827"/>
<atom elementType="C" id="a29" x3="-5.06379" y3="-3.75861" z3="-1.49981"/>
<atom elementType="H" id="a30" x3="-5.95098" y3="-3.45042" z3="-2.01246"/>
<atom elementType="H" id="a31" x3="-4.71414" y3="-4.68076" z3="-1.91487"/>
<atom elementType="H" id="a32" x3="-5.28118" y3="-3.89476" z3="-0.46101"/>
<atom elementType="N" id="a33" x3="-0.44987" y3="2.48942" z3="1.1199"/>
<atom elementType="C" id="a34" x3="0.83627" y3="2.13827" z3="1.32372"/>
<atom elementType="C" id="a35" x3="-1.06197" y3="3.12899" z3="2.13737"/>
<atom elementType="C" id="a36" x3="-0.39018" y3="3.41645" z3="3.35446"/>
<atom elementType="H" id="a37" x3="-2.11378" y3="3.41996" z3="1.97966"/>
<atom elementType="C" id="a38" x3="0.89595" y3="3.06533" z3="3.55831"/>
<atom elementType="N" id="a39" x3="1.50804" y3="2.42574" z3="2.54079"/>
<atom elementType="O" id="a40" x3="1.46833" y3="3.25474" z3="4.66288"/>
<atom elementType="H" id="a41" x3="2.46227" y3="2.14606" z3="2.64673"/>
<atom elementType="S" id="a42" x3="1.55863" y3="1.39464" z3="0.14948"/>
<atom elementType="C" id="a43" x3="-1.10041" y3="4.1475" z3="4.5089"/>
<atom elementType="H" id="a44" x3="-1.35385" y3="3.4440" z3="5.27425"/>
<atom elementType="H" id="a45" x3="-0.44906" y3="4.89436" z3="4.91245"/>
<atom elementType="H" id="a46" x3="-1.99178" y3="4.61207" z3="4.14211"/>
</atomArray>
<bondArray/>
<formula concise="C12H18N2O11P2S"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">442.14772199999993</scalar>
</property>
<list cmlx:templateRef="charge">
<list>
<scalar dataType="xsd:integer" dictRef="g:charge">-2</scalar>
<scalar dataType="xsd:integer" dictRef="g:mult">1</scalar>
</list>
</list>
<formula convention="iupac:inchi" inline="InChI=1/12C.2N.11O.2P.S.18H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;2;3;4;8;16;29;34;35;36;38;43;33;39;7;11;13;14;15;22;24;26;27;28;40;12;25;42;5;6;9;10;17;18;19;20;21;23;30;31;32;37;41;44;45;46/rA:46nC0C0C0C0H0H0O0C0H0H0O0P0O0O0O0C0H0H0H0H0H0O0H0O0P0O0O0O0C0H0H0H0N0C0C0C0H0C0N0O0H0S0C0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-3.1361,.7439,-.1404;-1.6142,.7439,-.1404;-1.1455,2.1918,-.1404;-3.6053,2.1882,-.244;-.486,2.3588,-.9663;-4.217,2.3359,-1.1692;-2.3732,3.0813,-.2736;-4.5031,2.5485,.9542;-5.5248,2.3481,.7073;-4.2192,1.9608,1.8021;-4.3509,3.9363,1.2636;-5.1897,4.8746,.106;-6.8243,4.376,.0443;-4.4703,4.6609,-1.4305;-5.1135,6.5251,.5465;-5.6959,7.3226,-.4877;-5.8043,8.3298,-.1432;-5.0625,7.3068,-1.3499;-6.657,6.928,-.7439;-3.5091,.2941,.7559;-1.2523,.2462,.7349;-1.1305,.0788,-1.3103;-1.2204,-.8706,-1.1994;-3.637,-.0261,-1.2364;-4.4212,-1.424,-.6406;-3.8811,-1.7466,.9495;-6.1117,-1.1673,-.6273;-4.0549,-2.7561,-1.6483;-5.0638,-3.7586,-1.4998;-5.951,-3.4504,-2.0125;-4.7141,-4.6808,-1.9149;-5.2812,-3.8948,-.461;-.4499,2.4894,1.1199;.8363,2.1383,1.3237;-1.062,3.129,2.1374;-.3902,3.4165,3.3545;-2.1138,3.42,1.9797;.896,3.0653,3.5583;1.508,2.4257,2.5408;1.4683,3.2547,4.6629;2.4623,2.1461,2.6467;1.5586,1.3946,.1495;-1.1004,4.1475,4.5089;-1.3538,3.444,5.2743;-.4491,4.8944,4.9124;-1.9918,4.6121,4.1421;</scalar>
</formula>
</molecule>
<module dictRef="cc:userDefinedModule" id="otherComponents">
<module cmlx:templateRef="entering" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:string" dictRef="g:link0">g16</scalar>
<array dataType="xsd:string" dictRef="g:command" size="1">Output=25U.log</array>
</module>
<module cmlx:templateRef="l1" dictRef="cc:userDefinedModule">
<module cmlx:templateRef="l1.end">
<array dataType="xsd:string" dictRef="g:kk" size="1">mem=16GB</array>
<array dataType="xsd:string" dictRef="g:kk" size="1">nprocshared=16</array>
<array dataType="xsd:string" dictRef="g:kk" size="1">chk=25U.chk</array>
<scalar cmlx:templateRef="title" dataType="xsd:string" dictRef="cc:title"># opt freq 6-31+g(d,p) scrf=(smd,solvent=water) geom=connectivity m062</scalar>
<list cmlx:templateRef="control">
<scalar dataType="xsd:string" dictRef="g:control">1/18=20,19=15,26=3,38=1,57=2/1,3</scalar>
<scalar dataType="xsd:string" dictRef="g:control">2/9=110,12=2,17=6,18=5,40=1/2</scalar>
<scalar dataType="xsd:string" dictRef="g:control">3/5=1,6=6,7=111,11=2,25=1,30=1,70=32201,71=1,72=1,74=-55/1,2,3</scalar>
<scalar dataType="xsd:string" dictRef="g:control">4//1</scalar>
<scalar dataType="xsd:string" dictRef="g:control">5/5=2,38=5,53=1/2</scalar>
<scalar dataType="xsd:string" dictRef="g:control">6/7=2,8=2,9=2,10=2,28=1/1</scalar>
<scalar dataType="xsd:string" dictRef="g:control">7//1,2,3,16</scalar>
<scalar dataType="xsd:string" dictRef="g:control">1/18=20,19=15,26=3/3(2)</scalar>
<scalar dataType="xsd:string" dictRef="g:control">2/9=110/2</scalar>
<scalar dataType="xsd:string" dictRef="g:control">99//99</scalar>
</list>
<list cmlx:templateRef="control">
<scalar dataType="xsd:string" dictRef="g:control">2/9=110/2</scalar>
<scalar dataType="xsd:string" dictRef="g:control">3/5=1,6=6,7=111,11=2,25=1,30=1,70=32205,71=1,72=1,74=-55/1,2,3</scalar>
<scalar dataType="xsd:string" dictRef="g:control">4/5=5,16=3,69=1/1</scalar>
<scalar dataType="xsd:string" dictRef="g:control">5/5=2,38=5,53=1/2</scalar>
<scalar dataType="xsd:string" dictRef="g:control">7//1,2,3,16</scalar>
<scalar dataType="xsd:string" dictRef="g:control">1/18=20,19=15,26=3/3(-5)</scalar>
<scalar dataType="xsd:string" dictRef="g:control">2/9=110/2</scalar>
<scalar dataType="xsd:string" dictRef="g:control">6/7=2,8=2,9=2,10=2,19=2,28=1/1</scalar>
<scalar dataType="xsd:string" dictRef="g:control">99/9=1/99</scalar>
</list>
</module>
</module>
<module cmlx:templateRef="l101" dictRef="cc:userDefinedModule">
<module cmlx:templateRef="l101.title">
<scalar cmlx:templateRef="title" dataType="xsd:string" dictRef="cc:title">Title Card Required</scalar>
</module>
<list cmlx:templateRef="rest">
<scalar dataType="xsd:string" dictRef="x:l101"/>
<scalar dataType="xsd:string" dictRef="x:l101"/>
</list>
</module>
<module cmlx:templateRef="l103" dictRef="cc:userDefinedModule">
<list cmlx:templateRef="berny">
<scalar dataType="xsd:string" dictRef="g:optimization">Berny optimization.</scalar>
</list>
<module cmlx:templateRef="l103.init">
<list cmlx:templateRef="length">
<array dataType="xsd:string" dictRef="g:symbol" size="47">R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47</array>
<array dataType="xsd:integer" dictRef="g:atom1" size="47">1 1 1 1 2 2 2 3 3 3 4 4 4 8 8 8 11 12 12 12 15 16 16 16 22 24 25 25 25 28 29 29 29 33 33 34 34 35 35 36 36 38 38 39 43 43 43</array>
<array dataType="xsd:integer" dictRef="g:atom2" size="47">2 4 20 24 3 21 22 5 7 33 6 7 8 9 10 11 12 13 14 15 16 17 18 19 23 25 26 27 28 29 30 31 32 34 35 39 42 36 37 38 43 39 40 41 44 45 46</array>
<array dataType="xsd:double" dictRef="cc:distance" size="47">1.5219 1.5222 1.07 1.43 1.5219 1.07 1.43 1.07 1.522 1.47 1.1189 1.522 1.54 1.07 1.07 1.43 1.71 1.71 1.71 1.71 1.43 1.07 1.07 1.07 0.96 1.71 1.71 1.71 1.71 1.43 1.07 1.07 1.07 1.3487 1.3487 1.4196 1.5664 1.4196 1.1027 1.3487 1.54 1.3487 1.2584 1.0 1.07 1.07 1.07</array>
<array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="47">estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2</array>
</list>
<list cmlx:templateRef="angle">
<array dataType="xsd:string" dictRef="g:symbol" size="84">A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84</array>
<array dataType="xsd:integer" dictRef="g:atom1" size="84">2 2 2 4 4 20 1 1 1 3 3 21 2 2 2 5 5 7 1 1 1 6 6 7 3 4 4 4 9 9 10 8 11 11 11 13 13 14 12 15 15 15 17 17 18 2 1 24 24 24 26 26 27 25 28 28 28 30 30 31 3 3 34 33 33 39 33 33 36 35 35 38 36 36 39 34 34 38 36 36 36 44 44 45</array>
<array dataType="xsd:integer" dictRef="g:atom2" size="84">1 1 1 1 1 1 2 2 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 7 8 8 8 8 8 8 11 12 12 12 12 12 12 15 16 16 16 16 16 16 22 24 25 25 25 25 25 25 28 29 29 29 29 29 29 33 33 33 34 34 34 35 35 35 36 36 36 38 38 38 39 39 39 43 43 43 43 43 43</array>
<array dataType="xsd:integer" dictRef="g:atom3" size="84">4 20 24 20 24 24 3 21 22 21 22 22 5 7 33 7 33 33 6 7 8 7 8 8 4 9 10 11 10 11 11 12 13 14 15 14 15 15 16 17 18 19 18 19 19 23 25 26 27 28 27 28 28 29 30 31 32 31 32 32 34 35 35 39 42 42 36 37 37 38 43 43 39 40 40 38 41 41 44 45 46 45 46 46</array>
<array dataType="xsd:double" dictRef="cc:angle" size="84">107.9539 110.4015 110.5067 110.3901 110.5339 107.0727 107.9403 109.7736 109.7736 109.7736 109.7736 109.7804 109.7787 107.9138 109.7787 109.7787 109.7858 109.7787 110.4863 107.9735 110.411 110.431 107.0824 110.474 107.9592 109.4712 109.4712 109.4712 109.4712 109.4713 109.4712 109.5 109.4712 109.4712 109.4712 109.4712 109.4712 109.4713 109.5 109.4712 109.4712 109.4712 109.4713 109.4712 109.4712 109.5 109.5 109.4712 109.4712 109.4712 109.4712 109.4712 109.4713 109.5 109.4712 109.4712 109.4712 109.4713 109.4712 109.4712 121.8762 121.8762 116.2476 121.8777 116.749 121.3733 121.8742 116.7536 121.3722 121.8802 121.3716 116.7483 116.2445 121.8186 121.8139 121.8759 119.062 119.062 109.4712 109.4712 109.4712 109.4713 109.4712 109.4712</array>
<array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="84">estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2</array>
</list>
<list cmlx:templateRef="dihed">
<array dataType="xsd:string" dictRef="g:symbol" size="105">D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105</array>
<array dataType="xsd:integer" dictRef="g:atom1" size="105">4 4 4 20 20 20 24 24 24 2 2 2 20 20 20 24 24 24 2 4 20 1 1 1 21 21 21 22 22 22 1 3 21 2 5 33 2 2 5 5 7 7 1 6 8 1 1 1 6 6 6 7 7 7 4 9 10 8 8 8 11 13 14 12 12 12 1 1 1 24 26 27 25 25 25 3 3 35 35 3 3 34 34 33 33 42 42 33 33 37 37 35 35 43 43 35 35 35 38 38 38 36 36 40 40</array>
<array dataType="xsd:integer" dictRef="g:atom2" size="105">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 4 4 4 8 8 8 11 11 11 12 12 12 15 15 15 24 24 24 25 25 25 28 28 28 33 33 33 33 33 33 33 33 34 34 34 34 35 35 35 35 36 36 36 36 36 36 36 36 36 36 38 38 38 38</array>
<array dataType="xsd:integer" dictRef="g:atom3" size="105">2 2 2 2 2 2 2 2 2 4 4 4 4 4 4 4 4 4 24 24 24 3 3 3 3 3 3 3 3 3 22 22 22 7 7 7 33 33 33 33 33 33 7 7 7 8 8 8 8 8 8 8 8 8 11 11 11 12 12 12 15 15 15 16 16 16 25 25 25 28 28 28 29 29 29 34 34 34 34 35 35 35 35 39 39 39 39 36 36 36 36 38 38 38 38 43 43 43 43 43 43 39 39 39 39</array>
<array dataType="xsd:integer" dictRef="g:atom4" size="105">3 21 22 3 21 22 3 21 22 6 7 8 6 7 8 6 7 8 25 25 25 5 7 33 5 7 33 5 7 33 23 23 23 4 4 4 34 35 34 35 34 35 3 3 3 9 10 11 9 10 11 9 10 11 12 12 12 13 14 15 16 16 16 17 18 19 26 27 28 29 29 29 30 31 32 39 42 39 42 36 37 36 37 38 41 38 41 38 43 38 43 39 40 39 40 44 45 46 44 45 46 34 41 34 41</array>
<array dataType="xsd:double" dictRef="cc:dihed" size="105">4.1024 123.724 -115.5192 -116.6461 2.9755 123.7323 125.0901 -115.2883 5.4685 119.5013 -1.3604 -122.2296 -119.7431 119.3952 -1.474 -1.4694 -122.3312 116.7997 112.7637 -127.7953 -7.5149 -124.8918 -5.2768 114.3382 115.4866 -124.8984 -5.2834 -5.2702 114.3448 -126.0402 -76.5338 164.9715 44.2189 4.4355 124.0505 -115.1795 80.4437 -99.5563 -40.3221 139.6779 -161.0878 18.9122 -1.9007 -122.7969 118.9291 -91.042 28.958 148.958 29.2905 149.2905 -90.7095 149.5921 -90.4079 29.5921 75.4265 -44.5735 -164.5735 55.4675 -64.5325 175.4675 174.1846 -65.8154 54.1847 170.1926 -69.8074 50.1926 -20.3977 99.6023 -140.3977 -157.5773 82.4227 -37.5773 74.9385 -165.0615 -45.0615 179.997 -0.003 -0.003 179.997 -179.9976 0.0 0.0024 -180.0 0.0031 -179.9969 -179.9968 0.0032 -0.0018 179.9987 -179.9994 0.0011 0.0017 -176.0345 -179.9988 3.9651 103.9817 -136.0183 -16.0183 -76.0178 43.9822 163.9822 -0.0023 179.9977 176.0341 -3.9659</array>
<array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="105">estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2</array>
</list>
</module>
</module>
<module cmlx:templateRef="l301.basis" dictRef="g:primbasis">
<list cmlx:templateRef="symmadaptcart">
<array dataType="xsd:integer" dictRef="cc:adapted" size="1">634</array>
<array dataType="xsd:string" dictRef="cc:symm" size="1">A</array>
</list>
<list cmlx:templateRef="symmadapt">
<array dataType="xsd:integer" dictRef="cc:adapted" size="1">634</array>
<array dataType="xsd:string" dictRef="cc:symm" size="1">A</array>
</list>
<scalar dataType="xsd:integer" dictRef="g:primbasis">1094</scalar>
<scalar dataType="xsd:integer" dictRef="cc:cartesianbasis">634</scalar>
<scalar dataType="xsd:double" dictRef="cc:nucrepener">3483.5102451378</scalar>
<scalar dataType="xsd:integer" dictRef="cc:uniqatoms">46</scalar>
<scalar dataType="xsd:double" dictRef="g:sfac">1.00e+00</scalar>
<scalar dataType="xsd:integer" dictRef="g:natfmm">60</scalar>
<scalar dataType="xsd:string" dictRef="g:big">F</scalar>
</module>
<module cmlx:templateRef="l103" dictRef="cc:userDefinedModule">
<list cmlx:templateRef="berny">
<scalar dataType="xsd:string" dictRef="g:optimization">Berny optimization.</scalar>
</list>
<module cmlx:templateRef="l103.localminsaddle">
<scalar cmlx:templateRef="r" dataType="xsd:string" dictRef="cc:minmaxts">local minimum</scalar>
<array cmlx:templateRef="junk" dataType="xsd:string" dictRef="x:junk1" size="9">Step number 45 out of a maximum of 246</array>
<array cmlx:templateRef="junk" dataType="xsd:string" dictRef="x:junk1" size="7">All quantities printed in internal units (Hartrees-Bohrs-Radians)</array>
<array cmlx:templateRef="eigenvaluelist" dataType="xsd:double" dictRef="" size="132">0.00073 0.00115 0.00217 0.00241 0.00355 0.00494 0.00546 0.00635 0.00995 0.01272 0.01365 0.01428 0.01490 0.01656 0.01690 0.01831 0.01903 0.02188 0.02259 0.02422 0.02602 0.03557 0.03742 0.03994 0.04360 0.04684 0.05061 0.05336 0.05477 0.05757 0.05846 0.06128 0.06867 0.07015 0.07054 0.07187 0.07576 0.08099 0.08191 0.10164 0.10227 0.10576 0.10618 0.10748 0.11771 0.13959 0.14223 0.15461 0.15649 0.15743 0.15891 0.15971 0.15993 0.15994 0.15998 0.16017 0.16047 0.16097 0.16137 0.16281 0.16422 0.16687 0.17166 0.17808 0.18095 0.18497 0.19176 0.20631 0.20712 0.21074 0.22054 0.22827 0.23373 0.23670 0.23907 0.24071 0.24818 0.24946 0.25224 0.25857 0.26539 0.26722 0.27417 0.27825 0.28411 0.29146 0.29331 0.29815 0.30910 0.31326 0.31882 0.32235 0.33174 0.34352 0.34845 0.35193 0.35655 0.36548 0.37069 0.37179 0.37203 0.37219 0.37224 0.37227 0.37230 0.37232 0.37234 0.37245 0.37254 0.37299 0.37344 0.37402 0.37938 0.38459 0.39225 0.40241 0.40915 0.41052 0.41872 0.42751 0.44228 0.47689 0.48085 0.49404 0.50929 0.52894 0.53488 0.55044 0.56820 0.57101 0.60291 0.79879</array>
</module>
<module cmlx:templateRef="rfo">
<list cmlx:templateRef="rfo">
<scalar dataType="xsd:double" dictRef="g:lambda">-2.73865226e-10</scalar>
</list>
</module>
<module cmlx:templateRef="l103.deltas">
<list cmlx:templateRef="delta">
<array dataType="xsd:string" dictRef="cc:variable" size="236">R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105</array>
<array dataType="xsd:double" dictRef="g:lastval" size="236">2.90984 2.88034 2.07671 2.67747 2.89873 2.06857 2.66707 2.06012 2.65698 2.81905 2.07528 2.71758 2.85654 2.06951 2.06508 2.69991 3.08400 2.85254 2.85314 3.07535 2.71097 2.05929 2.06542 2.06802 1.84977 3.09326 2.86318 2.84645 3.05706 2.71523 2.06685 2.05836 2.06564 2.57647 2.61058 2.58021 3.17357 2.55321 2.04534 2.73594 2.82646 2.62208 2.33052 1.92253 2.06783 2.06796 2.06241 1.77951 1.91421 1.99929 1.92977 1.90830 1.92770 1.76740 1.96686 1.94487 1.95503 1.87777 1.94324 1.94257 1.87448 1.95233 1.92680 1.86340 1.90459 1.90557 1.81739 1.98215 1.90024 1.93254 1.92140 1.93513 1.89931 1.92431 1.95611 1.90522 1.92800 1.85018 2.08852 1.91545 1.92293 1.67202 2.06590 1.93645 1.91073 2.03808 1.86193 1.92763 1.93350 1.91438 1.90837 1.91721 1.85386 2.05925 1.89768 1.92659 1.65990 2.05994 1.92959 1.94800 2.03745 1.92887 1.85983 1.92626 1.91181 1.92094 1.91520 2.06324 2.09822 2.12087 2.00307 2.17448 2.10563 2.15585 2.00611 2.12112 2.05302 2.15616 2.07398 2.00470 2.18732 2.09116 2.22863 2.02703 2.02748 1.93007 1.92998 1.92720 1.87627 1.89959 1.89959 0.62210 2.71369 -1.37026 -1.42343 0.66815 2.86739 2.68091 -1.51069 0.68855 1.40307 -0.62419 -2.71424 -2.84582 1.41010 -0.67995 -0.71978 -2.74705 1.44609 1.04276 3.02695 -1.12895 -2.52785 -0.41696 1.67244 1.65535 -2.51695 -0.42755 -0.48581 1.62508 -2.56870 -1.26357 3.09702 0.94863 0.02858 2.14937 -2.09102 1.38453 -1.71327 -0.74445 2.44093 -2.82703 0.35835 0.38092 -1.65008 2.51161 -1.05983 1.02928 3.08582 1.09135 -3.10273 -1.04619 -3.08970 -1.00059 1.05595 1.19107 -0.93008 -2.99192 0.52425 -1.78037 2.52664 2.87768 -1.42042 0.89140 3.03565 -1.16807 0.96019 -1.35928 0.92608 2.93882 3.00057 1.04236 -1.28765 1.02653 3.10234 -1.10240 -3.12131 0.01662 -0.02411 3.11383 3.11280 -0.04476 0.01647 -3.14109 0.01751 -3.13460 -3.12058 0.01050 0.00070 3.13489 -3.12391 0.01028 -0.00764 3.13482 3.14100 0.00027 2.11042 -2.09656 0.00690 -1.03866 1.03755 3.14101 -0.00179 -3.13286 3.13899 0.00792</array>
<array dataType="xsd:double" dictRef="cc:deriv" size="236">-0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000</array>
<array dataType="xsd:double" dictRef="cc:delta.linear" size="236">-0.00001 -0.00005 0.00002 -0.00004 -0.00006 0.00002 0.00004 0.00001 -0.00001 0.00001 -0.00001 -0.00004 0.00013 0.00008 -0.00004 0.00002 -0.00003 0.00009 0.00007 -0.00017 0.00000 -0.00001 0.00000 -0.00000 -0.00005 0.00008 -0.00002 0.00003 -0.00008 0.00008 0.00002 -0.00001 -0.00006 0.00005 -0.00003 -0.00001 -0.00003 0.00002 -0.00002 -0.00005 0.00001 -0.00001 0.00002 0.00002 -0.00001 0.00000 -0.00000 0.00005 -0.00012 -0.00008 -0.00013 0.00028 0.00000 0.00002 0.00001 0.00000 0.00008 -0.00006 -0.00004 -0.00003 -0.00002 0.00008 -0.00005 -0.00003 0.00005 0.00013 -0.00009 -0.00020 -0.00001 0.00021 -0.00007 0.00006 -0.00011 -0.00005 0.00045 -0.00001 -0.00007 -0.00021 -0.00060 0.00003 0.00053 -0.00083 -0.00033 0.00012 0.00041 0.00000 -0.00003 0.00002 -0.00001 -0.00001 -0.00000 0.00003 0.00007 -0.00016 -0.00001 -0.00044 0.00043 0.00013 -0.00017 0.00010 0.00038 0.00017 -0.00009 -0.00013 -0.00008 -0.00004 0.00017 -0.00012 0.00011 0.00002 -0.00003 0.00001 0.00002 -0.00002 0.00003 -0.00001 0.00001 -0.00005 0.00004 0.00001 0.00001 -0.00002 0.00001 0.00002 -0.00003 0.00001 -0.00000 -0.00001 0.00001 0.00000 -0.00001 -0.00007 0.00004 -0.00001 0.00011 0.00022 0.00017 0.00026 0.00037 0.00032 -0.00005 -0.00006 0.00018 -0.00022 -0.00023 0.00001 -0.00012 -0.00013 0.00012 -0.00021 -0.00001 0.00001 0.00033 0.00023 0.00033 0.00027 0.00017 0.00028 0.00031 0.00022 0.00032 -0.00038 -0.00037 -0.00040 -0.00029 -0.00037 -0.00041 -0.00051 -0.00088 -0.00050 -0.00087 -0.00044 -0.00082 0.00022 0.00011 -0.00010 -0.00348 -0.00360 -0.00361 -0.00329 -0.00340 -0.00341 -0.00321 -0.00332 -0.00333 -0.00573 -0.00584 -0.00567 0.01363 0.01362 0.01341 0.00174 0.00143 0.00142 0.00035 0.00033 0.00038 -0.00111 -0.00128 -0.00110 -0.00767 -0.00782 -0.00793 -0.00403 -0.00408 -0.00400 -0.00022 -0.00015 0.00016 0.00023 0.00035 0.00013 -0.00003 -0.00025 -0.00012 0.00016 -0.00018 0.00010 -0.00016 -0.00023 0.00008 0.00001 0.00019 0.00000 0.00026 0.00008 0.00027 0.00029 0.00027 0.00020 0.00021 0.00020 -0.00005 -0.00033 0.00012 -0.00016</array>
<array dataType="xsd:double" dictRef="cc:delta.quad" size="236">0.00000 0.00005 -0.00002 0.00004 0.00005 -0.00002 -0.00004 -0.00001 0.00000 -0.00001 0.00001 0.00004 -0.00013 -0.00008 0.00004 -0.00002 0.00003 -0.00009 -0.00007 0.00017 -0.00001 0.00001 -0.00000 0.00000 0.00004 -0.00008 0.00003 -0.00002 0.00007 -0.00008 -0.00002 0.00001 0.00006 -0.00005 0.00003 0.00001 0.00003 -0.00002 0.00002 0.00005 -0.00001 0.00001 -0.00002 -0.00002 0.00001 -0.00000 0.00000 -0.00005 0.00012 0.00007 0.00014 -0.00028 -0.00000 -0.00001 -0.00001 -0.00000 -0.00008 0.00006 0.00004 0.00004 0.00002 -0.00008 0.00005 0.00003 -0.00005 -0.00013 0.00008 0.00020 0.00000 -0.00021 0.00007 -0.00006 0.00011 0.00005 -0.00044 0.00001 0.00008 0.00020 0.00059 -0.00004 -0.00052 0.00083 0.00033 -0.00012 -0.00040 -0.00000 0.00003 -0.00002 0.00001 0.00001 0.00000 -0.00003 -0.00006 0.00016 0.00001 0.00043 -0.00043 -0.00013 0.00017 -0.00009 -0.00038 -0.00017 0.00009 0.00013 0.00008 0.00004 -0.00016 0.00012 -0.00011 -0.00002 0.00003 -0.00001 -0.00002 0.00002 -0.00003 0.00001 -0.00001 0.00005 -0.00004 -0.00001 -0.00001 0.00002 -0.00001 -0.00002 0.00003 -0.00001 -0.00000 0.00001 -0.00001 -0.00000 0.00001 0.00007 -0.00004 0.00001 -0.00011 -0.00022 -0.00017 -0.00026 -0.00037 -0.00032 0.00005 0.00006 -0.00018 0.00022 0.00023 -0.00001 0.00012 0.00014 -0.00011 0.00021 0.00001 -0.00001 -0.00033 -0.00023 -0.00034 -0.00027 -0.00018 -0.00028 -0.00032 -0.00022 -0.00032 0.00040 0.00039 0.00042 0.00029 0.00037 0.00041 0.00053 0.00087 0.00052 0.00086 0.00047 0.00081 -0.00022 -0.00011 0.00011 0.00344 0.00356 0.00356 0.00325 0.00337 0.00337 0.00317 0.00328 0.00328 0.00565 0.00576 0.00559 -0.01345 -0.01343 -0.01322 -0.00176 -0.00144 -0.00143 -0.00035 -0.00034 -0.00038 0.00104 0.00121 0.00102 0.00744 0.00758 0.00768 0.00388 0.00393 0.00386 0.00019 0.00013 -0.00016 -0.00022 -0.00032 -0.00009 0.00003 0.00026 0.00011 -0.00015 0.00016 -0.00009 0.00016 0.00023 -0.00008 -0.00001 -0.00020 -0.00001 -0.00027 -0.00008 -0.00027 -0.00028 -0.00027 -0.00020 -0.00021 -0.00020 0.00007 0.00033 -0.00011 0.00015</array>
<array dataType="xsd:double" dictRef="cc:delta.total" size="236">-0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00001 0.00001 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00001 -0.00000 0.00000 -0.00000 -0.00001 0.00001 0.00001 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 -0.00001 0.00000 -0.00001 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00001 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00001 0.00001 0.00001 -0.00000 -0.00001 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 -0.00000 0.00002 0.00002 0.00002 0.00000 0.00001 0.00000 0.00002 -0.00001 0.00002 -0.00001 0.00002 -0.00001 -0.00000 0.00000 0.00000 -0.00004 -0.00004 -0.00004 -0.00004 -0.00004 -0.00004 -0.00004 -0.00004 -0.00004 -0.00008 -0.00008 -0.00008 0.00018 0.00019 0.00019 -0.00001 -0.00001 -0.00001 -0.00000 -0.00000 -0.00001 -0.00007 -0.00007 -0.00007 -0.00024 -0.00024 -0.00025 -0.00014 -0.00015 -0.00014 -0.00003 -0.00002 0.00001 0.00001 0.00003 0.00004 -0.00000 0.00000 -0.00002 0.00001 -0.00002 0.00001 0.00000 0.00000 -0.00000 -0.00000 -0.00001 -0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00002 -0.00001 0.00001 -0.00002</array>
<array dataType="xsd:double" dictRef="cc:newval" size="236">2.90984 2.88034 2.07671 2.67747 2.89873 2.06857 2.66707 2.06012 2.65698 2.81905 2.07528 2.71758 2.85654 2.06951 2.06508 2.69991 3.08400 2.85254 2.85314 3.07535 2.71096 2.05929 2.06542 2.06802 1.84977 3.09326 2.86319 2.84645 3.05705 2.71524 2.06685 2.05836 2.06564 2.57647 2.61058 2.58021 3.17357 2.55321 2.04534 2.73594 2.82646 2.62208 2.33052 1.92254 2.06783 2.06796 2.06241 1.77951 1.91421 1.99929 1.92977 1.90830 1.92770 1.76740 1.96686 1.94487 1.95503 1.87777 1.94324 1.94257 1.87448 1.95233 1.92680 1.86340 1.90460 1.90557 1.81739 1.98216 1.90023 1.93254 1.92140 1.93514 1.89931 1.92431 1.95611 1.90522 1.92800 1.85018 2.08851 1.91544 1.92293 1.67202 2.06589 1.93646 1.91074 2.03807 1.86193 1.92763 1.93350 1.91438 1.90837 1.91721 1.85387 2.05924 1.89769 1.92658 1.65990 2.05994 1.92959 1.94801 2.03745 1.92887 1.85983 1.92626 1.91181 1.92094 1.91520 2.06324 2.09823 2.12087 2.00307 2.17448 2.10563 2.15585 2.00611 2.12111 2.05302 2.15616 2.07398 2.00470 2.18732 2.09116 2.22863 2.02703 2.02748 1.93007 1.92998 1.92720 1.87627 1.89959 1.89959 0.62210 2.71369 -1.37026 -1.42344 0.66815 2.86739 2.68091 -1.51069 0.68855 1.40307 -0.62419 -2.71424 -2.84582 1.41010 -0.67995 -0.71978 -2.74704 1.44610 1.04276 3.02694 -1.12895 -2.52785 -0.41697 1.67244 1.65534 -2.51696 -0.42755 -0.48581 1.62508 -2.56871 -1.26355 3.09704 0.94865 0.02858 2.14937 -2.09102 1.38456 -1.71328 -0.74443 2.44092 -2.82701 0.35834 0.38092 -1.65008 2.51161 -1.05987 1.02924 3.08577 1.09131 -3.10277 -1.04623 -3.08974 -1.00063 1.05591 1.19099 -0.93017 -2.99200 0.52443 -1.78018 2.52682 2.87767 -1.42044 0.89138 3.03565 -1.16808 0.96018 -1.35935 0.92600 2.93874 3.00034 1.04212 -1.28790 1.02638 3.10219 -1.10254 -3.12134 0.01660 -0.02410 3.11384 3.11283 -0.04472 0.01647 -3.14109 0.01749 -3.13459 -3.12060 0.01050 0.00070 3.13489 -3.12391 0.01028 -0.00765 3.13482 3.14099 0.00027 2.11042 -2.09656 0.00690 -1.03866 1.03755 3.14101 -0.00177 -3.13287 3.13900 0.00790</array>
</list>
</module>
<module cmlx:templateRef="l103.itemconverge">
<list cmlx:templateRef="row">
<array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">|Maximum Force|RMS     Force|Maximum Displacement|RMS     Displacement|</array>
<array dataType="xsd:double" dictRef="g:value" size="4">0.000003 0.000001 0.000854 0.000170</array>
<array dataType="xsd:double" dictRef="g:threshold" size="4">0.000450 0.000300 0.001800 0.001200</array>
<array dataType="xsd:string" dictRef="g:converged" size="4">YES YES YES YES</array>
</list>
</module>
<module cmlx:templateRef="preddelta">
<list cmlx:templateRef="predicted">
<scalar dataType="xsd:double" dictRef="g:predchange">-4.079937e-10</scalar>
</list>
</module>
<module cmlx:templateRef="l103.optimizedparam">
<list cmlx:templateRef="completed">
<scalar dataType="xsd:string" dictRef="g:optimization">Optimization completed.</scalar>
<scalar dataType="xsd:string" dictRef="g:optimization">-- Stationary point found.</scalar>
</list>
<list cmlx:templateRef="length">
<array dataType="xsd:string" dictRef="g:symbol" size="47">R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47</array>
<array dataType="xsd:integer" dictRef="g:atom1" size="47">1 1 1 1 2 2 2 3 3 3 4 4 4 8 8 8 11 12 12 12 15 16 16 16 22 24 25 25 25 28 29 29 29 33 33 34 34 35 35 36 36 38 38 39 43 43 43</array>
<array dataType="xsd:integer" dictRef="g:atom2" size="47">2 4 20 24 3 21 22 5 7 33 6 7 8 9 10 11 12 13 14 15 16 17 18 19 23 25 26 27 28 29 30 31 32 34 35 39 42 36 37 38 43 39 40 41 44 45 46</array>
<array dataType="xsd:double" dictRef="cc:distance" size="47">1.5398 1.5242 1.0989 1.4169 1.5339 1.0946 1.4114 1.0902 1.406 1.4918 1.0982 1.4381 1.5116 1.0951 1.0928 1.4287 1.632 1.5095 1.5098 1.6274 1.4346 1.0897 1.093 1.0943 0.9789 1.6369 1.5151 1.5063 1.6177 1.4368 1.0937 1.0892 1.0931 1.3634 1.3815 1.3654 1.6794 1.3511 1.0823 1.4478 1.4957 1.3875 1.2333 1.0174 1.0943 1.0943 1.0914</array>
<array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="47">-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0</array>
</list>
<list cmlx:templateRef="angle">
<array dataType="xsd:string" dictRef="g:symbol" size="84">A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84</array>
<array dataType="xsd:integer" dictRef="g:atom1" size="84">2 2 2 4 4 20 1 1 1 3 3 21 2 2 2 5 5 7 1 1 1 6 6 7 3 4 4 4 9 9 10 8 11 11 11 13 13 14 12 15 15 15 17 17 18 2 1 24 24 24 26 26 27 25 28 28 28 30 30 31 3 3 34 33 33 39 33 33 36 35 35 38 36 36 39 34 34 38 36 36 36 44 44 45</array>
<array dataType="xsd:integer" dictRef="g:atom2" size="84">1 1 1 1 1 1 2 2 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 7 8 8 8 8 8 8 11 12 12 12 12 12 12 15 16 16 16 16 16 16 22 24 25 25 25 25 25 25 28 29 29 29 29 29 29 33 33 33 34 34 34 35 35 35 36 36 36 38 38 38 39 39 39 43 43 43 43 43 43</array>
<array dataType="xsd:integer" dictRef="g:atom3" size="84">4 20 24 20 24 24 3 21 22 21 22 22 5 7 33 7 33 33 6 7 8 7 8 8 4 9 10 11 10 11 11 12 13 14 15 14 15 15 16 17 18 19 18 19 19 23 25 26 27 28 27 28 28 29 30 31 32 31 32 32 34 35 35 39 42 42 36 37 37 38 43 43 39 40 40 38 41 41 44 45 46 45 46 46</array>
<array dataType="xsd:double" dictRef="cc:angle" size="84">101.9583 109.6762 114.5512 110.5676 109.3374 110.4491 101.2647 112.6926 111.4329 112.0147 107.5881 111.3397 111.301 107.3996 111.8602 110.3977 106.765 109.1252 109.1814 104.129 113.569 108.8755 110.7266 110.0883 110.8751 108.8225 110.2547 112.0768 109.1613 110.466 106.0077 119.6635 109.7471 110.1757 95.7996 118.3674 110.9504 109.4767 116.7731 106.6807 110.445 110.7812 109.6859 109.3415 109.848 106.2185 117.9861 108.7292 110.3856 95.105 118.0258 110.5572 111.6123 116.737 110.5162 106.5603 110.3666 109.5388 110.0616 109.7327 118.2149 120.2194 121.5167 114.7673 124.5887 120.6437 123.5212 114.9414 121.531 117.6296 123.539 118.8301 114.8607 125.3245 119.8148 127.691 116.1404 116.1661 110.5846 110.5796 110.4202 107.5023 108.8386 108.8387</array>
<array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="84">-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0</array>
</list>
<list cmlx:templateRef="dihed">
<array dataType="xsd:string" dictRef="g:symbol" size="104">D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104</array>
<array dataType="xsd:integer" dictRef="g:atom1" size="104">4 4 4 20 20 20 24 24 24 2 2 2 20 20 20 24 24 24 2 4 20 1 1 1 21 21 21 22 22 22 1 3 21 2 5 33 2 2 5 5 7 7 1 6 8 1 1 1 6 6 6 7 7 7 4 9 10 8 8 8 11 13 14 12 12 12 1 1 1 24 26 27 25 25 25 3 3 35 35 3 3 34 34 33 33 42 42 33 33 37 37 35 35 43 43 35 35 35 38 38 38 36 36 40</array>
<array dataType="xsd:integer" dictRef="g:atom2" size="104">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 4 4 4 8 8 8 11 11 11 12 12 12 15 15 15 24 24 24 25 25 25 28 28 28 33 33 33 33 33 33 33 33 34 34 34 34 35 35 35 35 36 36 36 36 36 36 36 36 36 36 38 38 38</array>
<array dataType="xsd:integer" dictRef="g:atom3" size="104">2 2 2 2 2 2 2 2 2 4 4 4 4 4 4 4 4 4 24 24 24 3 3 3 3 3 3 3 3 3 22 22 22 7 7 7 33 33 33 33 33 33 7 7 7 8 8 8 8 8 8 8 8 8 11 11 11 12 12 12 15 15 15 16 16 16 25 25 25 28 28 28 29 29 29 34 34 34 34 35 35 35 35 39 39 39 39 36 36 36 36 38 38 38 38 43 43 43 43 43 43 39 39 39</array>
<array dataType="xsd:integer" dictRef="g:atom4" size="104">3 21 22 3 21 22 3 21 22 6 7 8 6 7 8 6 7 8 25 25 25 5 7 33 5 7 33 5 7 33 23 23 23 4 4 4 34 35 34 35 34 35 3 3 3 9 10 11 9 10 11 9 10 11 12 12 12 13 14 15 16 16 16 17 18 19 26 27 28 29 29 29 30 31 32 39 42 39 42 36 37 36 37 38 41 38 41 38 43 38 43 39 40 39 40 44 45 46 44 45 46 34 41 34</array>
<array dataType="xsd:double" dictRef="cc:dihed" size="104">35.6438 155.483 -78.51 -81.5568 38.2824 164.2894 153.6047 -86.5561 39.4509 80.3901 -35.7635 -155.5144 -163.0536 80.7927 -38.9581 -41.2405 -157.3941 82.855 59.7456 173.4313 -64.6843 -144.8352 -23.8902 95.8236 94.8443 -144.2107 -24.4969 -27.8347 93.1103 -147.1759 -72.3975 177.4462 54.3522 1.6373 123.1497 -119.8066 79.3279 -98.1633 -42.6537 139.8552 -161.977 20.5318 21.8251 -94.5424 143.9045 -60.7238 58.9732 176.8044 62.5296 -177.7733 -59.9422 -177.0267 -57.3296 60.5015 68.2432 -53.2899 -171.4245 30.0374 -102.0078 144.7656 164.879 -81.3842 51.0732 173.9301 -66.9257 55.0146 -77.881 53.0603 168.3818 171.9202 59.7226 -73.7768 58.8157 177.7509 -63.163 -178.8381 0.9522 -1.3811 178.4091 178.3501 -2.5646 0.9435 -179.9713 1.003 -179.5993 -178.7963 0.6014 0.0399 179.6157 -178.987 0.5888 -0.4376 179.6119 179.9659 0.0155 120.9179 -120.1241 0.3953 -59.511 59.447 179.9663 -0.1023 -179.4998 179.8511</array>
<array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="104">-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0</array>
</list>
</module>
<scalar dictRef="l103.converged.count">1</scalar>
</module>
</module>
</module>
<module dictRef="cc:calculation" id="calculation">
<module dictRef="cc:userDefinedModule" id="otherComponents">
<module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
<module cmlx:templateRef="l202.orient">
<molecule cmlx:templateRef="atom" formalCharge="-2" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="-3.136088" y3="0.743908" z3="-0.140446">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a2" x3="-1.61423" y3="0.743908" z3="-0.140446">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="-1.145457" y3="2.191773" z3="-0.140446">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="-3.605294" y3="2.188228" z3="-0.244036">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a5" x3="-0.485971" y3="2.358833" z3="-0.96632">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a6" x3="-4.21704" y3="2.33585" z3="-1.169239">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a7" x3="-2.373197" y3="3.081341" z3="-0.273632">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a8" x3="-4.503104" y3="2.548522" z3="0.954182">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a9" x3="-5.52477" y3="2.348127" z3="0.70732">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a10" x3="-4.21916" y3="1.960829" z3="1.802056">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a11" x3="-4.350858" y3="3.936322" z3="1.263589">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="P" id="a12" x3="-5.189714" y3="4.874601" z3="0.105981">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a13" x3="-6.824253" y3="4.376023" z3="0.044334">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a14" x3="-4.470278" y3="4.66094" z3="-1.430528">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a15" x3="-5.113466" y3="6.525116" z3="0.54653">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a16" x3="-5.695951" y3="7.322621" z3="-0.487684">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a17" x3="-5.804268" y3="8.329829" z3="-0.143158">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a18" x3="-5.062469" y3="7.30676" z3="-1.349861">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a19" x3="-6.656961" y3="6.928006" z3="-0.743885">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a20" x3="-3.509087" y3="0.294137" z3="0.755924">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a21" x3="-1.252245" y3="0.246223" z3="0.734869">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a22" x3="-1.130456" y3="0.078778" z3="-1.310259">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a23" x3="-1.220353" y3="-0.870553" z3="-1.199397">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a24" x3="-3.637041" y3="-0.026055" z3="-1.236395">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="P" id="a25" x3="-4.421183" y3="-1.42401" z3="-0.640625">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a26" x3="-3.881063" y3="-1.746564" z3="0.949447">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a27" x3="-6.111749" y3="-1.167281" z3="-0.627282">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a28" x3="-4.05488" y3="-2.75614" z3="-1.648272">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a29" x3="-5.063794" y3="-3.758613" z3="-1.49981">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a30" x3="-5.950984" y3="-3.450418" z3="-2.012459">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a31" x3="-4.714135" y3="-4.680763" z3="-1.914873">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a32" x3="-5.281185" y3="-3.894759" z3="-0.46101">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a33" x3="-0.449874" y3="2.489419" z3="1.1199">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a34" x3="0.836273" y3="2.138266" z3="1.323719">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a35" x3="-1.061969" y3="3.128986" z3="2.13737">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a36" x3="-0.390183" y3="3.416446" z3="3.354457">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a37" x3="-2.11378" y3="3.419962" z3="1.979659">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a38" x3="0.89595" y3="3.065328" z3="3.55831">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a39" x3="1.508043" y3="2.425739" z3="2.540789">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a40" x3="1.468326" y3="3.254739" z3="4.662883">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a41" x3="2.462275" y3="2.146065" z3="2.646731">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="S" id="a42" x3="1.558634" y3="1.394644" z3="0.149483">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a43" x3="-1.100409" y3="4.147499" z3="4.508901">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a44" x3="-1.353854" y3="3.444004" z3="5.274251">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a45" x3="-0.449063" y3="4.894356" z3="4.912452">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a46" x3="-1.991777" y3="4.612074" z3="4.142115">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C12H18N2O11P2S"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">442.14772199999993</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/12C.2N.11O.2P.S.18H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;2;3;4;8;16;29;34;35;36;38;43;33;39;7;11;13;14;15;22;24;26;27;28;40;12;25;42;5;6;9;10;17;18;19;20;21;23;30;31;32;37;41;44;45;46/rA:46nC0C0C0C0H0H0O0C0H0H0O0P0O0O0O0C0H0H0H0H0H0O0H0O0P0O0O0O0C0H0H0H0N0C0C0C0H0C0N0O0H0S0C0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-3.1361,.7439,-.1404;-1.6142,.7439,-.1404;-1.1455,2.1918,-.1404;-3.6053,2.1882,-.244;-.486,2.3588,-.9663;-4.217,2.3359,-1.1692;-2.3732,3.0813,-.2736;-4.5031,2.5485,.9542;-5.5248,2.3481,.7073;-4.2192,1.9608,1.8021;-4.3509,3.9363,1.2636;-5.1897,4.8746,.106;-6.8243,4.376,.0443;-4.4703,4.6609,-1.4305;-5.1135,6.5251,.5465;-5.696,7.3226,-.4877;-5.8043,8.3298,-.1432;-5.0625,7.3068,-1.3499;-6.657,6.928,-.7439;-3.5091,.2941,.7559;-1.2522,.2462,.7349;-1.1305,.0788,-1.3103;-1.2204,-.8706,-1.1994;-3.637,-.0261,-1.2364;-4.4212,-1.424,-.6406;-3.8811,-1.7466,.9494;-6.1117,-1.1673,-.6273;-4.0549,-2.7561,-1.6483;-5.0638,-3.7586,-1.4998;-5.951,-3.4504,-2.0125;-4.7141,-4.6808,-1.9149;-5.2812,-3.8948,-.461;-.4499,2.4894,1.1199;.8363,2.1383,1.3237;-1.062,3.129,2.1374;-.3902,3.4164,3.3545;-2.1138,3.42,1.9797;.896,3.0653,3.5583;1.508,2.4257,2.5408;1.4683,3.2547,4.6629;2.4623,2.1461,2.6467;1.5586,1.3946,.1495;-1.1004,4.1475,4.5089;-1.3539,3.444,5.2743;-.4491,4.8944,4.9125;-1.9918,4.6121,4.1421;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.distmat">
<array dataType="xsd:double" dictRef="cc:distance" size="1081">0.000000 1.521858 0.000000 2.461488 1.521861 0.000000 1.522152 2.461936 2.462020 0.000000 3.211413 2.136123 1.070000 3.206397 0.000000 2.182006 3.219831 3.242498 1.118940 3.736654 0.000000 2.462384 2.461171 1.521977 1.522035 2.136225 2.181198 0.000000 2.514672 3.577770 3.549545 1.540000 4.456643 2.153132 2.515537 0.000000 2.999671 4.310980 4.463354 2.148263 5.309490 2.287309 3.381165 1.070000 0.000000 2.535203 3.469851 3.643391 2.148263 4.664656 2.994869 2.995264 1.070000 1.747303 0.000000 3.693033 4.433053 3.910161 2.425826 4.732686 2.915145 2.646731 1.430000 2.051796 2.051796 0.000000 4.619602 5.468769 4.859455 3.138391 5.440966 3.002921 3.360454 2.569342 2.618576 3.508377 1.710000 0.000000 5.179668 6.353797 6.087184 3.902730 6.727875 3.525993 4.646418 3.091167 2.498113 3.963491 2.792418 1.710000 0.000000 4.334457 5.016419 4.337687 2.875807 4.624920 2.353391 2.869022 3.185942 3.321363 4.219392 2.792418 1.710000 2.792418 0.000000 6.148523 6.792566 5.915648 4.659204 6.407834 4.614910 4.476754 4.043763 4.200270 4.817557 2.792418 1.710000 2.792418 2.792419 0.000000 7.067739 7.749869 6.866816 5.549072 7.211946 5.245910 5.392120 5.127755 5.118879 6.014369 4.042678 2.569342 3.199773 3.078274 1.430000 0.000000 8.041480 8.666177 7.705859 6.524180 8.038326 6.284896 6.271834 6.026665 6.048321 6.845480 4.836759 3.518288 4.087555 4.110669 2.051796 1.070000 0.000000 6.945838 7.511595 6.555056 5.435585 6.750809 5.045525 5.122950 5.316232 5.388298 6.262965 4.323929 2.837440 3.692816 2.712482 2.051796 1.070000 1.747303 0.000000 7.141691 8.002271 7.291962 5.659330 7.681662 5.217474 5.776556 5.167436 4.935903 6.090775 4.277643 2.662998 2.676171 3.223763 2.051796 1.070000 1.747303 1.747303 0.000000 1.070000 2.143887 3.160893 2.144005 4.045778 2.894139 3.180996 2.471767 2.878232 2.091999 3.772508 4.922152 5.306457 4.977292 6.437623 7.465154 8.405270 7.484933 7.494448 0.000000 2.136055 1.070000 2.136058 3.204135 2.818571 4.096606 3.211153 3.989582 4.761641 3.589059 4.847451 6.109095 6.969889 5.876598 7.373534 8.444913 9.318612 8.289457 8.720314 2.257448 0.000000 2.415248 1.430000 2.415251 3.422198 2.394223 3.826391 3.410922 4.754166 5.341402 4.771658 5.645913 6.440748 7.260893 5.671427 7.801751 8.601955 9.554397 8.228367 8.819011 3.158065 2.055583 0.000000 2.719909 1.970533 3.241115 3.994596 3.320026 4.388856 4.219426 5.206192 5.702936 5.100812 6.242789 7.103986 7.776704 6.419723 8.538180 9.362991 10.333196 9.036202 9.517442 3.227706 2.233740 0.960000 0.000000 1.430000 2.426048 3.511104 2.426692 3.961044 2.433003 3.490003 3.489576 3.602539 3.676786 4.739186 5.313115 5.583626 4.764441 6.948129 7.668293 8.701313 7.470937 7.597463 2.021937 3.106005 2.509863 2.560259 0.000000 2.569342 3.581764 4.904533 3.724409 5.468260 3.802322 4.962572 4.281488 4.154983 4.179072 5.688949 6.389097 6.315402 6.136202 8.067044 8.840360 9.863964 8.782973 8.646706 2.394639 3.837165 3.679085 3.296036 1.710000 0.000000 2.818741 3.539610 4.917509 4.121047 5.661368 4.611703 5.203675 4.339899 4.418924 3.819164 5.710918 6.801751 6.853295 6.860580 8.372685 9.359982 10.316307 9.415158 9.263969 2.083333 3.305741 4.000498 3.530482 2.792418 1.710000 0.000000 3.569903 4.910939 6.015339 4.205786 6.648143 4.019399 5.670328 4.346949 3.805759 4.389607 5.720393 6.155661 5.629116 6.108011 7.845214 8.501224 9.514412 8.569276 8.114464 3.289810 5.241014 5.180000 4.933672 2.792418 1.710000 2.792418 0.000000 3.920211 4.525555 5.934654 5.159533 6.274162 5.117043 6.228473 5.925632 5.810588 5.846499 7.304491 7.911603 7.835949 7.431894 9.595806 10.277232 11.323623 10.117621 10.068338 3.922019 4.748506 4.086963 3.433871 2.792418 1.710000 2.792418 2.792419 0.000000 5.082973 5.832671 7.253159 6.250528 7.659257 6.161878 7.451697 6.790906 6.509700 6.657908 8.207111 8.782186 8.464980 8.440731 10.485469 11.145302 12.186847 11.066389 10.831132 4.891853 5.963255 5.498422 4.816968 4.004622 2.569342 3.383202 2.928227 1.430000 0.000000 5.387062 6.316980 7.644072 6.357980 8.044139 6.099055 7.647742 6.847233 6.418877 6.843343 8.237526 8.623993 8.139175 8.265910 10.332529 10.883397 11.928539 10.814129 10.479473 5.258184 6.579599 6.015464 5.449371 4.205101 2.885923 3.995070 2.675308 2.051796 1.070000 0.000000 5.921645 6.495002 7.944545 7.155715 8.266379 7.073608 8.271875 7.780654 7.545748 7.627012 9.191776 9.778292 9.503497 9.357429 11.479970 12.127739 13.175844 12.005885 11.828326 5.773640 6.578830 5.988451 5.218824 4.825637 3.509411 4.184240 3.994467 2.051796 1.070000 1.747303 0.000000 5.120686 5.921701 7.365655 6.313352 7.896633 6.360383 7.560256 6.642594 6.355938 6.366889 8.072520 8.788146 8.428657 8.648556 10.469817 11.225076 12.239902 11.238858 10.913524 4.708302 5.900018 5.808508 5.116776 4.274494 2.622301 2.926512 2.855979 2.051796 1.070000 1.747303 1.747303 0.000000 3.442532 2.447653 1.470000 3.450756 2.090615 4.410814 2.447749 4.057047 5.093599 3.866815 4.163154 5.402148 6.734154 5.232956 6.193924 7.312010 8.023419 7.112139 7.855105 3.782925 2.413291 3.489993 4.154778 4.694439 5.846851 5.453958 6.962824 6.940802 8.196892 8.680757 8.877233 8.160794 0.000000 4.457317 3.176945 2.464528 4.710401 2.653538 5.638250 3.706970 5.367851 6.394284 5.081111 5.490260 6.729260 8.082577 6.489164 7.432891 8.533971 9.196955 8.285923 9.130452 4.754509 2.878972 3.879092 4.432699 5.590081 6.647504 6.122519 7.937761 7.530692 8.806605 9.403741 9.369881 8.775303 1.348713 0.000000 3.896025 3.343955 2.464504 3.608964 3.249277 4.638664 2.744908 3.684872 4.750934 3.383028 3.497439 4.920568 6.256183 5.166561 5.520788 6.778736 7.398580 6.754152 7.351062 3.991635 3.211469 4.603760 5.211085 5.288437 6.303281 5.755817 7.183417 7.610736 8.756865 9.187606 9.526340 8.595717 1.348685 2.290606 0.000000 5.186213 4.566739 3.779499 4.979419 4.449364 6.022986 4.148213 4.840531 5.874745 4.380620 4.508764 5.976145 7.298970 6.410306 6.313295 7.627019 8.104750 7.687354 8.270427 5.121402 4.201870 5.783392 6.309131 6.593089 7.459200 6.680344 8.342729 8.749750 9.843172 10.338285 10.584290 9.588191 2.419957 2.694779 1.419589 0.000000 3.563877 3.450457 2.634566 2.947304 3.529100 3.938853 2.293312 2.742240 3.795067 2.567730 2.404975 3.884329 5.181515 4.326949 4.549061 5.843841 6.498681 5.906579 6.353311 3.635270 3.516299 4.791033 5.414159 4.953620 5.971102 5.556762 6.619871 7.421185 8.505364 8.824016 9.356867 8.336333 2.091334 3.282653 1.102654 2.204738 0.000000 5.943663 5.036943 4.314075 5.957210 4.783422 7.001752 5.037000 6.016508 7.061740 5.519846 5.792528 7.226849 8.582977 7.498726 7.560029 8.828803 9.290251 8.808101 9.511868 5.910772 4.531437 6.060427 6.527303 7.286553 8.127554 7.265007 9.194673 9.247092 10.376382 10.971278 11.019561 10.136802 2.844075 2.420001 2.420036 1.348695 3.417072 0.000000 5.620101 4.445916 3.779527 5.827339 4.034896 6.822680 4.838884 6.218222 7.268293 5.793334 6.183836 7.535592 8.914205 7.517167 8.039051 9.222181 9.774034 9.062734 9.885685 5.735944 3.953584 5.224986 5.683192 6.837419 7.752270 6.998781 9.000427 8.680220 9.887451 10.530830 10.443696 9.749518 2.420004 1.419568 2.694858 2.290593 3.797492 1.348733 0.000000 7.111742 6.235254 5.570792 7.138412 6.025766 8.196426 6.257519 7.064785 8.085284 6.496617 6.773674 8.229143 9.557989 8.624041 8.423759 9.716114 10.086883 9.758240 10.428150 6.985995 5.646412 7.246987 7.655936 8.463442 9.203489 8.210883 10.246836 10.318292 11.394493 12.023539 12.019230 11.087177 4.100968 3.577152 3.577209 2.278636 4.478669 1.258400 2.278618 0.000000 6.409062 5.133449 4.559186 6.721139 4.668144 7.694862 5.725823 7.179359 8.221620 6.737162 7.178919 8.511947 9.898726 8.426679 8.998821 10.157654 10.693837 9.961289 10.840834 6.531611 4.589365 5.730546 6.120003 7.549730 8.422241 7.633561 9.757628 9.216939 10.425964 11.127066 10.904800 10.301008 3.306012 2.096259 3.694032 3.201758 4.796673 2.032091 1.000000 2.506383 0.000000 4.748466 3.251858 2.834004 5.239350 2.520929 5.998609 4.299217 6.222832 7.169025 6.036096 6.528664 7.592903 8.897891 7.036540 8.425930 9.390201 10.119029 9.002230 9.945461 5.221176 3.092343 3.330699 3.830582 5.561841 6.657874 6.332253 8.124136 7.209193 8.551770 9.194726 8.973280 8.667964 2.484823 1.566400 3.718493 4.261154 4.575814 3.853627 2.604623 4.882508 2.759973 0.000000 6.111044 5.784883 5.044138 5.718707 5.792660 6.725827 5.062540 5.174079 6.104485 4.672809 4.598051 6.052834 7.262712 6.848099 6.120301 7.494416 7.826867 7.746222 8.136231 5.893638 5.430131 7.100565 7.601309 7.540655 8.281720 7.425747 8.929770 9.710814 10.692036 11.125851 11.500526 10.337157 3.828545 4.234754 2.581281 1.540000 2.820160 2.461740 3.693500 2.723808 4.490671 5.801142 0.000000 6.307600 6.056175 5.561516 6.090768 6.393399 7.137535 5.652397 5.420578 6.281269 4.739823 5.030887 6.593288 7.625350 7.493137 6.780802 8.191298 8.545513 8.517838 8.745237 5.914556 5.553568 7.398002 7.780832 7.722873 8.251778 7.213370 8.872970 9.677740 10.560741 11.034619 11.357237 10.108144 4.357413 4.701948 3.166143 2.148263 3.381184 2.854728 4.086458 2.893838 4.811585 6.240650 1.070000 0.000000 7.069519 6.641959 5.772408 6.623767 6.402359 7.598063 5.821064 6.132380 7.066061 5.700331 5.427341 6.751023 8.038052 7.513857 6.593732 7.911243 8.126493 8.143695 8.641057 6.913934 6.300987 7.897862 8.437047 8.495997 9.302481 8.460842 9.974874 10.703976 11.716941 12.159802 12.509441 11.378578 4.490788 4.703948 3.345634 2.148263 3.680543 2.643502 3.943237 2.535156 4.600270 6.242172 1.070000 1.747303 0.000000 5.883238 5.783215 4.991437 5.264674 5.782790 6.192211 4.689077 4.552794 5.422667 4.179259 3.782568 5.156171 6.340375 6.099156 5.131559 6.519433 6.835229 6.844872 7.141461 5.693251 5.587207 7.142901 7.693247 7.290233 8.075329 7.361712 8.551156 9.595601 10.551635 10.888429 11.421697 10.216417 4.002114 4.696908 2.661409 2.148263 2.472293 3.327494 4.426403 3.753115 5.306218 6.236857 1.070000 1.747303 1.747303 0.000000</array>
</module>
<module cmlx:templateRef="l202.stoich">
<scalar cmlx:templateRef="stoich" dataType="xsd:string" dictRef="g:stoichiometry">C12H18N2O11P2S(2-)</scalar>
<scalar dataType="xsd:string" dictRef="cc:pointgroup">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
<scalar dataType="xsd:string" dictRef="cc:largestabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
<scalar dataType="xsd:string" dictRef="cc:largestconciseabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
</module>
<module cmlx:templateRef="l202.orient">
<molecule cmlx:templateRef="atom" formalCharge="-2" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="-1.391049" y3="-0.466487" z3="-0.080258">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a2" x3="-0.529008" y3="-1.563142" z3="-0.688769">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="0.731064" y3="-0.915081" z3="-1.244013">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="-0.711887" y3="0.868616" z3="-0.350783">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a5" x3="0.843343" y3="-1.168564" z3="-2.277473">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a6" x3="-1.378262" y3="1.530939" z3="-0.958482">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a7" x3="0.586027" y3="0.59276" z3="-1.096378">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a8" x3="-0.427388" y3="1.604227" z3="0.971918">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a9" x3="-1.256152" y3="2.236272" z3="1.21393">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a10" x3="-0.284187" y3="0.888583" z3="1.75438">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a11" x3="0.75301" y3="2.399022" z3="0.830982">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="P" id="a12" x3="0.395276" y3="3.793752" z3="-0.091435">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a13" x3="-0.901135" y3="4.640182" z3="0.634496">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a14" x3="-0.043567" y3="3.330758" z3="-1.677988">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a15" x3="1.772797" y3="4.805048" z3="-0.153228">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a16" x3="1.519767" y3="5.903049" z3="-1.033723">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a17" x3="2.307133" y3="6.621867" z3="-0.942862">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a18" x3="1.475139" y3="5.548499" z3="-2.042288">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a19" x3="0.587699" y3="6.36036" z3="-0.77485">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a20" x3="-1.503148" y3="-0.621166" z3="0.972551">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a21" x3="-0.267281" y3="-2.277323" z3="0.063789">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a22" x3="-1.244493" y3="-2.211677" z3="-1.743466">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a23" x3="-1.897033" y3="-2.807798" z3="-1.368725">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a24" x3="-2.7027" y3="-0.486465" z3="-0.649533">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="P" id="a25" x3="-3.835864" y3="-0.95119" z3="0.543811">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a26" x3="-3.027495" y3="-1.767949" z3="1.810122">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a27" x3="-4.611044" y3="0.4401" z3="1.166313">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a28" x3="-5.002214" y3="-1.990444" z3="-0.151658">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a29" x3="-6.194706" y3="-1.96542" z3="0.637162">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a30" x3="-6.718964" y3="-1.049222" z3="0.462133">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a31" x3="-6.819056" y3="-2.791009" z3="0.366073">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a32" x3="-5.938382" y3="-2.037305" z3="1.673517">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a33" x3="1.903378" y3="-1.378455" z3="-0.487797">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a34" x3="2.483498" y3="-2.57101" z3="-0.733356">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a35" x3="2.459253" y3="-0.634938" z3="0.490537">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a36" x3="3.591396" y3="-1.082443" z3="1.220759">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a37" x3="1.991529" y3="0.34175" z3="0.69829">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a38" x3="4.171547" y3="-2.274968" z3="0.975227">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a39" x3="3.615632" y3="-3.018491" z3="-0.003146">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a40" x3="5.128799" y3="-2.702887" z3="1.671017">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a41" x3="4.012275" y3="-3.910399" z3="-0.220345">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="S" id="a42" x3="1.847229" y3="-3.444337" z3="-1.867406">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a43" x3="4.216893" y3="-0.22383" z3="2.33572">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a44" x3="3.938576" y3="-0.620288" z3="3.289796">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a45" x3="5.282601" y3="-0.237419" z3="2.240952">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a46" x3="3.864101" y3="0.782786" z3="2.251093">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C12H18N2O11P2S"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">442.14772199999993</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/12C.2N.11O.2P.S.18H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;2;3;4;8;16;29;34;35;36;38;43;33;39;7;11;13;14;15;22;24;26;27;28;40;12;25;42;5;6;9;10;17;18;19;20;21;23;30;31;32;37;41;44;45;46/rA:46nC0C0C0C0H0H0O0C0H0H0O0P0O0O0O0C0H0H0H0H0H0O0H0O0P0O0O0O0C0H0H0H0N0C0C0C0H0C0N0O0H0S0C0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.391,-.4665,-.0803;-.529,-1.5631,-.6888;.7311,-.9151,-1.244;-.7119,.8686,-.3508;.8433,-1.1686,-2.2775;-1.3783,1.5309,-.9585;.586,.5928,-1.0964;-.4274,1.6042,.9719;-1.2562,2.2363,1.2139;-.2842,.8886,1.7544;.753,2.399,.831;.3953,3.7938,-.0914;-.9011,4.6402,.6345;-.0436,3.3308,-1.678;1.7728,4.805,-.1532;1.5198,5.903,-1.0337;2.3071,6.6219,-.9429;1.4751,5.5485,-2.0423;.5877,6.3604,-.7749;-1.5031,-.6212,.9726;-.2673,-2.2773,.0638;-1.2445,-2.2117,-1.7435;-1.897,-2.8078,-1.3687;-2.7027,-.4865,-.6495;-3.8359,-.9512,.5438;-3.0275,-1.7679,1.8101;-4.611,.4401,1.1663;-5.0022,-1.9904,-.1517;-6.1947,-1.9654,.6372;-6.719,-1.0492,.4621;-6.8191,-2.791,.3661;-5.9384,-2.0373,1.6735;1.9034,-1.3785,-.4878;2.4835,-2.571,-.7334;2.4593,-.6349,.4905;3.5914,-1.0824,1.2208;1.9915,.3417,.6983;4.1715,-2.275,.9752;3.6156,-3.0185,-.0031;5.1288,-2.7029,1.671;4.0123,-3.9104,-.2203;1.8472,-3.4443,-1.8674;4.2169,-.2238,2.3357;3.9386,-.6203,3.2898;5.2826,-.2374,2.241;3.8641,.7828,2.2511;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1341160 0.1149698 0.0722327</array>
</module>
</module>
<module cmlx:templateRef="l601.popanal" dictRef="cc:userDefinedModule">
<array dataType="xsd:double" dictRef="g:alphaocc" size="120">-89.88130 -78.23633 -78.23470 -19.69900 -19.69639 -19.69249 -19.69209 -19.68304 -19.65576 -19.62405 -19.61822 -19.61689 -19.61555 -19.61132 -14.85974 -14.83228 -10.69116 -10.66643 -10.66350 -10.63142 -10.61670 -10.61442 -10.61390 -10.60644 -10.58678 -10.58674 -10.56740 -10.53521 -8.23252 -7.00750 -7.00574 -6.15340 -6.14986 -6.14688 -5.12567 -5.12486 -5.12391 -5.12327 -5.12308 -5.12115 -1.19991 -1.19098 -1.18633 -1.17111 -1.16467 -1.15924 -1.14704 -1.12919 -1.05858 -1.03866 -1.03507 -1.00583 -1.00188 -0.94164 -0.89812 -0.88768 -0.86657 -0.81145 -0.79469 -0.78918 -0.78301 -0.76807 -0.73325 -0.70050 -0.69155 -0.67445 -0.65601 -0.65252 -0.63851 -0.62037 -0.60635 -0.59976 -0.59511 -0.57490 -0.56665 -0.55791 -0.54788 -0.54377 -0.54344 -0.54168 -0.53692 -0.53166 -0.52515 -0.51429 -0.50679 -0.50392 -0.49620 -0.48582 -0.47959 -0.47248 -0.46304 -0.46148 -0.45609 -0.44608 -0.44450 -0.44145 -0.42856 -0.42653 -0.42596 -0.42328 -0.41145 -0.40209 -0.39621 -0.39239 -0.38058 -0.37838 -0.37306 -0.37062 -0.36634 -0.36240 -0.35855 -0.35649 -0.35315 -0.34018 -0.33497 -0.33232 -0.33105 -0.32674 -0.28984 -0.27236</array>
<array dataType="xsd:double" dictRef="g:alphavirt" size="514">-0.03027 -0.00054 0.00431 0.00785 0.01737 0.02544 0.03110 0.03370 0.03507 0.03602 0.03913 0.04265 0.04518 0.05326 0.05523 0.06113 0.06174 0.06607 0.06819 0.07093 0.07547 0.07969 0.08315 0.08919 0.09306 0.09564 0.09699 0.09892 0.10352 0.10483 0.10574 0.10887 0.11485 0.11551 0.11975 0.12057 0.12344 0.12668 0.12919 0.13034 0.13203 0.13715 0.14101 0.14502 0.14577 0.14663 0.14944 0.15480 0.15832 0.15979 0.16020 0.16655 0.16790 0.17299 0.17812 0.17997 0.18290 0.18342 0.18792 0.19058 0.19339 0.19957 0.20114 0.20279 0.20645 0.20773 0.21018 0.21590 0.21854 0.22204 0.22496 0.22746 0.23031 0.23167 0.23421 0.23780 0.24124 0.24476 0.24710 0.24850 0.25191 0.25462 0.25970 0.26085 0.26259 0.26838 0.27101 0.27249 0.27286 0.27625 0.28026 0.28376 0.28518 0.28789 0.29267 0.29514 0.29583 0.30039 0.30385 0.30553 0.30896 0.31143 0.31418 0.31441 0.31958 0.32234 0.32506 0.32975 0.33246 0.33548 0.34007 0.34069 0.34376 0.34577 0.34990 0.35164 0.35675 0.36083 0.36603 0.37142 0.37248 0.37428 0.37642 0.37989 0.38511 0.38651 0.38902 0.39514 0.39792 0.40075 0.40205 0.40370 0.40866 0.41066 0.41346 0.41705 0.42285 0.42612 0.42755 0.43114 0.43618 0.44258 0.44518 0.45451 0.45766 0.46950 0.47003 0.47270 0.47443 0.48175 0.48496 0.49094 0.50620 0.50974 0.51146 0.52035 0.52526 0.54075 0.54419 0.57064 0.59231 0.59530 0.60764 0.62008 0.62354 0.63377 0.63711 0.64502 0.65190 0.66070 0.66942 0.68591 0.69063 0.70078 0.70851 0.72543 0.73372 0.73455 0.73914 0.74182 0.75446 0.75691 0.76333 0.76941 0.77244 0.77757 0.78705 0.79557 0.80042 0.80271 0.81170 0.81976 0.83232 0.83909 0.85242 0.85521 0.85557 0.86090 0.86843 0.88077 0.88622 0.89601 0.89917 0.91016 0.92410 0.93065 0.94614 0.94792 0.95621 0.96998 0.98450 0.99300 0.99840 1.00372 1.00672 1.00936 1.01201 1.01571 1.02405 1.02943 1.03888 1.04542 1.04857 1.05465 1.06042 1.07072 1.09229 1.09562 1.10073 1.11330 1.13042 1.14336 1.15589 1.15698 1.16460 1.17500 1.18308 1.19036 1.19655 1.20035 1.20578 1.21813 1.22518 1.23901 1.24160 1.24765 1.25197 1.26393 1.27467 1.27534 1.28199 1.28983 1.29265 1.29921 1.31274 1.31513 1.32478 1.33550 1.34039 1.34170 1.36331 1.36572 1.37247 1.37627 1.38312 1.38668 1.39353 1.39541 1.40530 1.41143 1.41279 1.41751 1.41996 1.42417 1.42828 1.43223 1.44430 1.45141 1.45529 1.46117 1.46438 1.47150 1.48219 1.48651 1.49116 1.49174 1.50539 1.51235 1.51360 1.52405 1.52947 1.53562 1.55242 1.55664 1.56465 1.57759 1.58482 1.59297 1.59651 1.60319 1.61304 1.62062 1.62283 1.65100 1.65604 1.66787 1.66923 1.69042 1.69714 1.71231 1.72821 1.73648 1.74531 1.75384 1.75839 1.76884 1.78278 1.78659 1.79549 1.80350 1.80742 1.82757 1.83073 1.83512 1.83874 1.84209 1.85564 1.86043 1.86197 1.87448 1.87695 1.88401 1.89103 1.90230 1.91093 1.92057 1.92319 1.93123 1.94210 1.95163 1.95834 1.96572 1.96857 1.97662 1.98004 1.99154 2.00194 2.00241 2.00837 2.01312 2.01502 2.02237 2.03666 2.03911 2.04571 2.05215 2.05798 2.06293 2.06594 2.07656 2.08737 2.09153 2.09368 2.09901 2.10252 2.10849 2.11280 2.11832 2.12373 2.13497 2.14306 2.15010 2.15365 2.16347 2.17435 2.18036 2.18653 2.19554 2.19906 2.20585 2.21161 2.21669 2.22242 2.23227 2.23869 2.24609 2.25365 2.27206 2.28131 2.29022 2.30590 2.32014 2.34131 2.34658 2.35785 2.36655 2.37078 2.38039 2.39164 2.41762 2.41951 2.43082 2.47222 2.48153 2.49873 2.51532 2.52283 2.53359 2.53752 2.55004 2.56687 2.57793 2.59535 2.60583 2.60681 2.61111 2.61668 2.62548 2.63072 2.63339 2.65235 2.65902 2.66102 2.66715 2.67280 2.67719 2.67783 2.68821 2.69804 2.70334 2.71533 2.72395 2.73437 2.73814 2.74270 2.76176 2.76854 2.77721 2.78385 2.81220 2.82029 2.83255 2.83787 2.86141 2.87144 2.88839 2.91160 2.91732 2.93536 2.94069 2.94494 2.94963 2.95545 2.96235 2.96578 2.98873 2.99572 3.00715 3.02375 3.04308 3.06753 3.08546 3.12084 3.15332 3.20895 3.25518 3.29989 3.30688 3.31234 3.32763 3.35804 3.39057 3.44510 3.46896 3.47686 3.47713 3.48436 3.48874 3.49119 3.50812 3.51669 3.53624 3.55055 3.58081 3.63830 3.67762 3.68453 3.72783 4.10917 4.20642 4.22716 4.23995 4.26456 4.32413 4.33679 4.36733 4.41008 4.42908 4.43058 4.45754 4.52119 4.52798 4.53813 4.58110 4.58683 4.59342 4.61353 4.69950 4.72167 4.72867 4.78478 4.89921 4.95999 5.01440</array>
<module cmlx:templateRef="l601.state">
<scalar dataType="xsd:string" dictRef="g:l601.state">1-A.</scalar>
</module>
<list cmlx:templateRef="multipole" dictRef="cc:multipole">
<array dataType="xsd:double" dictRef="cc:dipole" size="3">12.1378 -12.1883 -2.3882</array>
<scalar dataType="xsd:double" dictRef="x:dipole">17.3662</scalar>
<array dataType="xsd:double" dictRef="cc:quadrupole" size="3">-285.9312 -279.6083 -231.0019</array>
<array dataType="xsd:double" dictRef="cc:quadrupole" size="3">40.5598 7.5928 5.1877</array>
<array dataType="xsd:double" dictRef="cc:quadrupole" size="6">-20.4174 -14.0945 34.5119 40.5598 7.5928 5.1877</array>
<array dataType="xsd:double" dictRef="cc:octapole" size="10">-103.2511 -156.5539 -1.6738 42.7194 38.8596 -172.3717 18.3779 31.1363 -55.3864 34.1948</array>
<array dataType="xsd:double" dictRef="cc:hexadecapole" size="15">-11196.2714 -8827.2444 -1848.4956 1284.6822 -287.5654 813.3903 -369.2249 68.9649 52.4789 -3292.6715 -2314.9883 -1941.5889 215.7633 -111.3676 147.1470</array>
</list>
</module>
<module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
<module cmlx:templateRef="l202.orient">
<molecule cmlx:templateRef="atom" formalCharge="-2" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="-3.067049" y3="1.07359" z3="0.304069">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a2" x3="-1.623665" y3="0.895896" z3="-0.202011">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="-1.031156" y3="2.280309" z3="0.090072">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="-3.355413" y3="2.523648" z3="-0.0666">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a5" x3="-0.312269" y3="2.572944" z3="-0.67546">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a6" x3="-3.620896" y3="2.578084" z3="-1.130829">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a7" x3="-2.099023" y3="3.19386" z3="0.134347">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a8" x3="-4.427391" y3="3.163648" z3="0.785601">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a9" x3="-5.360802" y3="2.605397" z3="0.657448">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a10" x3="-4.137319" y3="3.140475" z3="1.838936">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a11" x3="-4.620617" y3="4.541383" z3="0.460366">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="P" id="a12" x3="-5.266087" y3="4.947844" z3="-0.982382">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a13" x3="-6.204734" y3="3.860269" z3="-1.445748">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a14" x3="-4.182042" y3="5.410009" z3="-1.926206">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a15" x3="-6.094503" y3="6.23706" z3="-0.434567">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a16" x3="-6.58773" y3="7.154872" z3="-1.420656">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a17" x3="-7.200997" y3="7.883399" z3="-0.890882">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a18" x3="-5.757836" y3="7.66394" z3="-1.917366">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a19" x3="-7.201983" y3="6.634921" z3="-2.162236">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a20" x3="-3.095778" y3="0.940823" z3="1.39459">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a21" x3="-1.086583" y3="0.100371" z3="0.324217">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a22" x3="-1.587296" y3="0.702659" z3="-1.599599">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a23" x3="-1.930279" y3="-0.200035" z3="-1.759801">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a24" x3="-4.018471" y3="0.231088" z3="-0.322407">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="P" id="a25" x3="-3.808907" y3="-1.387764" z3="-0.200794">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a26" x3="-2.732147" y3="-1.813701" z3="-1.177925">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a27" x3="-3.654051" y3="-1.789823" z3="1.242545">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a28" x3="-5.274952" y3="-1.765907" z3="-0.770667">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a29" x3="-5.528382" y3="-3.15599" z3="-1.031345">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a30" x3="-5.397705" y3="-3.746878" z3="-0.120289">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a31" x3="-6.562756" y3="-3.22565" z3="-1.365492">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a32" x3="-4.861628" y3="-3.523698" z3="-1.815614">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a33" x3="-0.307419" y3="2.31087" z3="1.394166">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a34" x3="0.954703" y3="1.797514" z3="1.443112">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a35" x3="-0.932076" y3="2.800851" z3="2.524723">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a36" x3="-0.351778" y3="2.829845" z3="3.744515">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a37" x3="-1.932225" y3="3.182303" z3="2.364506">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a38" x3="0.997566" y3="2.317588" z3="3.85846">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a39" x3="1.541615" y3="1.838773" z3="2.675234">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a40" x3="1.661535" y3="2.282221" z3="4.89712">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a41" x3="2.486635" y3="1.466645" z3="2.734244">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="S" id="a42" x3="1.771327" y3="1.147804" z3="0.127317">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a43" x3="-1.024653" y3="3.367856" z3="4.967177">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a44" x3="-1.093462" y3="2.595882" z3="5.739645">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a45" x3="-0.452839" y3="4.201904" z3="5.385421">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a46" x3="-2.030577" y3="3.715948" z3="4.72623">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C12H18N2O11P2S"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">442.14772199999993</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/12C.2N.11O.2P.S.18H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;2;3;4;8;16;29;34;35;36;38;43;33;39;7;11;13;14;15;22;24;26;27;28;40;12;25;42;5;6;9;10;17;18;19;20;21;23;30;31;32;37;41;44;45;46/rA:46nC0C0C0C0H0H0O0C0H0H0O0P0O0O0O0C0H0H0H0H0H0O0H0O0P0O0O0O0C0H0H0H0N0C0C0C0H0C0N0O0H0S0C0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-3.067,1.0736,.3041;-1.6237,.8959,-.202;-1.0312,2.2803,.0901;-3.3554,2.5236,-.0666;-.3123,2.5729,-.6755;-3.6209,2.5781,-1.1308;-2.099,3.1939,.1343;-4.4274,3.1636,.7856;-5.3608,2.6054,.6574;-4.1373,3.1405,1.8389;-4.6206,4.5414,.4604;-5.2661,4.9478,-.9824;-6.2047,3.8603,-1.4457;-4.182,5.41,-1.9262;-6.0945,6.2371,-.4346;-6.5877,7.1549,-1.4207;-7.201,7.8834,-.8909;-5.7578,7.6639,-1.9174;-7.202,6.6349,-2.1622;-3.0958,.9408,1.3946;-1.0866,.1004,.3242;-1.5873,.7027,-1.5996;-1.9303,-.2,-1.7598;-4.0185,.2311,-.3224;-3.8089,-1.3878,-.2008;-2.7321,-1.8137,-1.1779;-3.6541,-1.7898,1.2425;-5.275,-1.7659,-.7707;-5.5284,-3.156,-1.0313;-5.3977,-3.7469,-.1203;-6.5628,-3.2256,-1.3655;-4.8616,-3.5237,-1.8156;-.3074,2.3109,1.3942;.9547,1.7975,1.4431;-.9321,2.8009,2.5247;-.3518,2.8298,3.7445;-1.9322,3.1823,2.3645;.9976,2.3176,3.8585;1.5416,1.8388,2.6752;1.6615,2.2822,4.8971;2.4866,1.4666,2.7342;1.7713,1.1478,.1273;-1.0247,3.3679,4.9672;-1.0935,2.5959,5.7396;-.4528,4.2019,5.3854;-2.0306,3.7159,4.7262;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.distmat">
<array dataType="xsd:double" dictRef="cc:distance" size="1081">0.000000 1.539822 0.000000 2.376306 1.533943 0.000000 1.524210 2.380518 2.342207 0.000000 3.285780 2.180918 1.090171 3.103846 0.000000 2.151553 2.771532 2.878545 1.098193 3.339819 0.000000 2.336968 2.370599 1.406015 1.438081 2.057623 2.072666 0.000000 2.539831 3.738844 3.577494 1.511617 4.406570 2.160098 2.417921 0.000000 2.780757 4.198483 4.378748 2.133662 5.221626 2.495186 3.355461 1.095136 0.000000 2.788066 3.939805 3.666969 2.150098 4.612514 3.066347 2.657654 1.092791 1.783012 0.000000 3.803102 4.765505 4.258380 2.439198 4.871007 2.717698 2.877592 1.428730 2.082008 2.023999 0.000000 4.636870 5.504044 5.118646 3.219636 5.502241 2.888676 3.788645 2.648118 2.860957 3.535609 1.631981 0.000000 4.546702 5.596479 5.623249 3.436165 6.080434 2.901619 4.449456 2.936520 2.590436 3.947335 2.570333 1.509498 0.000000 5.002186 5.467665 4.877344 3.531647 4.958673 2.994546 3.673712 3.529905 3.991315 4.396484 2.577321 1.509819 2.593032 0.000000 6.030960 6.969255 6.447372 4.628978 6.849671 4.471198 5.054561 3.703233 3.862615 4.311406 2.418381 1.627407 2.585299 2.562519 0.000000 7.235459 8.080955 7.544480 5.807717 7.805818 5.461968 6.185155 5.046237 5.149912 5.722310 3.773342 2.609559 3.316885 3.014542 1.434581 0.000000 8.055491 8.966961 8.391891 6.647924 8.700684 6.404769 7.005213 5.725342 5.800082 6.271631 4.433205 3.517063 4.181626 4.037777 2.035433 1.089728 0.000000 7.457065 8.114200 7.440080 5.968214 7.557431 5.572350 6.130094 5.415602 5.690006 6.098985 4.086226 2.914308 3.858764 2.750166 2.085191 1.092975 1.784529 0.000000 7.355864 8.239935 7.881285 6.007525 8.135005 5.508712 6.569276 5.332715 5.251441 6.132919 4.233721 2.825948 3.034230 3.267440 2.090370 1.094348 1.781864 1.790085 0.000000 1.098948 2.172158 2.785436 2.169751 3.833646 3.055178 2.767292 2.661768 2.905945 2.474009 4.020191 5.139693 5.124089 5.672854 6.355178 7.663794 8.383052 7.953358 7.869859 0.000000 2.206764 1.094638 2.193177 3.342544 2.777145 3.831313 3.260484 4.556044 4.965395 4.565479 5.677193 6.532492 6.592805 6.545114 7.957007 9.114450 9.971863 9.168036 9.288752 2.426710 0.000000 2.439510 1.411352 2.377658 2.965185 2.444932 2.805796 3.078070 4.451043 4.791035 4.926367 5.308511 5.651199 5.595972 5.385028 7.231999 8.165012 9.142152 8.121196 8.187369 3.361161 2.077145 0.000000 2.678419 1.929193 3.222198 3.509471 3.388682 3.312361 3.890346 4.901939 5.047973 5.383395 5.886264 6.183256 5.903868 6.047373 7.780308 8.712149 9.689035 8.747407 8.641148 3.551074 2.268303 0.978856 0.000000 1.416858 2.488285 3.646025 2.400191 4.398280 2.513962 3.559624 3.161456 2.898157 3.626302 4.421986 4.923404 4.383218 5.424035 6.355643 7.466327 8.307196 7.798499 7.384362 2.074407 3.005192 2.786433 2.571480 0.000000 2.619829 3.160757 4.610343 3.939899 5.304620 4.077777 4.901764 4.697962 4.369243 4.977279 6.020862 6.547837 5.901842 7.023246 7.963450 9.065680 9.896310 9.416915 8.928812 2.911378 3.146622 3.355901 2.714856 1.636883 0.000000 3.262655 3.085945 4.611085 4.520631 5.034971 4.481057 5.215225 5.612779 5.459565 5.968235 6.829159 7.223405 6.657667 7.405681 8.756299 9.765232 10.681141 9.976335 9.608721 3.786485 2.937343 2.796526 1.893539 2.562753 1.515130 0.000000 3.069926 3.663646 4.977324 4.517641 5.820652 4.971179 5.336976 5.034255 4.751136 4.989697 6.452149 7.276340 6.756955 7.883993 8.555663 9.782980 10.521576 10.187472 9.754828 2.791275 3.317839 4.308332 3.809580 2.581852 1.506274 2.590204 0.000000 3.754016 4.554170 5.926428 4.751908 6.592641 4.662176 5.958595 5.238401 4.599476 5.672462 6.459528 6.717094 5.742307 7.350068 8.051839 9.040253 9.840387 9.511578 8.730626 4.094329 4.714255 4.514393 3.823241 2.401597 1.617725 2.575655 2.584746 0.000000 5.072558 5.687916 7.143947 6.157176 7.755977 6.043841 7.310262 6.667181 6.006137 7.058261 7.892958 8.108226 7.060954 8.717210 9.428999 10.372447 11.166265 10.858572 9.997089 5.346644 5.671950 5.544749 4.713243 3.775543 2.602505 3.105183 3.248093 1.436840 0.000000 5.371122 5.983762 7.445669 6.594948 8.130807 6.647059 7.688952 7.036868 6.399815 7.270679 8.344836 8.738347 7.763815 9.412106 10.013157 11.043336 11.794449 11.557074 10.733439 5.437671 5.795230 6.042015 5.224092 4.215133 2.845379 3.458463 2.954270 2.088613 1.093731 0.000000 5.787129 6.537235 7.939323 6.710335 8.553854 6.510986 7.961440 7.071783 6.287932 7.528523 8.211727 8.284572 7.095412 8.975344 9.519914 10.380699 11.137485 10.933236 9.913338 6.082556 6.626161 6.343627 5.547041 4.417063 3.509705 4.086850 4.162213 2.035462 1.089236 1.783130 0.000000 5.371091 5.711473 7.210454 6.472876 7.691922 6.264191 7.520632 7.188565 6.628047 7.634891 8.383537 8.522023 7.514233 8.960200 9.934770 10.824383 11.681166 11.223938 10.430481 5.775429 5.653646 5.350700 4.432003 4.127831 2.877165 2.804536 3.717109 2.086283 1.093091 1.792014 1.784735 0.000000 3.214768 2.506479 1.491774 3.386647 2.086159 4.174462 2.361496 4.251088 5.115289 3.943881 4.944779 6.098360 6.726371 5.970112 7.228387 8.416050 9.154013 8.326383 8.881466 3.106762 2.576469 3.631399 4.345783 4.587376 5.337060 5.432039 5.295150 6.781076 7.939025 8.056109 8.797613 8.067570 0.000000 4.242167 3.188625 2.451009 4.624241 2.587443 5.307596 3.603873 5.591564 6.415259 5.280996 6.291169 7.382807 7.991121 7.126611 8.539705 9.684563 10.440354 9.527117 10.145471 4.140371 2.880811 4.113218 4.750998 5.504835 5.961578 5.788227 5.843786 7.510485 8.525875 8.575406 9.467451 8.530199 1.363409 0.000000 3.531692 3.397386 2.491648 3.558702 3.267610 4.543395 2.688888 3.920892 4.810253 3.295335 4.571253 5.974363 6.684903 6.097602 6.871360 8.155363 8.763449 8.165155 8.716617 3.068959 3.486932 4.673516 5.325305 4.922973 5.766203 6.184170 5.488845 7.111642 8.321996 8.355279 9.119048 8.618574 1.381462 2.395100 0.000000 4.721631 4.575251 3.757459 4.862116 4.427611 5.875329 4.027243 5.047496 5.888181 4.249475 5.651369 7.140021 7.890354 7.313360 7.877355 9.179975 9.692116 9.200588 9.812931 4.076774 4.437162 5.883109 6.478374 6.061190 6.730931 7.173499 6.205336 8.108356 9.243175 9.146112 10.067643 9.571901 2.407372 2.840608 1.351102 0.000000 3.159098 3.451069 2.607407 2.893021 3.498139 3.928620 2.236418 2.952819 3.873242 2.267248 3.563748 5.043157 5.764721 5.332406 5.872896 7.196005 7.775463 7.283873 7.757726 2.705332 3.791596 4.688469 5.333866 4.503509 5.566706 6.176468 5.380104 6.744473 8.039783 8.136173 8.741657 8.427648 2.083495 3.331811 1.082347 2.127548 0.000000 5.540968 5.037806 4.279936 5.864894 4.726237 6.803753 4.921965 6.291934 7.124476 5.578769 6.932264 8.341783 9.076762 8.357857 9.170048 10.430969 10.988674 10.372035 11.050826 4.972082 4.663754 6.251393 6.817299 6.855199 7.301326 7.506230 6.734343 8.800467 9.821316 9.669937 10.731991 10.032242 2.788508 2.471077 2.394977 1.447799 3.400486 0.000000 5.239056 4.380245 3.673849 5.653989 3.899109 6.456331 4.641833 6.399612 7.232048 5.885925 7.083984 8.330023 9.004157 8.166224 9.344843 10.541512 11.211064 10.407042 11.083982 4.894055 3.931506 5.418029 5.990019 6.518056 6.878238 6.815603 6.497249 8.445918 9.416541 9.336412 10.375773 9.482896 2.298464 1.365390 2.658457 2.389670 3.737538 1.387544 0.000000 6.701971 6.222184 5.509837 7.061626 5.918959 8.020460 6.136521 7.399765 8.209292 6.611792 8.015861 9.469215 10.227433 9.512530 10.209004 11.476384 11.975752 11.421348 12.138470 6.057977 5.764032 7.433524 7.960988 7.982047 8.329661 8.543254 7.628428 9.829852 10.789613 10.552596 11.713066 11.014587 4.018493 3.558753 3.553035 2.383657 4.487693 1.233256 2.268877 0.000000 6.074838 5.083494 4.475327 6.564412 4.547950 7.312730 5.547162 7.381110 8.197079 6.890577 8.070784 9.275600 9.936884 9.041082 10.316693 11.487525 12.172366 11.314383 12.023141 5.764937 4.521374 5.996898 6.517929 7.292881 7.509724 7.300782 7.108993 9.109118 9.989440 9.873803 10.987126 9.980065 3.211738 2.030594 3.675811 3.306894 4.754631 2.050681 1.017362 2.454381 0.000000 4.842173 3.420218 3.022890 5.311687 2.648934 5.718803 4.377900 6.551418 7.298828 6.466257 7.244601 8.074462 8.570271 7.604338 9.385495 10.409368 11.265327 10.165091 10.764331 5.033640 3.050170 3.802729 4.368041 5.879148 6.138060 5.545760 6.269619 7.677639 8.552830 8.684138 9.529560 8.342302 2.697928 1.679379 3.973475 4.518955 4.781266 3.986042 2.649922 4.904077 2.722020 0.000000 5.583871 5.761069 4.996895 5.611065 5.742712 6.674571 4.953867 5.394989 6.160950 4.418856 5.883831 7.475519 8.258409 7.852275 7.944467 9.278671 9.636090 9.394483 9.983069 4.789930 5.677797 7.109317 7.668262 6.839734 7.554861 8.217442 6.883914 8.794511 9.941148 9.778821 10.688667 10.402987 3.794477 4.336226 2.509113 1.495700 2.762610 2.534104 3.765213 2.898123 4.574903 6.014181 0.000000 5.979792 6.202769 5.658723 6.231703 6.462536 7.320632 5.726089 5.998332 6.636189 4.977668 6.640526 8.253979 8.908066 8.730630 8.740107 10.111443 10.451015 10.299098 10.773467 5.062410 5.962758 7.595569 8.047305 7.134172 7.650614 8.365554 6.783431 8.882242 9.929696 9.648624 10.690481 10.427381 4.425187 4.826237 3.225489 2.141350 3.526893 2.826429 4.111868 2.897972 4.808815 6.465460 1.094250 0.000000 6.514644 6.596963 5.662835 6.400470 6.277544 7.425287 5.594628 6.167121 6.999333 5.222986 6.460788 8.017025 8.936771 8.296165 8.357182 9.627024 9.923862 9.667439 10.413340 5.791935 6.545227 7.894442 8.521391 7.814116 8.585650 9.190227 7.956882 9.836918 11.003392 10.860372 11.750509 11.444529 4.418968 4.827429 3.221213 2.141339 3.514839 2.825939 4.111855 2.897275 4.811537 6.474728 1.094319 1.764986 0.000000 5.254697 5.692612 4.955186 5.113511 5.782499 6.174868 4.621975 4.645246 5.373892 3.620221 5.058384 6.676402 7.452364 7.193994 7.036003 8.389163 8.697865 8.580004 9.094769 4.464952 5.774187 7.020863 7.577175 6.448621 7.313406 8.119622 6.714555 8.413833 9.623297 9.514203 10.287638 10.159874 4.005767 4.834372 2.625022 2.137126 2.423260 3.446459 4.526690 3.964399 5.425179 6.496140 1.091378 1.777566 1.777622 0.000000</array>
</module>
<module cmlx:templateRef="l202.stoich">
<scalar cmlx:templateRef="stoich" dataType="xsd:string" dictRef="g:stoichiometry">C12H18N2O11P2S(2-)</scalar>
<scalar dataType="xsd:string" dictRef="cc:pointgroup">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
<scalar dataType="xsd:string" dictRef="cc:largestabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
<scalar dataType="xsd:string" dictRef="cc:largestconciseabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
</module>
<module cmlx:templateRef="l202.orient">
<molecule cmlx:templateRef="atom" formalCharge="-2" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="0.100844" y3="0.985488" z3="0.226894">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a2" x3="-0.915414" y3="0.9507" z3="-0.92942">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="-1.028232" y3="-0.557772" z3="-1.183909">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="1.028675" y3="-0.168908" z3="-0.133267">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a5" x3="-1.165732" y3="-0.771341" z3="-2.244076">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a6" x3="1.742785" y3="0.166916" z3="-0.897005">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a7" x3="0.15546" y3="-1.153196" z3="-0.713569">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a8" x3="1.753973" y3="-0.755168" z3="1.056366">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a9" x3="2.371343" y3="0.025314" z3="1.513558">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a10" x3="1.036009" y3="-1.122505" z3="1.793783">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a11" x3="2.55748" y3="-1.879784" z3="0.694589">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="P" id="a12" x3="3.879482" y3="-1.661615" z3="-0.237116">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a13" x3="4.459538" y3="-0.290751" z3="0.01359">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a14" x3="3.585234" y3="-2.066499" z3="-1.66156">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a15" x3="4.777925" y3="-2.813641" z3="0.479881">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a16" x3="5.95616" y3="-3.241749" z3="-0.21762">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a17" x3="6.483594" y3="-3.923914" z3="0.448692">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a18" x3="5.685879" y3="-3.763007" z3="-1.139485">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a19" x3="6.602002" y3="-2.38903" z3="-0.448609">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a20" x3="-0.41318" y3="0.785548" z3="1.177415">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a21" x3="-1.878766" y3="1.394282" z3="-0.658456">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a22" x3="-0.3881" y3="1.541985" z3="-2.097424">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a23" x3="-0.363523" y3="2.505881" z3="-1.928726">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a24" x3="0.853419" y3="2.182831" z3="0.313416">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="P" id="a25" x3="0.040474" y3="3.587197" z3="0.528505">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a26" x3="-0.555024" y3="4.012714" z3="-0.798121">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a27" x3="-0.879487" y3="3.484231" z3="1.716752">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a28" x3="1.356409" y3="4.464729" z3="0.868044">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a29" x3="1.176136" y3="5.886394" z3="0.97235">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a30" x3="0.446269" y3="6.124094" z3="1.751479">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a31" x3="2.145629" y3="6.303321" z3="1.241962">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a32" x3="0.850093" y3="6.299818" z3="0.014423">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a33" x3="-2.19342" y3="-1.155933" z3="-0.469814">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a34" x3="-3.432435" y3="-1.004813" z3="-1.018348">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a35" x3="-2.01279" y3="-1.796876" z3="0.740559">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a36" x3="-3.023565" y3="-2.333216" z3="1.458995">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a37" x3="-0.98566" y3="-1.856595" z3="1.076582">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a38" x3="-4.362585" y3="-2.22397" z3="0.919356">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a39" x3="-4.449695" y3="-1.557791" z3="-0.294684">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a40" x3="-5.383769" y3="-2.666661" z3="1.450514">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a41" x3="-5.383003" y3="-1.462683" z3="-0.688276">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="S" id="a42" x3="-3.744675" y3="-0.207446" z3="-2.463001">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a43" x3="-2.82746" y3="-3.034501" z3="2.765464">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a44" x3="-3.397897" y3="-2.539479" z3="3.557259">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a45" x3="-3.179621" y3="-4.068756" z3="2.703535">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a46" x3="-1.77149" y3="-3.037689" z3="3.041188">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C12H18N2O11P2S"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">442.14772199999993</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/12C.2N.11O.2P.S.18H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;2;3;4;8;16;29;34;35;36;38;43;33;39;7;11;13;14;15;22;24;26;27;28;40;12;25;42;5;6;9;10;17;18;19;20;21;23;30;31;32;37;41;44;45;46/rA:46nC0C0C0C0H0H0O0C0H0H0O0P0O0O0O0C0H0H0H0H0H0O0H0O0P0O0O0O0C0H0H0H0N0C0C0C0H0C0N0O0H0S0C0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.1008,.9855,.2269;-.9154,.9507,-.9294;-1.0282,-.5578,-1.1839;1.0287,-.1689,-.1333;-1.1657,-.7713,-2.2441;1.7428,.1669,-.897;.1555,-1.1532,-.7136;1.754,-.7552,1.0564;2.3713,.0253,1.5136;1.036,-1.1225,1.7938;2.5575,-1.8798,.6946;3.8795,-1.6616,-.2371;4.4595,-.2908,.0136;3.5852,-2.0665,-1.6616;4.7779,-2.8136,.4799;5.9562,-3.2417,-.2176;6.4836,-3.9239,.4487;5.6859,-3.763,-1.1395;6.602,-2.389,-.4486;-.4132,.7855,1.1774;-1.8788,1.3943,-.6585;-.3881,1.542,-2.0974;-.3635,2.5059,-1.9287;.8534,2.1828,.3134;.0405,3.5872,.5285;-.555,4.0127,-.7981;-.8795,3.4842,1.7168;1.3564,4.4647,.868;1.1761,5.8864,.9724;.4463,6.1241,1.7515;2.1456,6.3033,1.242;.8501,6.2998,.0144;-2.1934,-1.1559,-.4698;-3.4324,-1.0048,-1.0183;-2.0128,-1.7969,.7406;-3.0236,-2.3332,1.459;-.9857,-1.8566,1.0766;-4.3626,-2.224,.9194;-4.4497,-1.5578,-.2947;-5.3838,-2.6667,1.4505;-5.383,-1.4627,-.6883;-3.7447,-.2074,-2.463;-2.8275,-3.0345,2.7655;-3.3979,-2.5395,3.5573;-3.1796,-4.0688,2.7035;-1.7715,-3.0377,3.0412;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1413363 0.1050222 0.0723475</array>
</module>
</module>
<module cmlx:templateRef="l401"/>
<module cmlx:templateRef="l716.forces">
<list cmlx:templateRef="force">
<array dataType="xsd:integer" dictRef="x:serial" size="46">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</array>
<array dataType="xsd:integer" dictRef="x:elementType" size="46">6 6 6 6 1 1 8 6 1 1 8 15 8 8 8 6 1 1 1 1 1 8 1 8 15 8 8 8 6 1 1 1 7 6 6 6 1 6 7 8 1 16 6 1 1 1</array>
<list>
<array dataType="xsd:double" dictRef="cc:force" size="3">-0.005582543 0.016606081 -0.008475482</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">0.007194427 -0.015029943 -0.025134518</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">-0.052041191 0.017831010 -0.000531757</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">0.007841608 0.014826992 -0.011755703</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">0.006483005 0.009454661 -0.008976635</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">0.020052257 0.001319850 0.009943248</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">0.017451149 -0.063588784 0.007278193</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">0.022766780 0.007088059 -0.017110331</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">-0.015192612 -0.007594122 -0.002867760</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">0.004622246 0.000387272 0.018476261</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">-0.028833946 0.046544053 -0.021759658</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">-0.049670231 -0.033222025 -0.090520103</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">0.108832451 0.035273332 0.013510643</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">-0.045229615 0.023421117 0.106116324</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">0.008893482 -0.060485763 0.006950876</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">0.001155135 -0.003192218 -0.003115549</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">0.000922920 0.011368152 0.010585327</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">0.009131171 0.001334539 -0.013086678</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">-0.015880825 -0.003267074 -0.004598497</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">-0.000166553 -0.000284058 0.014255128</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">0.006271393 -0.008372822 0.013037361</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">0.005532583 0.019512919 0.005118473</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">-0.002470908 -0.006419992 0.002887535</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">-0.025391890 -0.053401730 0.012035340</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">-0.068256241 -0.009420321 0.081883339</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">-0.027944193 0.016217165 -0.110625290</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">0.115541723 -0.014804382 -0.010172373</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">0.002918333 0.056280580 0.023213862</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">-0.002996108 0.002104997 -0.000039572</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">-0.013056279 0.003123728 -0.007500449</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">0.010690108 -0.009425735 -0.006663623</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">-0.004354198 -0.005948738 0.015399380</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">-0.013476381 0.028573235 0.030302015</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">0.016338213 0.013536338 0.040786589</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">-0.001898205 0.023869219 0.055873998</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">-0.117655963 0.029394209 -0.036779981</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">0.011872432 -0.002069920 0.002334012</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">0.058511549 -0.013618416 0.045890111</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">-0.039160185 -0.001810585 -0.042795324</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">0.008705622 -0.003045189 -0.012326539</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">0.014108083 -0.006819690 -0.003454548</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">0.062078608 -0.047675007 -0.061159860</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">0.010254326 -0.015923620 -0.032298710</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">-0.003546508 -0.009296895 0.013642147</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">0.008396507 0.010421073 0.006334872</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">-0.013761530 0.006228446 -0.004106098</array>
</list>
</list>
<list cmlx:templateRef="cartesianforce">
<scalar dataType="xsd:double" dictRef="cc:maxforce">0.117655963</scalar>
<scalar dataType="xsd:double" dictRef="cc:rmsforce">0.033120614</scalar>
</list>
</module>
<module cmlx:templateRef="l50X">
<scalar dataType="xsd:integer" dictRef="cc:ncycle">12</scalar>
<scalar dataType="xsd:double" dictRef="g:rbhflyp" units="nonsi:hartree">-2485.97351345</scalar>
</module>
</module>
</module>
<module dictRef="cc:finalization" id="finalization">
<propertyList>
<property dictRef="cc:jobtime">
<scalar dataType="xsd:string">PT156617.600S</scalar>
</property>
<property dictRef="cc:jobdatetime.end">
<scalar dataType="xsd:string">Thu Feb  6 08:11:01 2025</scalar>
</property>
<property>
<module cmlx:templateRef="l601.mullik">
<scalar dataType="xsd:string" dictRef="g:title">Mulliken charges:</scalar>
<scalar dataType="xsd:integer" dictRef="cc:serial">1</scalar>
<list cmlx:templateRef="row">
<array dataType="xsd:integer" dictRef="cc:serial" size="46">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</array>
<array dataType="xsd:string" dictRef="cc:elementType" size="46">C C C C H H O C H H O P O O O C H H H H H O H O P O O O C H H H N C C C H C N O H S C H H H</array>
<array dataType="xsd:double" dictRef="x:charge" size="46">-0.372110 0.497674 -0.268483 -0.616922 0.244463 0.230129 -0.296414 -0.459952 0.224703 0.217494 -0.438312 1.767779 -0.964242 -0.921164 -0.562876 -0.325282 0.199432 0.193544 0.186488 0.216171 0.227478 -0.558835 0.438760 -0.446257 1.714632 -0.868184 -0.961824 -0.576979 -0.277346 0.192752 0.195724 0.184483 -0.019926 -0.103684 0.232136 -0.033034 0.233822 0.473712 -0.340721 -0.735590 0.416077 0.039010 -0.750774 0.198528 0.189780 0.184143</array>
</list>
<scalar dataType="xsd:double" dictRef="x:chargesum">-2.00000</scalar>
</module>
</property>
<property dictRef="cc:popanal">
<module cmlx:templateRef="l601.popanal">
<array dataType="xsd:double" dictRef="g:alphaocc" size="120">-89.88705 -78.18761 -78.18016 -19.68031 -19.67440 -19.66698 -19.66518 -19.66159 -19.65261 -19.64178 -19.60692 -19.60418 -19.59932 -19.59817 -14.85325 -14.83427 -10.69570 -10.68411 -10.66085 -10.62107 -10.61966 -10.61459 -10.61233 -10.60533 -10.59162 -10.58895 -10.57734 -10.54413 -8.23319 -6.96805 -6.96055 -6.15450 -6.15009 -6.14790 -5.08656 -5.08575 -5.08396 -5.07894 -5.07830 -5.07655 -1.21862 -1.20625 -1.19788 -1.19123 -1.16151 -1.14866 -1.14592 -1.13947 -1.09357 -1.08553 -1.05673 -1.05382 -1.04952 -0.94008 -0.89799 -0.87792 -0.85513 -0.81092 -0.79460 -0.78377 -0.77506 -0.76661 -0.73253 -0.70860 -0.69318 -0.65679 -0.64554 -0.63700 -0.63563 -0.60757 -0.60092 -0.59693 -0.58421 -0.58016 -0.57257 -0.55985 -0.55196 -0.54749 -0.54152 -0.53843 -0.53581 -0.52831 -0.52423 -0.50790 -0.50470 -0.49963 -0.49714 -0.49221 -0.48472 -0.47994 -0.47536 -0.47142 -0.46603 -0.45900 -0.45087 -0.44773 -0.44087 -0.43419 -0.43004 -0.42754 -0.41512 -0.40568 -0.39624 -0.39121 -0.39034 -0.38888 -0.38569 -0.38361 -0.38064 -0.37434 -0.36547 -0.35882 -0.35612 -0.35006 -0.34554 -0.33896 -0.33457 -0.32346 -0.28773 -0.27717</array>
<array dataType="xsd:double" dictRef="g:alphavirt" size="514">-0.01851 -0.00464 0.01062 0.01832 0.02029 0.02492 0.03393 0.03517 0.03708 0.04122 0.04199 0.04837 0.05401 0.05524 0.05712 0.06129 0.06274 0.06719 0.07353 0.07669 0.08216 0.08587 0.09172 0.09182 0.09697 0.09722 0.10112 0.10185 0.10954 0.11100 0.11547 0.11772 0.12052 0.12548 0.12893 0.13408 0.13831 0.14351 0.14441 0.14671 0.14854 0.15188 0.15413 0.15573 0.16040 0.16276 0.16438 0.16734 0.16869 0.17143 0.17488 0.17624 0.17831 0.18386 0.18585 0.18693 0.19089 0.19563 0.19768 0.20112 0.20360 0.20742 0.20830 0.21270 0.21632 0.21844 0.21930 0.22349 0.22583 0.22803 0.23253 0.23519 0.23735 0.23991 0.24238 0.24283 0.24821 0.25036 0.25147 0.25530 0.25786 0.26112 0.26328 0.26815 0.27017 0.27190 0.27721 0.27769 0.28243 0.28536 0.28864 0.28950 0.29698 0.29824 0.29996 0.30299 0.30553 0.30831 0.30873 0.31135 0.31242 0.31678 0.31930 0.32128 0.32220 0.32445 0.32717 0.33079 0.33201 0.33720 0.34049 0.34360 0.34760 0.35057 0.35251 0.35681 0.35868 0.36113 0.36700 0.36961 0.37269 0.37425 0.37805 0.38106 0.38433 0.38720 0.39144 0.39514 0.39861 0.40021 0.40445 0.40835 0.41214 0.41644 0.41826 0.42348 0.42691 0.43064 0.43771 0.44171 0.44392 0.44718 0.44816 0.45479 0.46020 0.46275 0.46874 0.47623 0.48190 0.49011 0.49101 0.49717 0.50452 0.51409 0.51779 0.52020 0.52531 0.54642 0.55665 0.56874 0.57529 0.59726 0.61959 0.62476 0.63700 0.65540 0.66223 0.66751 0.68440 0.69424 0.69727 0.70090 0.70634 0.72481 0.73276 0.73609 0.74070 0.75371 0.75480 0.75836 0.75998 0.76719 0.77121 0.77421 0.78192 0.78256 0.78640 0.79766 0.80564 0.81144 0.82405 0.82818 0.84011 0.84584 0.85159 0.85632 0.86728 0.87569 0.88585 0.89703 0.90713 0.90950 0.92650 0.93714 0.94046 0.95493 0.96538 0.97236 0.97691 0.99399 0.99643 0.99896 1.00622 1.01660 1.02443 1.02642 1.02841 1.04024 1.05195 1.06221 1.07141 1.08194 1.09176 1.09567 1.10653 1.11081 1.11683 1.12481 1.14354 1.14672 1.15384 1.15778 1.16538 1.16676 1.17275 1.17548 1.17686 1.18358 1.18651 1.19580 1.21099 1.21389 1.21928 1.23280 1.23883 1.24956 1.25750 1.26259 1.27484 1.28735 1.29220 1.30562 1.30733 1.31062 1.32163 1.32524 1.32910 1.33766 1.34128 1.35108 1.35793 1.36701 1.37224 1.37756 1.38758 1.39217 1.40098 1.40169 1.40679 1.41503 1.41848 1.42801 1.43274 1.43499 1.43898 1.44180 1.44627 1.45270 1.45483 1.46474 1.46905 1.47196 1.47535 1.47811 1.48679 1.49660 1.51132 1.51646 1.52314 1.52523 1.53306 1.54170 1.54815 1.56701 1.57068 1.58516 1.58897 1.60842 1.61247 1.62623 1.63301 1.64616 1.64974 1.65148 1.66214 1.67543 1.68029 1.69293 1.69486 1.70959 1.72277 1.73937 1.75301 1.76310 1.76703 1.77206 1.77392 1.79451 1.79552 1.80562 1.81512 1.83235 1.83758 1.84085 1.85195 1.85916 1.86272 1.86615 1.87317 1.88273 1.88507 1.89532 1.90258 1.91181 1.91633 1.91991 1.93399 1.94697 1.95409 1.95977 1.96432 1.96752 1.97576 1.97939 1.99335 1.99710 1.99893 2.00620 2.01050 2.01953 2.02222 2.02551 2.04048 2.04663 2.05688 2.06703 2.07235 2.07858 2.08852 2.09058 2.09374 2.09628 2.09789 2.10461 2.10939 2.13161 2.13654 2.14112 2.14354 2.15099 2.16823 2.16952 2.17350 2.18491 2.18641 2.19932 2.20091 2.20711 2.21750 2.22470 2.23166 2.23704 2.25435 2.25952 2.26771 2.28272 2.29348 2.29764 2.31252 2.31953 2.33695 2.34499 2.35623 2.35987 2.37702 2.38446 2.39468 2.40778 2.42309 2.43762 2.46132 2.47022 2.47741 2.50591 2.50948 2.51275 2.52533 2.54382 2.55047 2.56073 2.57367 2.58712 2.59215 2.60358 2.62137 2.62238 2.62683 2.62877 2.64945 2.65624 2.65860 2.67379 2.67691 2.68735 2.69153 2.70810 2.72245 2.72615 2.73448 2.74658 2.76569 2.77414 2.78708 2.80138 2.81288 2.83874 2.84198 2.85534 2.85781 2.86520 2.88619 2.89061 2.89515 2.89693 2.90210 2.90646 2.91202 2.93177 2.94004 2.94995 2.96293 2.97815 2.98623 2.99451 3.00396 3.00963 3.02297 3.02495 3.05555 3.07151 3.10381 3.14593 3.15723 3.20636 3.22699 3.24628 3.25132 3.25377 3.26583 3.29216 3.34747 3.36648 3.40422 3.43089 3.43409 3.43903 3.44524 3.44794 3.44922 3.48806 3.49439 3.51113 3.52683 3.55082 3.63670 3.64783 3.65715 3.67997 4.09604 4.21052 4.25970 4.27969 4.30028 4.30733 4.32909 4.36027 4.39451 4.41896 4.45584 4.49204 4.50856 4.52261 4.57751 4.59057 4.60351 4.62211 4.64369 4.70580 4.73171 4.77771 4.83476 4.89638 4.95929 5.01372</array>
<module cmlx:templateRef="l601.state">
<scalar dataType="xsd:string" dictRef="g:l601.state">1-A.</scalar>
</module>
</module>
</property>
<property>
<module cmlx:templateRef="l601.mullik">
<scalar dataType="xsd:string" dictRef="g:title">Mulliken charges:</scalar>
<scalar dataType="xsd:integer" dictRef="cc:serial">1</scalar>
<list cmlx:templateRef="row">
<array dataType="xsd:integer" dictRef="cc:serial" size="46">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</array>
<array dataType="xsd:string" dictRef="cc:elementType" size="46">C C C C H H O C H H O P O O O C H H H H H O H O P O O O C H H H N C C C H C N O H S C H H H</array>
<array dataType="xsd:double" dictRef="x:charge" size="46">0.044390 -0.143311 -0.371960 -0.442274 0.229923 0.219267 -0.328414 0.017684 0.205567 0.196871 -0.722770 2.120179 -0.968652 -0.979250 -0.748423 -0.301420 0.186373 0.184741 0.181143 0.232944 0.226086 -0.595346 0.462352 -0.826969 2.248525 -1.011379 -0.930895 -0.736480 -0.284241 0.186016 0.190908 0.187939 -0.031100 -0.099947 -0.009387 0.334273 0.245354 0.365603 -0.337041 -0.658747 0.419989 -0.019952 -0.731246 0.200127 0.200786 0.192164</array>
</list>
<scalar dataType="xsd:double" dictRef="x:chargesum">-2.00000</scalar>
</module>
</property>
<property dictRef="cc:forces">
<scalar dictRef="cc:linkToAtoms">./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999']</scalar>
</property>
<property dictRef="cc:multipole">
<list cmlx:templateRef="multipole">
<array dataType="xsd:double" dictRef="cc:dipole" size="3">-9.1785 -6.7281 6.7516</array>
<scalar dataType="xsd:double" dictRef="x:dipole">13.2324</scalar>
<array dataType="xsd:double" dictRef="cc:quadrupole" size="3">-300.1584 -246.7357 -224.2819</array>
<array dataType="xsd:double" dictRef="cc:quadrupole" size="3">15.1292 12.1227 -7.0977</array>
<array dataType="xsd:double" dictRef="cc:quadrupole" size="6">-43.0998 10.3230 32.7768 15.1292 12.1227 -7.0977</array>
<array dataType="xsd:double" dictRef="cc:octapole" size="10">82.1640 0.9404 62.1909 110.6180 86.0054 -15.6499 39.8308 -14.5447 10.5906 -36.3262</array>
<array dataType="xsd:double" dictRef="cc:hexadecapole" size="15">-12119.2862 -7078.3096 -2183.8772 -951.5508 364.9446 210.5777 147.3104 -40.5123 -108.3820 -3260.1266 -2505.8998 -1723.3931 203.2205 158.6337 65.1323</array>
</list>
</property>
<property dictRef="cc:virtualorbs">
<array dataType="xsd:string" delimiter="|" size="514">(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)</array>
</property>
<property dictRef="cc:virtualorbs">
<array dataType="xsd:string" delimiter="|" size="514">(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)</array>
</property>
<property dictRef="cc:occupiedorbs">
<array dataType="xsd:string" delimiter="|" size="120">(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)</array>
</property>
<property dictRef="cc:occupiedorbs">
<array dataType="xsd:string" delimiter="|" size="120">(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)</array>
</property>
</propertyList>
<module dictRef="cc:userDefinedModule" id="otherComponents">
<module cmlx:templateRef="l9999.archive" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:string" dictRef="g:zmat">0</scalar>
<scalar dataType="xsd:string" dictRef="cc:electronicstate">1-A</scalar>
<scalar dataType="xsd:double" dictRef="cc:hfenergy" units="nonsi:hartree">-2485.9735135</scalar>
<scalar dataType="xsd:double" dictRef="cc:rmsd" units="nonsi:unknown">4.472E-9</scalar>
<scalar dataType="xsd:double" dictRef="cc:rmsf" units="nonsi:unknown">4.222E-6</scalar>
<scalar dataType="xsd:string" dictRef="x:Quadrupole">-3.4216281,-6.9922829,10.413911,17.02177,-21.7277201,15.133007</scalar>
<scalar dataType="xsd:string" dictRef="cc:pointgroup">C01 [X(C12H18N2O11P2S1)]</scalar>
<array dataType="xsd:double" dictRef="cc:dipole" size="3" units="nonsi:debye">2.2042449 0.7649425 4.6539161</array>
</module>
</module>
<molecule formalCharge="-2" id="mol9999" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="-3.06704922" y3="1.07359014" z3="0.30406892">
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.0" size="3">0.000002307 -0.000000581 -0.000000298</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.1" size="3">0.000002536 0.000003293 0.000000446</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.2" size="3">-0.000000264 0.000004409 0.000000311</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.3" size="3">0.000000004 0.000000216 0.000000204</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.4" size="3">-0.000000022 0.000006308 0.000002256</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.5" size="3">0.000000354 0.000000816 0.000000373</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.6" size="3">-0.000001811 0.000002265 0.000001287</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.7" size="3">-0.000002089 -0.000002905 0.000000580</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.8" size="3">-0.000000929 -0.000004381 -0.000000879</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.9" size="3">-0.000002305 -0.000003627 0.000000583</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.10" size="3">-0.000003381 -0.000003311 0.000001116</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.11" size="3">-0.000003542 0.000000782 0.000002686</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.12" size="3">-0.000001424 -0.000004175 0.000000223</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.13" size="3">-0.000004692 -0.000000264 0.000004124</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.14" size="3">-0.000007600 -0.000003065 0.000002438</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.15" size="3">-0.000006695 -0.000003455 0.000004570</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.16" size="3">-0.000009023 -0.000005364 0.000004774</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.17" size="3">-0.000007577 -0.000001975 0.000005470</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.18" size="3">-0.000005914 -0.000003829 0.000003096</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.19" size="3">0.000001571 -0.000001609 -0.000001579</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.20" size="3">0.000003381 0.000003542 -0.000001616</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.21" size="3">0.000003449 0.000004689 -0.000001944</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.22" size="3">0.000004913 0.000004696 -0.000002266</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.23" size="3">0.000002547 0.000000362 -0.000004744</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.24" size="3">0.000004800 -0.000001434 -0.000005436</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.25" size="3">0.000009491 0.000001702 -0.000007005</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.26" size="3">0.000006046 -0.000002450 -0.000003403</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.27" size="3">0.000008749 -0.000001349 -0.000005305</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.28" size="3">0.000009416 -0.000002881 -0.000008885</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.29" size="3">0.000010812 -0.000002824 -0.000009167</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.30" size="3">0.000010113 -0.000003421 -0.000009120</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.31" size="3">0.000011033 -0.000000239 -0.000008196</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.32" size="3">-0.000001383 0.000001238 0.000003900</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.33" size="3">0.000000445 0.000006138 0.000001326</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.34" size="3">-0.000001764 0.000001778 0.000002147</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.35" size="3">-0.000003430 -0.000000250 0.000002371</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.36" size="3">-0.000003145 -0.000001001 0.000002024</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.37" size="3">-0.000002200 0.000003579 0.000000071</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.38" size="3">-0.000001510 0.000003800 0.000003976</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.39" size="3">-0.000002472 0.000001864 0.000004169</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.40" size="3">-0.000000254 0.000006561 0.000002283</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.41" size="3">0.000002258 0.000008434 0.000001717</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.42" size="3">-0.000004996 -0.000002584 0.000002724</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.43" size="3">-0.000004023 -0.000003604 0.000001790</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.44" size="3">-0.000006486 -0.000002060 0.000004148</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.45" size="3">-0.000005293 -0.000003835 0.000002658</array>
</property>
</atom>
<atom elementType="C" id="a2" x3="-1.62366486" y3="0.89589564" z3="-0.20201108"/>
<atom elementType="C" id="a3" x3="-1.03115552" y3="2.2803091" z3="0.09007164"/>
<atom elementType="C" id="a4" x3="-3.35541274" y3="2.52364795" z3="-0.06660018"/>
<atom elementType="H" id="a5" x3="-0.31226934" y3="2.57294442" z3="-0.67546044"/>
<atom elementType="H" id="a6" x3="-3.62089552" y3="2.57808427" z3="-1.13082898"/>
<atom elementType="O" id="a7" x3="-2.0990235" y3="3.19385957" z3="0.13434704"/>
<atom elementType="C" id="a8" x3="-4.42739108" y3="3.16364755" z3="0.78560143"/>
<atom elementType="H" id="a9" x3="-5.36080185" y3="2.60539669" z3="0.65744825"/>
<atom elementType="H" id="a10" x3="-4.13731904" y3="3.14047542" z3="1.83893606"/>
<atom elementType="O" id="a11" x3="-4.62061654" y3="4.54138263" z3="0.46036582"/>
<atom elementType="P" id="a12" x3="-5.26608673" y3="4.94784382" z3="-0.98238183"/>
<atom elementType="O" id="a13" x3="-6.20473356" y3="3.86026893" z3="-1.44574788"/>
<atom elementType="O" id="a14" x3="-4.18204199" y3="5.41000889" z3="-1.92620558"/>
<atom elementType="O" id="a15" x3="-6.09450258" y3="6.23706" z3="-0.43456711"/>
<atom elementType="C" id="a16" x3="-6.58773015" y3="7.15487228" z3="-1.42065576"/>
<atom elementType="H" id="a17" x3="-7.20099738" y3="7.88339898" z3="-0.89088219"/>
<atom elementType="H" id="a18" x3="-5.75783599" y3="7.66394029" z3="-1.91736571"/>
<atom elementType="H" id="a19" x3="-7.20198334" y3="6.6349206" z3="-2.16223595"/>
<atom elementType="H" id="a20" x3="-3.09577761" y3="0.94082329" z3="1.39458963"/>
<atom elementType="H" id="a21" x3="-1.08658264" y3="0.10037111" z3="0.32421668"/>
<atom elementType="O" id="a22" x3="-1.5872964" y3="0.70265854" z3="-1.59959862"/>
<atom elementType="H" id="a23" x3="-1.93027941" y3="-0.2000353" z3="-1.75980112"/>
<atom elementType="O" id="a24" x3="-4.01847074" y3="0.23108754" z3="-0.322407"/>
<atom elementType="P" id="a25" x3="-3.8089071" y3="-1.38776378" z3="-0.20079435"/>
<atom elementType="O" id="a26" x3="-2.73214684" y3="-1.81370123" z3="-1.17792529"/>
<atom elementType="O" id="a27" x3="-3.65405132" y3="-1.78982324" z3="1.24254543"/>
<atom elementType="O" id="a28" x3="-5.27495178" y3="-1.7659074" z3="-0.77066677"/>
<atom elementType="C" id="a29" x3="-5.52838243" y3="-3.15599023" z3="-1.03134482"/>
<atom elementType="H" id="a30" x3="-5.39770504" y3="-3.74687787" z3="-0.120289"/>
<atom elementType="H" id="a31" x3="-6.56275566" y3="-3.22565009" z3="-1.36549192"/>
<atom elementType="H" id="a32" x3="-4.86162791" y3="-3.52369756" z3="-1.81561384"/>
<atom elementType="N" id="a33" x3="-0.3074191" y3="2.31086962" z3="1.39416625"/>
<atom elementType="C" id="a34" x3="0.95470349" y3="1.79751361" z3="1.44311233"/>
<atom elementType="C" id="a35" x3="-0.93207573" y3="2.80085095" z3="2.52472308"/>
<atom elementType="C" id="a36" x3="-0.35177817" y3="2.82984537" z3="3.7445146"/>
<atom elementType="H" id="a37" x3="-1.93222529" y3="3.18230297" z3="2.36450648"/>
<atom elementType="C" id="a38" x3="0.99756584" y3="2.31758777" z3="3.85846037"/>
<atom elementType="N" id="a39" x3="1.54161464" y3="1.83877251" z3="2.67523399"/>
<atom elementType="O" id="a40" x3="1.66153496" y3="2.28222077" z3="4.89711987"/>
<atom elementType="H" id="a41" x3="2.48663497" y3="1.46664464" z3="2.73424444"/>
<atom elementType="S" id="a42" x3="1.77132746" y3="1.14780378" z3="0.12731749"/>
<atom elementType="C" id="a43" x3="-1.0246526" y3="3.36785561" z3="4.96717741"/>
<atom elementType="H" id="a44" x3="-1.09346185" y3="2.59588233" z3="5.73964496"/>
<atom elementType="H" id="a45" x3="-0.45283932" y3="4.20190389" z3="5.38542144"/>
<atom elementType="H" id="a46" x3="-2.03057654" y3="3.71594755" z3="4.72623024"/>
</atomArray>
<bondArray/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">442.14772199999993</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/12C.2N.11O.2P.S.18H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;2;3;4;8;16;29;34;35;36;38;43;33;39;7;11;13;14;15;22;24;26;27;28;40;12;25;42;5;6;9;10;17;18;19;20;21;23;30;31;32;37;41;44;45;46/rA:46nC0C0C0C0H0H0O0C0H0H0O0P0O0O0O0C0H0H0H0H0H0O0H0O0P0O0O0O0C0H0H0H0N0C0C0C0H0C0N0O0H0S0C0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-3.067,1.0736,.3041;-1.6237,.8959,-.202;-1.0312,2.2803,.0901;-3.3554,2.5236,-.0666;-.3123,2.5729,-.6755;-3.6209,2.5781,-1.1308;-2.099,3.1939,.1343;-4.4274,3.1636,.7856;-5.3608,2.6054,.6574;-4.1373,3.1405,1.8389;-4.6206,4.5414,.4604;-5.2661,4.9478,-.9824;-6.2047,3.8603,-1.4457;-4.182,5.41,-1.9262;-6.0945,6.2371,-.4346;-6.5877,7.1549,-1.4207;-7.201,7.8834,-.8909;-5.7578,7.6639,-1.9174;-7.202,6.6349,-2.1622;-3.0958,.9408,1.3946;-1.0866,.1004,.3242;-1.5873,.7027,-1.5996;-1.9303,-.2,-1.7598;-4.0185,.2311,-.3224;-3.8089,-1.3878,-.2008;-2.7321,-1.8137,-1.1779;-3.6541,-1.7898,1.2425;-5.275,-1.7659,-.7707;-5.5284,-3.156,-1.0313;-5.3977,-3.7469,-.1203;-6.5628,-3.2257,-1.3655;-4.8616,-3.5237,-1.8156;-.3074,2.3109,1.3942;.9547,1.7975,1.4431;-.9321,2.8009,2.5247;-.3518,2.8298,3.7445;-1.9322,3.1823,2.3645;.9976,2.3176,3.8585;1.5416,1.8388,2.6752;1.6615,2.2822,4.8971;2.4866,1.4666,2.7342;1.7713,1.1478,.1273;-1.0247,3.3679,4.9672;-1.0935,2.5959,5.7396;-.4528,4.2019,5.3854;-2.0306,3.7159,4.7262;</scalar>
</formula>
</molecule>
</module>
</module>
<module cmlx:templateRef="job" dictRef="cc:job" id="job">
<module dictRef="cc:environment" id="environment">
<parameterList>
<parameter dictRef="cc:program">
<scalar dataType="xsd:string">Gaussian 16</scalar>
</parameter>
<parameter dictRef="cc:hostname">
<scalar dataType="xsd:string">GINC-EXP-10-23</scalar>
</parameter>
<parameter dictRef="cc:jobname">
<scalar dataType="xsd:string">VOLGA</scalar>
</parameter>
<parameter dictRef="cc:title">
<scalar dataType="xsd:string">Title Card Required</scalar>
</parameter>
<parameter dictRef="cc:version">
<scalar dataType="xsd:string">ES64L-G16RevC.01</scalar>
</parameter>
</parameterList>
</module>
<module dictRef="cc:initialization" id="initialization">
<parameterList>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">132</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C12H18N2O11P2S)]</scalar>
</parameter>
<parameter dictRef="cc:method">
<scalar dataType="xsd:string">RM062X</scalar>
</parameter>
<parameter dictRef="cc:basis">
<scalar dataType="xsd:string">6-31+G(d,p)</scalar>
</parameter>
<parameter dictRef="g:operation">
<scalar dataType="xsd:string">Freq</scalar>
</parameter>
<parameter dictRef="g:keyword">
<scalar dataType="xsd:string">#N</scalar>
</parameter>
<parameter dictRef="g:keyword">
<scalar dataType="xsd:string">Geom=AllCheck</scalar>
</parameter>
<parameter dictRef="g:keyword">
<scalar dataType="xsd:string">Guess=TCheck</scalar>
</parameter>
<parameter dictRef="g:keyword">
<scalar dataType="xsd:string">SCRF=Check</scalar>
</parameter>
<parameter dictRef="g:keyword">
<scalar dataType="xsd:string">GenChk</scalar>
</parameter>
<parameter dictRef="g:keyword">
<scalar dataType="xsd:string">RM062X/6-31+G(d,p)</scalar>
</parameter>
<parameter dictRef="g:keyword">
<scalar dataType="xsd:string">Freq</scalar>
</parameter>
</parameterList>
<molecule cmlx:templateRef="atom" formalCharge="-2" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="-3.067049" y3="1.07359" z3="0.304069">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a2" x3="-1.623665" y3="0.895896" z3="-0.202011">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="-1.031156" y3="2.280309" z3="0.090072">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="-3.355413" y3="2.523648" z3="-0.0666">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a5" x3="-0.312269" y3="2.572944" z3="-0.67546">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a6" x3="-3.620896" y3="2.578084" z3="-1.130829">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a7" x3="-2.099023" y3="3.19386" z3="0.134347">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a8" x3="-4.427391" y3="3.163648" z3="0.785601">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a9" x3="-5.360802" y3="2.605397" z3="0.657448">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a10" x3="-4.137319" y3="3.140475" z3="1.838936">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a11" x3="-4.620617" y3="4.541383" z3="0.460366">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="P" id="a12" x3="-5.266087" y3="4.947844" z3="-0.982382">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a13" x3="-6.204734" y3="3.860269" z3="-1.445748">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a14" x3="-4.182042" y3="5.410009" z3="-1.926206">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a15" x3="-6.094503" y3="6.23706" z3="-0.434567">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a16" x3="-6.58773" y3="7.154872" z3="-1.420656">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a17" x3="-7.200997" y3="7.883399" z3="-0.890882">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a18" x3="-5.757836" y3="7.66394" z3="-1.917366">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a19" x3="-7.201983" y3="6.634921" z3="-2.162236">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a20" x3="-3.095778" y3="0.940823" z3="1.39459">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a21" x3="-1.086583" y3="0.100371" z3="0.324217">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a22" x3="-1.587296" y3="0.702659" z3="-1.599599">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a23" x3="-1.930279" y3="-0.200035" z3="-1.759801">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a24" x3="-4.018471" y3="0.231088" z3="-0.322407">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="P" id="a25" x3="-3.808907" y3="-1.387764" z3="-0.200794">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a26" x3="-2.732147" y3="-1.813701" z3="-1.177925">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a27" x3="-3.654051" y3="-1.789823" z3="1.242545">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a28" x3="-5.274952" y3="-1.765907" z3="-0.770667">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a29" x3="-5.528382" y3="-3.15599" z3="-1.031345">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a30" x3="-5.397705" y3="-3.746878" z3="-0.120289">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a31" x3="-6.562756" y3="-3.22565" z3="-1.365492">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a32" x3="-4.861628" y3="-3.523698" z3="-1.815614">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a33" x3="-0.307419" y3="2.31087" z3="1.394166">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a34" x3="0.954703" y3="1.797514" z3="1.443112">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a35" x3="-0.932076" y3="2.800851" z3="2.524723">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a36" x3="-0.351778" y3="2.829845" z3="3.744515">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a37" x3="-1.932225" y3="3.182303" z3="2.364506">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a38" x3="0.997566" y3="2.317588" z3="3.85846">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a39" x3="1.541615" y3="1.838773" z3="2.675234">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a40" x3="1.661535" y3="2.282221" z3="4.89712">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a41" x3="2.486635" y3="1.466645" z3="2.734244">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="S" id="a42" x3="1.771327" y3="1.147804" z3="0.127317">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a43" x3="-1.024653" y3="3.367856" z3="4.967177">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a44" x3="-1.093462" y3="2.595882" z3="5.739645">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a45" x3="-0.452839" y3="4.201904" z3="5.385421">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a46" x3="-2.030577" y3="3.715948" z3="4.72623">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C12H18N2O11P2S"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">442.14772199999993</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/12C.2N.11O.2P.S.18H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;2;3;4;8;16;29;34;35;36;38;43;33;39;7;11;13;14;15;22;24;26;27;28;40;12;25;42;5;6;9;10;17;18;19;20;21;23;30;31;32;37;41;44;45;46/rA:46nC0C0C0C0H0H0O0C0H0H0O0P0O0O0O0C0H0H0H0H0H0O0H0O0P0O0O0O0C0H0H0H0N0C0C0C0H0C0N0O0H0S0C0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-3.067,1.0736,.3041;-1.6237,.8959,-.202;-1.0312,2.2803,.0901;-3.3554,2.5236,-.0666;-.3123,2.5729,-.6755;-3.6209,2.5781,-1.1308;-2.099,3.1939,.1343;-4.4274,3.1636,.7856;-5.3608,2.6054,.6574;-4.1373,3.1405,1.8389;-4.6206,4.5414,.4604;-5.2661,4.9478,-.9824;-6.2047,3.8603,-1.4457;-4.182,5.41,-1.9262;-6.0945,6.2371,-.4346;-6.5877,7.1549,-1.4207;-7.201,7.8834,-.8909;-5.7578,7.6639,-1.9174;-7.202,6.6349,-2.1622;-3.0958,.9408,1.3946;-1.0866,.1004,.3242;-1.5873,.7027,-1.5996;-1.9303,-.2,-1.7598;-4.0185,.2311,-.3224;-3.8089,-1.3878,-.2008;-2.7321,-1.8137,-1.1779;-3.6541,-1.7898,1.2425;-5.275,-1.7659,-.7707;-5.5284,-3.156,-1.0313;-5.3977,-3.7469,-.1203;-6.5628,-3.2256,-1.3655;-4.8616,-3.5237,-1.8156;-.3074,2.3109,1.3942;.9547,1.7975,1.4431;-.9321,2.8009,2.5247;-.3518,2.8298,3.7445;-1.9322,3.1823,2.3645;.9976,2.3176,3.8585;1.5416,1.8388,2.6752;1.6615,2.2822,4.8971;2.4866,1.4666,2.7342;1.7713,1.1478,.1273;-1.0247,3.3679,4.9672;-1.0935,2.5959,5.7396;-.4528,4.2019,5.3854;-2.0306,3.7159,4.7262;</scalar>
</formula>
</molecule>
<module dictRef="cc:userDefinedModule" id="otherComponents">
<module cmlx:templateRef="l101" dictRef="cc:userDefinedModule">
<module cmlx:templateRef="l101.title">
<scalar cmlx:templateRef="title" dataType="xsd:string" dictRef="cc:title">Title Card Required</scalar>
</module>
<module cmlx:templateRef="l101.redundantcoords">
<scalar cmlx:templateRef="redundant" dataType="xsd:string" dictRef="g:redundant">Redundant internal coordinates found in file.  (old form).</scalar>
</module>
<list cmlx:templateRef="rest">
<scalar dataType="xsd:string" dictRef="x:l101">Charge = -2 Multiplicity = 1</scalar>
</list>
</module>
<module cmlx:templateRef="l103" dictRef="cc:userDefinedModule">
<list cmlx:templateRef="berny">
<scalar dataType="xsd:string" dictRef="g:optimization">Berny optimization.</scalar>
</list>
<module cmlx:templateRef="l103.init">
<list cmlx:templateRef="length">
<array dataType="xsd:string" dictRef="g:symbol" size="47">R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47</array>
<array dataType="xsd:integer" dictRef="g:atom1" size="47">1 1 1 1 2 2 2 3 3 3 4 4 4 8 8 8 11 12 12 12 15 16 16 16 22 24 25 25 25 28 29 29 29 33 33 34 34 35 35 36 36 38 38 39 43 43 43</array>
<array dataType="xsd:integer" dictRef="g:atom2" size="47">2 4 20 24 3 21 22 5 7 33 6 7 8 9 10 11 12 13 14 15 16 17 18 19 23 25 26 27 28 29 30 31 32 34 35 39 42 36 37 38 43 39 40 41 44 45 46</array>
<array dataType="xsd:double" dictRef="cc:distance" size="47">1.5398 1.5242 1.0989 1.4169 1.5339 1.0946 1.4114 1.0902 1.406 1.4918 1.0982 1.4381 1.5116 1.0951 1.0928 1.4287 1.632 1.5095 1.5098 1.6274 1.4346 1.0897 1.093 1.0943 0.9789 1.6369 1.5151 1.5063 1.6177 1.4368 1.0937 1.0892 1.0931 1.3634 1.3815 1.3654 1.6794 1.3511 1.0823 1.4478 1.4957 1.3875 1.2333 1.0174 1.0943 1.0943 1.0914</array>
<array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="47">calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically</array>
</list>
<list cmlx:templateRef="angle">
<array dataType="xsd:string" dictRef="g:symbol" size="84">A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84</array>
<array dataType="xsd:integer" dictRef="g:atom1" size="84">2 2 2 4 4 20 1 1 1 3 3 21 2 2 2 5 5 7 1 1 1 6 6 7 3 4 4 4 9 9 10 8 11 11 11 13 13 14 12 15 15 15 17 17 18 2 1 24 24 24 26 26 27 25 28 28 28 30 30 31 3 3 34 33 33 39 33 33 36 35 35 38 36 36 39 34 34 38 36 36 36 44 44 45</array>
<array dataType="xsd:integer" dictRef="g:atom2" size="84">1 1 1 1 1 1 2 2 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 7 8 8 8 8 8 8 11 12 12 12 12 12 12 15 16 16 16 16 16 16 22 24 25 25 25 25 25 25 28 29 29 29 29 29 29 33 33 33 34 34 34 35 35 35 36 36 36 38 38 38 39 39 39 43 43 43 43 43 43</array>
<array dataType="xsd:integer" dictRef="g:atom3" size="84">4 20 24 20 24 24 3 21 22 21 22 22 5 7 33 7 33 33 6 7 8 7 8 8 4 9 10 11 10 11 11 12 13 14 15 14 15 15 16 17 18 19 18 19 19 23 25 26 27 28 27 28 28 29 30 31 32 31 32 32 34 35 35 39 42 42 36 37 37 38 43 43 39 40 40 38 41 41 44 45 46 45 46 46</array>
<array dataType="xsd:double" dictRef="cc:angle" size="84">101.9583 109.6762 114.5512 110.5676 109.3374 110.4491 101.2647 112.6926 111.4329 112.0147 107.5881 111.3397 111.301 107.3996 111.8602 110.3977 106.765 109.1252 109.1814 104.129 113.569 108.8755 110.7266 110.0883 110.8751 108.8225 110.2547 112.0768 109.1613 110.466 106.0077 119.6635 109.7471 110.1757 95.7996 118.3674 110.9504 109.4767 116.7731 106.6807 110.445 110.7812 109.6859 109.3415 109.848 106.2185 117.9861 108.7292 110.3856 95.105 118.0258 110.5572 111.6123 116.737 110.5162 106.5603 110.3666 109.5388 110.0616 109.7327 118.2149 120.2194 121.5167 114.7673 124.5887 120.6437 123.5212 114.9414 121.531 117.6296 123.539 118.8301 114.8607 125.3245 119.8148 127.691 116.1404 116.1661 110.5846 110.5796 110.4202 107.5023 108.8386 108.8387</array>
<array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="84">calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically</array>
</list>
<list cmlx:templateRef="dihed">
<array dataType="xsd:string" dictRef="g:symbol" size="105">D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105</array>
<array dataType="xsd:integer" dictRef="g:atom1" size="105">4 4 4 20 20 20 24 24 24 2 2 2 20 20 20 24 24 24 2 4 20 1 1 1 21 21 21 22 22 22 1 3 21 2 5 33 2 2 5 5 7 7 1 6 8 1 1 1 6 6 6 7 7 7 4 9 10 8 8 8 11 13 14 12 12 12 1 1 1 24 26 27 25 25 25 3 3 35 35 3 3 34 34 33 33 42 42 33 33 37 37 35 35 43 43 35 35 35 38 38 38 36 36 40 40</array>
<array dataType="xsd:integer" dictRef="g:atom2" size="105">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 4 4 4 8 8 8 11 11 11 12 12 12 15 15 15 24 24 24 25 25 25 28 28 28 33 33 33 33 33 33 33 33 34 34 34 34 35 35 35 35 36 36 36 36 36 36 36 36 36 36 38 38 38 38</array>
<array dataType="xsd:integer" dictRef="g:atom3" size="105">2 2 2 2 2 2 2 2 2 4 4 4 4 4 4 4 4 4 24 24 24 3 3 3 3 3 3 3 3 3 22 22 22 7 7 7 33 33 33 33 33 33 7 7 7 8 8 8 8 8 8 8 8 8 11 11 11 12 12 12 15 15 15 16 16 16 25 25 25 28 28 28 29 29 29 34 34 34 34 35 35 35 35 39 39 39 39 36 36 36 36 38 38 38 38 43 43 43 43 43 43 39 39 39 39</array>
<array dataType="xsd:integer" dictRef="g:atom4" size="105">3 21 22 3 21 22 3 21 22 6 7 8 6 7 8 6 7 8 25 25 25 5 7 33 5 7 33 5 7 33 23 23 23 4 4 4 34 35 34 35 34 35 3 3 3 9 10 11 9 10 11 9 10 11 12 12 12 13 14 15 16 16 16 17 18 19 26 27 28 29 29 29 30 31 32 39 42 39 42 36 37 36 37 38 41 38 41 38 43 38 43 39 40 39 40 44 45 46 44 45 46 34 41 34 41</array>
<array dataType="xsd:double" dictRef="cc:dihed" size="105">35.6438 155.483 -78.51 -81.5568 38.2824 164.2894 153.6047 -86.5561 39.4509 80.3901 -35.7635 -155.5144 -163.0536 80.7927 -38.9581 -41.2405 -157.3941 82.855 59.7456 173.4313 -64.6843 -144.8352 -23.8902 95.8236 94.8443 -144.2107 -24.4969 -27.8347 93.1103 -147.1759 -72.3975 177.4462 54.3522 1.6373 123.1497 -119.8066 79.3279 -98.1633 -42.6537 139.8552 -161.977 20.5318 21.8251 -94.5424 143.9045 -60.7238 58.9732 176.8044 62.5296 -177.7733 -59.9422 -177.0267 -57.3296 60.5015 68.2432 -53.2899 -171.4245 30.0374 -102.0078 144.7656 164.879 -81.3842 51.0732 173.9301 -66.9257 55.0146 -77.881 53.0603 168.3818 171.9202 59.7226 -73.7768 58.8157 177.7509 -63.163 -178.8381 0.9522 -1.3811 178.4091 178.3501 -2.5646 0.9435 -179.9713 1.003 -179.5993 -178.7963 0.6014 0.0399 179.6157 -178.987 0.5888 -0.4376 179.6119 179.9659 0.0155 120.9179 -120.1241 0.3953 -59.511 59.447 179.9663 -0.1023 -179.4998 179.8511 0.4535</array>
<array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="105">calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically</array>
</list>
</module>
</module>
<module cmlx:templateRef="l103" dictRef="cc:userDefinedModule">
<list cmlx:templateRef="berny">
<scalar dataType="xsd:string" dictRef="g:optimization">Berny optimization.</scalar>
</list>
<module cmlx:templateRef="l103.localminsaddle">
<scalar cmlx:templateRef="r" dataType="xsd:string" dictRef="cc:minmaxts">local minimum</scalar>
<array cmlx:templateRef="junk" dataType="xsd:string" dictRef="x:junk1" size="9">Step number 1 out of a maximum of 2</array>
<array cmlx:templateRef="junk" dataType="xsd:string" dictRef="x:junk1" size="7">All quantities printed in internal units (Hartrees-Bohrs-Radians)</array>
<array cmlx:templateRef="junk" dataType="xsd:string" dictRef="x:junk1" size="9">Second derivative matrix not updated -- analytic derivatives used.</array>
<array cmlx:templateRef="eigenvaluelist" dataType="xsd:double" dictRef="" size="132">0.00084 0.00105 0.00209 0.00251 0.00281 0.00299 0.00321 0.00404 0.00554 0.00755 0.00803 0.00854 0.00942 0.01083 0.01192 0.01229 0.01458 0.01582 0.01815 0.02294 0.02783 0.03200 0.03341 0.03918 0.04586 0.04692 0.04750 0.05179 0.05461 0.05563 0.05579 0.05594 0.05819 0.05977 0.06213 0.07082 0.07136 0.07673 0.08536 0.08570 0.08579 0.08619 0.08917 0.10125 0.10607 0.11389 0.12164 0.12437 0.12528 0.12816 0.12853 0.13925 0.14288 0.14413 0.14695 0.14705 0.14744 0.15582 0.15795 0.16320 0.16466 0.17077 0.17216 0.17903 0.17982 0.18404 0.18604 0.18762 0.19020 0.19095 0.19188 0.19344 0.19666 0.20430 0.20865 0.20916 0.21065 0.21892 0.22257 0.23774 0.24143 0.24244 0.24669 0.26730 0.27116 0.27737 0.28007 0.30125 0.30780 0.31213 0.32180 0.32570 0.33247 0.33621 0.33881 0.34192 0.34285 0.34323 0.34345 0.34507 0.34551 0.34616 0.34752 0.35158 0.35173 0.35373 0.35593 0.35635 0.35910 0.36617 0.36832 0.37086 0.37625 0.37986 0.39891 0.40219 0.40889 0.42266 0.42877 0.44550 0.45723 0.46063 0.46306 0.51551 0.52337 0.52857 0.56191 0.56990 0.57530 0.58265 0.58281 0.77960</array>
<array cmlx:templateRef="junk" dataType="xsd:string" dictRef="x:junk1" size="8">Angle between quadratic step and forces= 77.79 degrees.</array>
<list cmlx:templateRef="iterationList">
<array dataType="xsd:integer" dictRef="cc:serial" size="2">1 2</array>
<array dataType="xsd:double" dictRef="g:rmscart" size="2">0.00021227 0.00000003</array>
<array dataType="xsd:double" dictRef="g:rmsint" size="2">0.00000002 0.00000000</array>
</list>
</module>
<module cmlx:templateRef="l103.deltas">
<list cmlx:templateRef="delta">
<array dataType="xsd:string" dictRef="cc:variable" size="236">R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105</array>
<array dataType="xsd:double" dictRef="g:lastval" size="236">2.90984 2.88034 2.07671 2.67747 2.89873 2.06857 2.66707 2.06012 2.65698 2.81905 2.07528 2.71758 2.85654 2.06951 2.06508 2.69991 3.08400 2.85254 2.85314 3.07535 2.71097 2.05929 2.06542 2.06802 1.84977 3.09326 2.86318 2.84645 3.05706 2.71523 2.06685 2.05836 2.06564 2.57647 2.61058 2.58021 3.17357 2.55321 2.04534 2.73594 2.82646 2.62208 2.33052 1.92253 2.06783 2.06796 2.06241 1.77951 1.91421 1.99929 1.92977 1.90830 1.92770 1.76740 1.96686 1.94487 1.95503 1.87777 1.94324 1.94257 1.87448 1.95233 1.92680 1.86340 1.90459 1.90557 1.81739 1.98215 1.90024 1.93254 1.92140 1.93513 1.89931 1.92431 1.95611 1.90522 1.92800 1.85018 2.08852 1.91545 1.92293 1.67202 2.06590 1.93645 1.91073 2.03808 1.86193 1.92763 1.93350 1.91438 1.90837 1.91721 1.85386 2.05925 1.89768 1.92659 1.65990 2.05994 1.92959 1.94800 2.03745 1.92887 1.85983 1.92626 1.91181 1.92094 1.91520 2.06324 2.09822 2.12087 2.00307 2.17448 2.10563 2.15585 2.00611 2.12112 2.05302 2.15616 2.07398 2.00470 2.18732 2.09116 2.22863 2.02703 2.02748 1.93007 1.92998 1.92720 1.87627 1.89959 1.89959 0.62210 2.71369 -1.37026 -1.42343 0.66815 2.86739 2.68091 -1.51069 0.68855 1.40307 -0.62419 -2.71424 -2.84582 1.41010 -0.67995 -0.71978 -2.74705 1.44609 1.04276 3.02695 -1.12895 -2.52785 -0.41696 1.67244 1.65535 -2.51695 -0.42755 -0.48581 1.62508 -2.56870 -1.26357 3.09702 0.94863 0.02858 2.14937 -2.09102 1.38453 -1.71327 -0.74445 2.44093 -2.82703 0.35835 0.38092 -1.65008 2.51161 -1.05983 1.02928 3.08582 1.09135 -3.10273 -1.04619 -3.08970 -1.00059 1.05595 1.19107 -0.93008 -2.99192 0.52425 -1.78037 2.52664 2.87768 -1.42042 0.89140 3.03565 -1.16807 0.96019 -1.35928 0.92608 2.93882 3.00057 1.04236 -1.28765 1.02653 3.10234 -1.10240 -3.12131 0.01662 -0.02411 3.11383 3.11280 -0.04476 0.01647 -3.14109 0.01751 -3.13460 -3.12058 0.01050 0.00070 3.13489 -3.12391 0.01028 -0.00764 3.13482 3.14100 0.00027 2.11042 -2.09656 0.00690 -1.03866 1.03755 3.14101 -0.00179 -3.13286 3.13899 0.00792</array>
<array dataType="xsd:double" dictRef="cc:deriv" size="236">-0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000</array>
<array dataType="xsd:double" dictRef="cc:delta.linear" size="236">0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000</array>
<array dataType="xsd:double" dictRef="cc:delta.quad" size="236">-0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00001 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00001 0.00000 0.00000 -0.00001 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00001 0.00001 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00001 -0.00000 -0.00001 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00001 -0.00001 0.00001 0.00000 -0.00001 0.00001 0.00001 0.00001 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00001 -0.00000 -0.00001 0.00000 0.00001 0.00000 0.00000 0.00001 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00001 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00001 0.00001 0.00001 0.00000 0.00001 0.00000 0.00001 0.00001 0.00001 0.00000 0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 0.00002 0.00002 0.00000 -0.00000 0.00001 -0.00002 -0.00002 -0.00002 -0.00002 -0.00003 -0.00002 -0.00003 -0.00003 -0.00002 0.00002 0.00002 0.00002 0.00003 0.00003 0.00003 0.00003 -0.00004 0.00002 -0.00005 0.00002 -0.00004 -0.00002 -0.00002 -0.00002 -0.00004 -0.00004 -0.00005 -0.00004 -0.00004 -0.00005 -0.00005 -0.00005 -0.00005 -0.00007 -0.00007 -0.00007 0.00020 0.00021 0.00020 -0.00017 -0.00018 -0.00018 -0.00003 -0.00003 -0.00003 -0.00009 -0.00009 -0.00009 -0.00016 -0.00016 -0.00017 -0.00014 -0.00014 -0.00013 -0.00004 -0.00005 0.00003 0.00002 0.00006 0.00007 -0.00001 -0.00000 -0.00004 0.00001 -0.00004 0.00001 0.00001 0.00000 -0.00000 -0.00001 -0.00002 -0.00001 -0.00002 -0.00000 0.00001 0.00001 0.00001 0.00000 0.00000 0.00000 0.00004 -0.00001 0.00003 -0.00002</array>
<array dataType="xsd:double" dictRef="cc:delta.total" size="236">-0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00001 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00001 0.00000 0.00000 -0.00001 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00001 0.00001 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00001 -0.00000 -0.00001 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00001 -0.00001 0.00001 0.00000 -0.00001 0.00001 0.00001 0.00001 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00001 -0.00000 -0.00001 0.00000 0.00001 0.00000 0.00000 0.00001 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00001 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00001 0.00001 0.00001 0.00000 0.00001 0.00000 0.00001 0.00001 0.00001 0.00000 0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 0.00002 0.00002 0.00000 -0.00000 0.00001 -0.00002 -0.00002 -0.00002 -0.00002 -0.00003 -0.00002 -0.00003 -0.00003 -0.00002 0.00002 0.00002 0.00002 0.00003 0.00003 0.00003 0.00003 -0.00004 0.00002 -0.00005 0.00002 -0.00004 -0.00002 -0.00002 -0.00002 -0.00004 -0.00004 -0.00005 -0.00004 -0.00004 -0.00005 -0.00005 -0.00005 -0.00005 -0.00007 -0.00007 -0.00007 0.00020 0.00021 0.00020 -0.00017 -0.00018 -0.00018 -0.00003 -0.00003 -0.00003 -0.00009 -0.00009 -0.00009 -0.00016 -0.00016 -0.00017 -0.00014 -0.00014 -0.00013 -0.00004 -0.00005 0.00003 0.00002 0.00006 0.00007 -0.00001 -0.00000 -0.00004 0.00001 -0.00004 0.00001 0.00001 0.00000 -0.00000 -0.00001 -0.00002 -0.00001 -0.00002 -0.00000 0.00001 0.00001 0.00001 0.00000 0.00000 0.00000 0.00004 -0.00001 0.00003 -0.00002</array>
<array dataType="xsd:double" dictRef="cc:newval" size="236">2.90984 2.88034 2.07671 2.67747 2.89873 2.06857 2.66707 2.06012 2.65698 2.81905 2.07528 2.71758 2.85654 2.06951 2.06508 2.69991 3.08400 2.85254 2.85314 3.07535 2.71096 2.05929 2.06542 2.06802 1.84977 3.09327 2.86319 2.84645 3.05705 2.71524 2.06685 2.05836 2.06564 2.57647 2.61058 2.58021 3.17357 2.55321 2.04534 2.73594 2.82646 2.62207 2.33052 1.92254 2.06783 2.06796 2.06241 1.77950 1.91421 1.99929 1.92977 1.90830 1.92770 1.76740 1.96686 1.94487 1.95503 1.87777 1.94324 1.94258 1.87448 1.95232 1.92680 1.86340 1.90460 1.90557 1.81740 1.98216 1.90023 1.93255 1.92140 1.93514 1.89931 1.92431 1.95611 1.90522 1.92800 1.85018 2.08851 1.91544 1.92293 1.67202 2.06589 1.93645 1.91074 2.03809 1.86193 1.92763 1.93350 1.91438 1.90837 1.91721 1.85387 2.05923 1.89768 1.92658 1.65990 2.05994 1.92959 1.94800 2.03745 1.92887 1.85983 1.92626 1.91181 1.92093 1.91520 2.06324 2.09823 2.12087 2.00307 2.17448 2.10563 2.15585 2.00611 2.12112 2.05302 2.15616 2.07398 2.00470 2.18732 2.09116 2.22863 2.02703 2.02748 1.93007 1.92998 1.92720 1.87627 1.89959 1.89959 0.62211 2.71370 -1.37025 -1.42343 0.66816 2.86740 2.68091 -1.51068 0.68856 1.40308 -0.62418 -2.71423 -2.84582 1.41011 -0.67994 -0.71977 -2.74703 1.44611 1.04276 3.02694 -1.12895 -2.52787 -0.41699 1.67242 1.65532 -2.51698 -0.42758 -0.48583 1.62505 -2.56873 -1.26355 3.09704 0.94865 0.02860 2.14940 -2.09099 1.38456 -1.71331 -0.74443 2.44089 -2.82701 0.35831 0.38090 -1.65009 2.51159 -1.05987 1.02923 3.08577 1.09130 -3.10277 -1.04623 -3.08975 -1.00064 1.05590 1.19100 -0.93016 -2.99199 0.52445 -1.78016 2.52684 2.87751 -1.42061 0.89122 3.03562 -1.16810 0.96016 -1.35937 0.92599 2.93873 3.00041 1.04220 -1.28782 1.02639 3.10220 -1.10253 -3.12135 0.01657 -0.02408 3.11385 3.11285 -0.04469 0.01646 -3.14109 0.01746 -3.13459 -3.12062 0.01051 0.00070 3.13489 -3.12391 0.01027 -0.00766 3.13481 3.14098 0.00027 2.11042 -2.09655 0.00691 -1.03866 1.03755 3.14101 -0.00174 -3.13287 3.13902 0.00789</array>
</list>
</module>
<module cmlx:templateRef="l103.itemconverge">
<list cmlx:templateRef="row">
<array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">|Maximum Force|RMS     Force|Maximum Displacement|RMS     Displacement|</array>
<array dataType="xsd:double" dictRef="g:value" size="4">0.000003 0.000001 0.001148 0.000212</array>
<array dataType="xsd:double" dictRef="g:threshold" size="4">0.000450 0.000300 0.001800 0.001200</array>
<array dataType="xsd:string" dictRef="g:converged" size="4">YES YES YES YES</array>
</list>
</module>
<module cmlx:templateRef="preddelta">
<list cmlx:templateRef="predicted">
<scalar dataType="xsd:double" dictRef="g:predchange">-6.224772e-10</scalar>
</list>
</module>
<module cmlx:templateRef="l103.optimizedparam">
<list cmlx:templateRef="completed">
<scalar dataType="xsd:string" dictRef="g:optimization">Optimization completed.</scalar>
<scalar dataType="xsd:string" dictRef="g:optimization">-- Stationary point found.</scalar>
</list>
<list cmlx:templateRef="length">
<array dataType="xsd:string" dictRef="g:symbol" size="47">R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47</array>
<array dataType="xsd:integer" dictRef="g:atom1" size="47">1 1 1 1 2 2 2 3 3 3 4 4 4 8 8 8 11 12 12 12 15 16 16 16 22 24 25 25 25 28 29 29 29 33 33 34 34 35 35 36 36 38 38 39 43 43 43</array>
<array dataType="xsd:integer" dictRef="g:atom2" size="47">2 4 20 24 3 21 22 5 7 33 6 7 8 9 10 11 12 13 14 15 16 17 18 19 23 25 26 27 28 29 30 31 32 34 35 39 42 36 37 38 43 39 40 41 44 45 46</array>
<array dataType="xsd:double" dictRef="cc:distance" size="47">1.5398 1.5242 1.0989 1.4169 1.5339 1.0946 1.4114 1.0902 1.406 1.4918 1.0982 1.4381 1.5116 1.0951 1.0928 1.4287 1.632 1.5095 1.5098 1.6274 1.4346 1.0897 1.093 1.0943 0.9789 1.6369 1.5151 1.5063 1.6177 1.4368 1.0937 1.0892 1.0931 1.3634 1.3815 1.3654 1.6794 1.3511 1.0823 1.4478 1.4957 1.3875 1.2333 1.0174 1.0943 1.0943 1.0914</array>
<array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="47">-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0</array>
</list>
<list cmlx:templateRef="angle">
<array dataType="xsd:string" dictRef="g:symbol" size="84">A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84</array>
<array dataType="xsd:integer" dictRef="g:atom1" size="84">2 2 2 4 4 20 1 1 1 3 3 21 2 2 2 5 5 7 1 1 1 6 6 7 3 4 4 4 9 9 10 8 11 11 11 13 13 14 12 15 15 15 17 17 18 2 1 24 24 24 26 26 27 25 28 28 28 30 30 31 3 3 34 33 33 39 33 33 36 35 35 38 36 36 39 34 34 38 36 36 36 44 44 45</array>
<array dataType="xsd:integer" dictRef="g:atom2" size="84">1 1 1 1 1 1 2 2 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 7 8 8 8 8 8 8 11 12 12 12 12 12 12 15 16 16 16 16 16 16 22 24 25 25 25 25 25 25 28 29 29 29 29 29 29 33 33 33 34 34 34 35 35 35 36 36 36 38 38 38 39 39 39 43 43 43 43 43 43</array>
<array dataType="xsd:integer" dictRef="g:atom3" size="84">4 20 24 20 24 24 3 21 22 21 22 22 5 7 33 7 33 33 6 7 8 7 8 8 4 9 10 11 10 11 11 12 13 14 15 14 15 15 16 17 18 19 18 19 19 23 25 26 27 28 27 28 28 29 30 31 32 31 32 32 34 35 35 39 42 42 36 37 37 38 43 43 39 40 40 38 41 41 44 45 46 45 46 46</array>
<array dataType="xsd:double" dictRef="cc:angle" size="84">101.9583 109.6762 114.5512 110.5676 109.3374 110.4491 101.2647 112.6926 111.4329 112.0147 107.5881 111.3397 111.301 107.3996 111.8602 110.3977 106.765 109.1252 109.1814 104.129 113.569 108.8755 110.7266 110.0883 110.8751 108.8225 110.2547 112.0768 109.1613 110.466 106.0077 119.6635 109.7471 110.1757 95.7996 118.3674 110.9504 109.4767 116.7731 106.6807 110.445 110.7812 109.6859 109.3415 109.848 106.2185 117.9861 108.7292 110.3856 95.105 118.0258 110.5572 111.6123 116.737 110.5162 106.5603 110.3666 109.5388 110.0616 109.7327 118.2149 120.2194 121.5167 114.7673 124.5887 120.6437 123.5212 114.9414 121.531 117.6296 123.539 118.8301 114.8607 125.3245 119.8148 127.691 116.1404 116.1661 110.5846 110.5796 110.4202 107.5023 108.8386 108.8387</array>
<array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="84">-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0</array>
</list>
<list cmlx:templateRef="dihed">
<array dataType="xsd:string" dictRef="g:symbol" size="104">D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104</array>
<array dataType="xsd:integer" dictRef="g:atom1" size="104">4 4 4 20 20 20 24 24 24 2 2 2 20 20 20 24 24 24 2 4 20 1 1 1 21 21 21 22 22 22 1 3 21 2 5 33 2 2 5 5 7 7 1 6 8 1 1 1 6 6 6 7 7 7 4 9 10 8 8 8 11 13 14 12 12 12 1 1 1 24 26 27 25 25 25 3 3 35 35 3 3 34 34 33 33 42 42 33 33 37 37 35 35 43 43 35 35 35 38 38 38 36 36 40</array>
<array dataType="xsd:integer" dictRef="g:atom2" size="104">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 4 4 4 8 8 8 11 11 11 12 12 12 15 15 15 24 24 24 25 25 25 28 28 28 33 33 33 33 33 33 33 33 34 34 34 34 35 35 35 35 36 36 36 36 36 36 36 36 36 36 38 38 38</array>
<array dataType="xsd:integer" dictRef="g:atom3" size="104">2 2 2 2 2 2 2 2 2 4 4 4 4 4 4 4 4 4 24 24 24 3 3 3 3 3 3 3 3 3 22 22 22 7 7 7 33 33 33 33 33 33 7 7 7 8 8 8 8 8 8 8 8 8 11 11 11 12 12 12 15 15 15 16 16 16 25 25 25 28 28 28 29 29 29 34 34 34 34 35 35 35 35 39 39 39 39 36 36 36 36 38 38 38 38 43 43 43 43 43 43 39 39 39</array>
<array dataType="xsd:integer" dictRef="g:atom4" size="104">3 21 22 3 21 22 3 21 22 6 7 8 6 7 8 6 7 8 25 25 25 5 7 33 5 7 33 5 7 33 23 23 23 4 4 4 34 35 34 35 34 35 3 3 3 9 10 11 9 10 11 9 10 11 12 12 12 13 14 15 16 16 16 17 18 19 26 27 28 29 29 29 30 31 32 39 42 39 42 36 37 36 37 38 41 38 41 38 43 38 43 39 40 39 40 44 45 46 44 45 46 34 41 34</array>
<array dataType="xsd:double" dictRef="cc:dihed" size="104">35.6438 155.483 -78.51 -81.5568 38.2824 164.2894 153.6047 -86.5561 39.4509 80.3901 -35.7635 -155.5144 -163.0536 80.7927 -38.9581 -41.2405 -157.3941 82.855 59.7456 173.4313 -64.6843 -144.8352 -23.8902 95.8236 94.8443 -144.2107 -24.4969 -27.8347 93.1103 -147.1759 -72.3975 177.4462 54.3522 1.6373 123.1497 -119.8066 79.3279 -98.1633 -42.6537 139.8552 -161.977 20.5318 21.8251 -94.5424 143.9045 -60.7238 58.9732 176.8044 62.5296 -177.7733 -59.9422 -177.0267 -57.3296 60.5015 68.2432 -53.2899 -171.4245 30.0374 -102.0078 144.7656 164.879 -81.3842 51.0732 173.9301 -66.9257 55.0146 -77.881 53.0603 168.3818 171.9202 59.7226 -73.7768 58.8157 177.7509 -63.163 -178.8381 0.9522 -1.3811 178.4091 178.3501 -2.5646 0.9435 -179.9713 1.003 -179.5993 -178.7963 0.6014 0.0399 179.6157 -178.987 0.5888 -0.4376 179.6119 179.9659 0.0155 120.9179 -120.1241 0.3953 -59.511 59.447 179.9663 -0.1023 -179.4998 179.8511</array>
<array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="104">-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0</array>
</list>
</module>
<scalar dictRef="l103.converged.count">1</scalar>
</module>
</module>
</module>
<module dictRef="cc:calculation" id="calculation">
<module dictRef="cc:userDefinedModule" id="otherComponents">
<module cmlx:templateRef="l301">
<module cmlx:templateRef="l301.basis">
<scalar dataType="xsd:string" dictRef="cc:basis">6-31+G(d,p)</scalar>
<scalar dataType="xsd:string" dictRef="cc:diffuse">(6D, 7F)</scalar>
<list cmlx:templateRef="symmadaptcart">
<array dataType="xsd:integer" dictRef="cc:adapted" size="1">634</array>
<array dataType="xsd:string" dictRef="cc:symm" size="1">A</array>
</list>
<list cmlx:templateRef="symmadapt">
<array dataType="xsd:integer" dictRef="cc:adapted" size="1">634</array>
<array dataType="xsd:string" dictRef="cc:symm" size="1">A</array>
</list>
<scalar dataType="xsd:integer" dictRef="cc:basiscount">634</scalar>
<scalar dataType="xsd:integer" dictRef="g:primbasis">1094</scalar>
<scalar dataType="xsd:integer" dictRef="cc:cartesianbasis">634</scalar>
<scalar dataType="xsd:integer" dictRef="cc:alphae">120</scalar>
<scalar dataType="xsd:integer" dictRef="cc:betae">120</scalar>
<scalar dataType="xsd:double" dictRef="cc:nucrepener">3504.3491431802</scalar>
<scalar dataType="xsd:integer" dictRef="cc:natoms">46</scalar>
<scalar dataType="xsd:integer" dictRef="cc:nactiveatoms">46</scalar>
<scalar dataType="xsd:integer" dictRef="cc:uniqatoms">46</scalar>
<scalar dataType="xsd:double" dictRef="g:sfac">1.00e+00</scalar>
<scalar dataType="xsd:integer" dictRef="g:natfmm">60</scalar>
<scalar dataType="xsd:string" dictRef="g:big">F</scalar>
</module>
</module>
<module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
<module cmlx:templateRef="l202.distmat">
<array dataType="xsd:double" dictRef="cc:distance" size="1081">0.000000 1.539822 0.000000 2.376306 1.533943 0.000000 1.524210 2.380518 2.342207 0.000000 3.285780 2.180918 1.090171 3.103846 0.000000 2.151553 2.771532 2.878545 1.098193 3.339819 0.000000 2.336968 2.370599 1.406015 1.438081 2.057623 2.072666 0.000000 2.539831 3.738844 3.577494 1.511617 4.406570 2.160098 2.417921 0.000000 2.780757 4.198483 4.378748 2.133662 5.221626 2.495186 3.355461 1.095136 0.000000 2.788066 3.939805 3.666969 2.150098 4.612514 3.066347 2.657654 1.092791 1.783012 0.000000 3.803102 4.765505 4.258380 2.439198 4.871007 2.717698 2.877592 1.428730 2.082008 2.023999 0.000000 4.636870 5.504044 5.118646 3.219636 5.502241 2.888676 3.788645 2.648118 2.860957 3.535609 1.631981 0.000000 4.546702 5.596479 5.623249 3.436165 6.080434 2.901619 4.449456 2.936520 2.590436 3.947335 2.570333 1.509498 0.000000 5.002186 5.467665 4.877344 3.531647 4.958673 2.994546 3.673712 3.529905 3.991315 4.396484 2.577321 1.509819 2.593032 0.000000 6.030960 6.969255 6.447372 4.628978 6.849671 4.471198 5.054561 3.703233 3.862615 4.311406 2.418381 1.627407 2.585299 2.562519 0.000000 7.235459 8.080955 7.544480 5.807717 7.805818 5.461968 6.185155 5.046237 5.149912 5.722310 3.773342 2.609559 3.316885 3.014542 1.434581 0.000000 8.055491 8.966961 8.391891 6.647924 8.700684 6.404769 7.005213 5.725342 5.800082 6.271631 4.433205 3.517063 4.181626 4.037777 2.035433 1.089728 0.000000 7.457065 8.114200 7.440080 5.968214 7.557431 5.572350 6.130094 5.415602 5.690006 6.098985 4.086226 2.914308 3.858764 2.750166 2.085191 1.092975 1.784529 0.000000 7.355864 8.239935 7.881285 6.007525 8.135005 5.508712 6.569276 5.332715 5.251441 6.132919 4.233721 2.825948 3.034230 3.267440 2.090370 1.094348 1.781864 1.790085 0.000000 1.098948 2.172158 2.785436 2.169751 3.833646 3.055178 2.767292 2.661768 2.905945 2.474009 4.020191 5.139693 5.124089 5.672854 6.355178 7.663794 8.383052 7.953358 7.869859 0.000000 2.206764 1.094638 2.193177 3.342544 2.777145 3.831313 3.260484 4.556044 4.965395 4.565479 5.677193 6.532492 6.592805 6.545114 7.957007 9.114450 9.971863 9.168036 9.288752 2.426710 0.000000 2.439510 1.411352 2.377658 2.965185 2.444932 2.805796 3.078070 4.451043 4.791035 4.926367 5.308511 5.651199 5.595972 5.385028 7.231999 8.165012 9.142152 8.121196 8.187369 3.361161 2.077145 0.000000 2.678419 1.929193 3.222198 3.509471 3.388682 3.312361 3.890346 4.901939 5.047973 5.383395 5.886264 6.183256 5.903868 6.047373 7.780308 8.712149 9.689035 8.747407 8.641148 3.551074 2.268303 0.978856 0.000000 1.416858 2.488285 3.646025 2.400191 4.398280 2.513962 3.559624 3.161456 2.898157 3.626302 4.421986 4.923404 4.383218 5.424035 6.355643 7.466327 8.307196 7.798499 7.384362 2.074407 3.005192 2.786433 2.571480 0.000000 2.619829 3.160757 4.610343 3.939899 5.304620 4.077777 4.901764 4.697962 4.369243 4.977279 6.020862 6.547837 5.901842 7.023246 7.963450 9.065680 9.896310 9.416915 8.928812 2.911378 3.146622 3.355901 2.714856 1.636883 0.000000 3.262655 3.085945 4.611085 4.520631 5.034971 4.481057 5.215225 5.612779 5.459565 5.968235 6.829159 7.223405 6.657667 7.405681 8.756299 9.765232 10.681141 9.976335 9.608721 3.786485 2.937343 2.796526 1.893539 2.562753 1.515130 0.000000 3.069926 3.663646 4.977324 4.517641 5.820652 4.971179 5.336976 5.034255 4.751136 4.989697 6.452149 7.276340 6.756955 7.883993 8.555663 9.782980 10.521576 10.187472 9.754828 2.791275 3.317839 4.308332 3.809580 2.581852 1.506274 2.590204 0.000000 3.754016 4.554170 5.926428 4.751908 6.592641 4.662176 5.958595 5.238401 4.599476 5.672462 6.459528 6.717094 5.742307 7.350068 8.051839 9.040253 9.840387 9.511578 8.730626 4.094329 4.714255 4.514393 3.823241 2.401597 1.617725 2.575655 2.584746 0.000000 5.072558 5.687916 7.143947 6.157176 7.755977 6.043841 7.310262 6.667181 6.006137 7.058261 7.892958 8.108226 7.060954 8.717210 9.428999 10.372447 11.166265 10.858572 9.997089 5.346644 5.671950 5.544749 4.713243 3.775543 2.602505 3.105183 3.248093 1.436840 0.000000 5.371122 5.983762 7.445669 6.594948 8.130807 6.647059 7.688952 7.036868 6.399815 7.270679 8.344836 8.738347 7.763815 9.412106 10.013157 11.043336 11.794449 11.557074 10.733439 5.437671 5.795230 6.042015 5.224092 4.215133 2.845379 3.458463 2.954270 2.088613 1.093731 0.000000 5.787129 6.537235 7.939323 6.710335 8.553854 6.510986 7.961440 7.071783 6.287932 7.528523 8.211727 8.284572 7.095412 8.975344 9.519914 10.380699 11.137485 10.933236 9.913338 6.082556 6.626161 6.343627 5.547041 4.417063 3.509705 4.086850 4.162213 2.035462 1.089236 1.783130 0.000000 5.371091 5.711473 7.210454 6.472876 7.691922 6.264191 7.520632 7.188565 6.628047 7.634891 8.383537 8.522023 7.514233 8.960200 9.934770 10.824383 11.681166 11.223938 10.430481 5.775429 5.653646 5.350700 4.432003 4.127831 2.877165 2.804536 3.717109 2.086283 1.093091 1.792014 1.784735 0.000000 3.214768 2.506479 1.491774 3.386647 2.086159 4.174462 2.361496 4.251088 5.115289 3.943881 4.944779 6.098360 6.726371 5.970112 7.228387 8.416050 9.154013 8.326383 8.881466 3.106762 2.576469 3.631399 4.345783 4.587376 5.337060 5.432039 5.295150 6.781076 7.939025 8.056109 8.797613 8.067570 0.000000 4.242167 3.188625 2.451009 4.624241 2.587443 5.307596 3.603873 5.591564 6.415259 5.280996 6.291169 7.382807 7.991121 7.126611 8.539705 9.684563 10.440354 9.527117 10.145471 4.140371 2.880811 4.113218 4.750998 5.504835 5.961578 5.788227 5.843786 7.510485 8.525875 8.575406 9.467451 8.530199 1.363409 0.000000 3.531692 3.397386 2.491648 3.558702 3.267610 4.543395 2.688888 3.920892 4.810253 3.295335 4.571253 5.974363 6.684903 6.097602 6.871360 8.155363 8.763449 8.165155 8.716617 3.068959 3.486932 4.673516 5.325305 4.922973 5.766203 6.184170 5.488845 7.111642 8.321996 8.355279 9.119048 8.618574 1.381462 2.395100 0.000000 4.721631 4.575251 3.757459 4.862116 4.427611 5.875329 4.027243 5.047496 5.888181 4.249475 5.651369 7.140021 7.890354 7.313360 7.877355 9.179975 9.692116 9.200588 9.812931 4.076774 4.437162 5.883109 6.478374 6.061190 6.730931 7.173499 6.205336 8.108356 9.243175 9.146112 10.067643 9.571901 2.407372 2.840608 1.351102 0.000000 3.159098 3.451069 2.607407 2.893021 3.498139 3.928620 2.236418 2.952819 3.873242 2.267248 3.563748 5.043157 5.764721 5.332406 5.872896 7.196005 7.775463 7.283873 7.757726 2.705332 3.791596 4.688469 5.333866 4.503509 5.566706 6.176468 5.380104 6.744473 8.039783 8.136173 8.741657 8.427648 2.083495 3.331811 1.082347 2.127548 0.000000 5.540968 5.037806 4.279936 5.864894 4.726237 6.803753 4.921965 6.291934 7.124476 5.578769 6.932264 8.341783 9.076762 8.357857 9.170048 10.430969 10.988674 10.372035 11.050826 4.972082 4.663754 6.251393 6.817299 6.855199 7.301326 7.506230 6.734343 8.800467 9.821316 9.669937 10.731991 10.032242 2.788508 2.471077 2.394977 1.447799 3.400486 0.000000 5.239056 4.380245 3.673849 5.653989 3.899109 6.456331 4.641833 6.399612 7.232048 5.885925 7.083984 8.330023 9.004157 8.166224 9.344843 10.541512 11.211064 10.407042 11.083982 4.894055 3.931506 5.418029 5.990019 6.518056 6.878238 6.815603 6.497249 8.445918 9.416541 9.336412 10.375773 9.482896 2.298464 1.365390 2.658457 2.389670 3.737538 1.387544 0.000000 6.701971 6.222184 5.509837 7.061626 5.918959 8.020460 6.136521 7.399765 8.209292 6.611792 8.015861 9.469215 10.227433 9.512530 10.209004 11.476384 11.975752 11.421348 12.138470 6.057977 5.764032 7.433524 7.960988 7.982047 8.329661 8.543254 7.628428 9.829852 10.789613 10.552596 11.713066 11.014587 4.018493 3.558753 3.553035 2.383657 4.487693 1.233256 2.268877 0.000000 6.074838 5.083494 4.475327 6.564412 4.547950 7.312730 5.547162 7.381110 8.197079 6.890577 8.070784 9.275600 9.936884 9.041082 10.316693 11.487525 12.172366 11.314383 12.023141 5.764937 4.521374 5.996898 6.517929 7.292881 7.509724 7.300782 7.108993 9.109118 9.989440 9.873803 10.987126 9.980065 3.211738 2.030594 3.675811 3.306894 4.754631 2.050681 1.017362 2.454381 0.000000 4.842173 3.420218 3.022890 5.311687 2.648934 5.718803 4.377900 6.551418 7.298828 6.466257 7.244601 8.074462 8.570271 7.604338 9.385495 10.409368 11.265327 10.165091 10.764331 5.033640 3.050170 3.802729 4.368041 5.879148 6.138060 5.545760 6.269619 7.677639 8.552830 8.684138 9.529560 8.342302 2.697928 1.679379 3.973475 4.518955 4.781266 3.986042 2.649922 4.904077 2.722020 0.000000 5.583871 5.761069 4.996895 5.611065 5.742712 6.674571 4.953867 5.394989 6.160950 4.418856 5.883831 7.475519 8.258409 7.852275 7.944467 9.278671 9.636090 9.394483 9.983069 4.789930 5.677797 7.109317 7.668262 6.839734 7.554861 8.217442 6.883914 8.794511 9.941148 9.778821 10.688667 10.402987 3.794477 4.336226 2.509113 1.495700 2.762610 2.534104 3.765213 2.898123 4.574903 6.014181 0.000000 5.979792 6.202769 5.658723 6.231703 6.462536 7.320632 5.726089 5.998332 6.636189 4.977668 6.640526 8.253979 8.908066 8.730630 8.740107 10.111443 10.451015 10.299098 10.773467 5.062410 5.962758 7.595569 8.047305 7.134172 7.650614 8.365554 6.783431 8.882242 9.929696 9.648624 10.690481 10.427381 4.425187 4.826237 3.225489 2.141350 3.526893 2.826429 4.111868 2.897972 4.808815 6.465460 1.094250 0.000000 6.514644 6.596963 5.662835 6.400470 6.277544 7.425287 5.594628 6.167121 6.999333 5.222986 6.460788 8.017025 8.936771 8.296165 8.357182 9.627024 9.923862 9.667439 10.413340 5.791935 6.545227 7.894442 8.521391 7.814116 8.585650 9.190227 7.956882 9.836918 11.003392 10.860372 11.750509 11.444529 4.418968 4.827429 3.221213 2.141339 3.514839 2.825939 4.111855 2.897275 4.811537 6.474728 1.094319 1.764986 0.000000 5.254697 5.692612 4.955186 5.113511 5.782499 6.174868 4.621975 4.645246 5.373892 3.620221 5.058384 6.676402 7.452364 7.193994 7.036003 8.389163 8.697865 8.580004 9.094769 4.464952 5.774187 7.020863 7.577175 6.448621 7.313406 8.119622 6.714555 8.413833 9.623297 9.514203 10.287638 10.159874 4.005767 4.834372 2.625022 2.137126 2.423260 3.446459 4.526690 3.964399 5.425179 6.496140 1.091378 1.777566 1.777622 0.000000</array>
</module>
<module cmlx:templateRef="l202.stoich">
<scalar cmlx:templateRef="stoich" dataType="xsd:string" dictRef="g:stoichiometry">C12H18N2O11P2S(2-)</scalar>
<scalar dataType="xsd:string" dictRef="cc:pointgroup">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
<scalar dataType="xsd:string" dictRef="cc:largestabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
<scalar dataType="xsd:string" dictRef="cc:largestconciseabelian">C1</scalar>
<scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
</module>
<module cmlx:templateRef="l202.orient">
<molecule cmlx:templateRef="atom" formalCharge="-2" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="0.100844" y3="0.985488" z3="0.226894">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a2" x3="-0.915414" y3="0.9507" z3="-0.92942">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="-1.028232" y3="-0.557772" z3="-1.183909">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="1.028675" y3="-0.168908" z3="-0.133267">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a5" x3="-1.165732" y3="-0.771341" z3="-2.244076">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a6" x3="1.742785" y3="0.166916" z3="-0.897005">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a7" x3="0.15546" y3="-1.153196" z3="-0.713569">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a8" x3="1.753973" y3="-0.755168" z3="1.056366">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a9" x3="2.371343" y3="0.025314" z3="1.513558">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a10" x3="1.036009" y3="-1.122505" z3="1.793783">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a11" x3="2.55748" y3="-1.879784" z3="0.694589">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="P" id="a12" x3="3.879482" y3="-1.661615" z3="-0.237116">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a13" x3="4.459538" y3="-0.290751" z3="0.01359">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a14" x3="3.585234" y3="-2.066499" z3="-1.66156">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a15" x3="4.777925" y3="-2.813641" z3="0.479881">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a16" x3="5.95616" y3="-3.241749" z3="-0.21762">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a17" x3="6.483594" y3="-3.923914" z3="0.448692">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a18" x3="5.685879" y3="-3.763007" z3="-1.139485">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a19" x3="6.602002" y3="-2.38903" z3="-0.448609">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a20" x3="-0.41318" y3="0.785548" z3="1.177415">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a21" x3="-1.878766" y3="1.394282" z3="-0.658456">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a22" x3="-0.3881" y3="1.541985" z3="-2.097424">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a23" x3="-0.363523" y3="2.505881" z3="-1.928726">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a24" x3="0.853419" y3="2.182831" z3="0.313416">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="P" id="a25" x3="0.040474" y3="3.587197" z3="0.528505">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a26" x3="-0.555024" y3="4.012714" z3="-0.798121">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a27" x3="-0.879487" y3="3.484231" z3="1.716752">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a28" x3="1.356409" y3="4.464729" z3="0.868044">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a29" x3="1.176136" y3="5.886394" z3="0.97235">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a30" x3="0.446269" y3="6.124094" z3="1.751479">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a31" x3="2.145629" y3="6.303321" z3="1.241962">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a32" x3="0.850093" y3="6.299818" z3="0.014423">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a33" x3="-2.19342" y3="-1.155933" z3="-0.469814">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a34" x3="-3.432435" y3="-1.004813" z3="-1.018348">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a35" x3="-2.01279" y3="-1.796876" z3="0.740559">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a36" x3="-3.023565" y3="-2.333216" z3="1.458995">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a37" x3="-0.98566" y3="-1.856595" z3="1.076582">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a38" x3="-4.362585" y3="-2.22397" z3="0.919356">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="N" id="a39" x3="-4.449695" y3="-1.557791" z3="-0.294684">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a40" x3="-5.383769" y3="-2.666661" z3="1.450514">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a41" x3="-5.383003" y3="-1.462683" z3="-0.688276">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="S" id="a42" x3="-3.744675" y3="-0.207446" z3="-2.463001">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a43" x3="-2.82746" y3="-3.034501" z3="2.765464">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a44" x3="-3.397897" y3="-2.539479" z3="3.557259">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a45" x3="-3.179621" y3="-4.068756" z3="2.703535">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a46" x3="-1.77149" y3="-3.037689" z3="3.041188">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C12H18N2O11P2S"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">442.14772199999993</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/12C.2N.11O.2P.S.18H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;2;3;4;8;16;29;34;35;36;38;43;33;39;7;11;13;14;15;22;24;26;27;28;40;12;25;42;5;6;9;10;17;18;19;20;21;23;30;31;32;37;41;44;45;46/rA:46nC0C0C0C0H0H0O0C0H0H0O0P0O0O0O0C0H0H0H0H0H0O0H0O0P0O0O0O0C0H0H0H0N0C0C0C0H0C0N0O0H0S0C0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.1008,.9855,.2269;-.9154,.9507,-.9294;-1.0282,-.5578,-1.1839;1.0287,-.1689,-.1333;-1.1657,-.7713,-2.2441;1.7428,.1669,-.897;.1555,-1.1532,-.7136;1.754,-.7552,1.0564;2.3713,.0253,1.5136;1.036,-1.1225,1.7938;2.5575,-1.8798,.6946;3.8795,-1.6616,-.2371;4.4595,-.2908,.0136;3.5852,-2.0665,-1.6616;4.7779,-2.8136,.4799;5.9562,-3.2417,-.2176;6.4836,-3.9239,.4487;5.6859,-3.763,-1.1395;6.602,-2.389,-.4486;-.4132,.7855,1.1774;-1.8788,1.3943,-.6585;-.3881,1.542,-2.0974;-.3635,2.5059,-1.9287;.8534,2.1828,.3134;.0405,3.5872,.5285;-.555,4.0127,-.7981;-.8795,3.4842,1.7168;1.3564,4.4647,.868;1.1761,5.8864,.9724;.4463,6.1241,1.7515;2.1456,6.3033,1.242;.8501,6.2998,.0144;-2.1934,-1.1559,-.4698;-3.4324,-1.0048,-1.0183;-2.0128,-1.7969,.7406;-3.0236,-2.3332,1.459;-.9857,-1.8566,1.0766;-4.3626,-2.224,.9194;-4.4497,-1.5578,-.2947;-5.3838,-2.6667,1.4505;-5.383,-1.4627,-.6883;-3.7447,-.2074,-2.463;-2.8275,-3.0345,2.7655;-3.3979,-2.5395,3.5573;-3.1796,-4.0688,2.7035;-1.7715,-3.0377,3.0412;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1413363 0.1050222 0.0723475</array>
</module>
</module>
<module cmlx:templateRef="l50X">
<scalar dataType="xsd:integer" dictRef="cc:ncycle">2</scalar>
<scalar dataType="xsd:double" dictRef="g:rbhflyp" units="nonsi:hartree">-2485.97351345</scalar>
</module>
<module cmlx:templateRef="l1102">
<list cmlx:templateRef="l1102">
<scalar dataType="xsd:string" dictRef="g:l1102">Symmetrizing basis deriv contribution to polar:</scalar>
<scalar dataType="xsd:string" dictRef="g:l1102">IMax=3 JMax=2 DiffMx= 0.00D+00</scalar>
</list>
</module>
<module cmlx:templateRef="l1002.minotr">
<list cmlx:templateRef="l1002">
<scalar dataType="xsd:string" dictRef="g:l1002.minotr">IDoAtm=1111111111111111111111111111111111111111111111</scalar>
<scalar dataType="xsd:string" dictRef="g:l1002.minotr">NEqPCM:  Using equilibrium solvation (IEInf=0, Eps=  78.3553, EpsInf=   1.7778)</scalar>
<scalar dataType="xsd:string" dictRef="g:l1002.minotr">Differentiating once with respect to electric field.</scalar>
<scalar dataType="xsd:string" dictRef="g:l1002.minotr">with respect to dipole field.</scalar>
<scalar dataType="xsd:string" dictRef="g:l1002.minotr">Differentiating once with respect to nuclear coordinates.</scalar>
<scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu exits because no D1Ps are significant.</scalar>
<scalar dataType="xsd:string" dictRef="g:l1002.minotr">There are   141 degrees of freedom in the 1st order CPHF.  IDoFFX=6 NUNeed=     3.</scalar>
<scalar dataType="xsd:string" dictRef="g:l1002.minotr">138 vectors produced by pass  0 Test12= 6.17D-14 1.00D-09 XBig12= 1.40D+02 4.59D+00.</scalar>
<scalar dataType="xsd:string" dictRef="g:l1002.minotr">AX will form   138 AO Fock derivatives at one time.</scalar>
<scalar dataType="xsd:string" dictRef="g:l1002.minotr">138 vectors produced by pass  1 Test12= 6.17D-14 1.00D-09 XBig12= 1.25D+01 4.44D-01.</scalar>
<scalar dataType="xsd:string" dictRef="g:l1002.minotr">138 vectors produced by pass  2 Test12= 6.17D-14 1.00D-09 XBig12= 3.23D-01 7.97D-02.</scalar>
<scalar dataType="xsd:string" dictRef="g:l1002.minotr">138 vectors produced by pass  3 Test12= 6.17D-14 1.00D-09 XBig12= 3.81D-03 6.54D-03.</scalar>
<scalar dataType="xsd:string" dictRef="g:l1002.minotr">138 vectors produced by pass  4 Test12= 6.17D-14 1.00D-09 XBig12= 2.94D-05 3.23D-04.</scalar>
<scalar dataType="xsd:string" dictRef="g:l1002.minotr">138 vectors produced by pass  5 Test12= 6.17D-14 1.00D-09 XBig12= 1.87D-07 2.51D-05.</scalar>
<scalar dataType="xsd:string" dictRef="g:l1002.minotr">119 vectors produced by pass  6 Test12= 6.17D-14 1.00D-09 XBig12= 8.64D-10 1.96D-06.</scalar>
<scalar dataType="xsd:string" dictRef="g:l1002.minotr">29 vectors produced by pass  7 Test12= 6.17D-14 1.00D-09 XBig12= 3.34D-12 8.96D-08.</scalar>
<scalar dataType="xsd:string" dictRef="g:l1002.minotr">3 vectors produced by pass  8 Test12= 6.17D-14 1.00D-09 XBig12= 1.17D-14 4.81D-09.</scalar>
<scalar dataType="xsd:string" dictRef="g:l1002.minotr">InvSVY:  IOpt=1 It=  1 EMax= 1.42D-14</scalar>
<scalar dataType="xsd:string" dictRef="g:l1002.minotr">Solved reduced A of dimension   979 with   141 vectors.</scalar>
<scalar dataType="xsd:string" dictRef="g:l1002.minotr">Isotropic polarizability for W=    0.000000      359.52 Bohr**3.</scalar>
<scalar dataType="xsd:string" dictRef="g:l1002.minotr">End of Minotr F.D. properties file   721 does not exist.</scalar>
</list>
</module>
</module>
</module>
<module dictRef="cc:finalization" id="finalization">
<propertyList>
<property dictRef="cc:jobtime">
<scalar dataType="xsd:string">PT43366.700S</scalar>
</property>
<property dictRef="cc:jobdatetime.end">
<scalar dataType="xsd:string">Thu Feb  6 08:56:42 2025</scalar>
</property>
<property dictRef="cc:popanal">
<module cmlx:templateRef="l601.popanal">
<array dataType="xsd:double" dictRef="g:alphaocc" size="120">-89.88705 -78.18761 -78.18016 -19.68031 -19.67440 -19.66698 -19.66518 -19.66159 -19.65261 -19.64178 -19.60692 -19.60418 -19.59932 -19.59817 -14.85325 -14.83427 -10.69570 -10.68411 -10.66085 -10.62107 -10.61966 -10.61459 -10.61233 -10.60533 -10.59162 -10.58895 -10.57734 -10.54413 -8.23319 -6.96805 -6.96055 -6.15450 -6.15009 -6.14790 -5.08656 -5.08575 -5.08396 -5.07894 -5.07830 -5.07655 -1.21862 -1.20625 -1.19788 -1.19123 -1.16151 -1.14866 -1.14592 -1.13947 -1.09357 -1.08553 -1.05673 -1.05382 -1.04952 -0.94008 -0.89799 -0.87792 -0.85513 -0.81092 -0.79460 -0.78377 -0.77506 -0.76661 -0.73253 -0.70860 -0.69318 -0.65679 -0.64554 -0.63700 -0.63563 -0.60757 -0.60092 -0.59693 -0.58421 -0.58016 -0.57257 -0.55985 -0.55196 -0.54749 -0.54152 -0.53843 -0.53581 -0.52831 -0.52423 -0.50790 -0.50470 -0.49963 -0.49714 -0.49221 -0.48472 -0.47994 -0.47536 -0.47142 -0.46603 -0.45900 -0.45087 -0.44773 -0.44087 -0.43419 -0.43004 -0.42754 -0.41512 -0.40568 -0.39624 -0.39121 -0.39034 -0.38888 -0.38569 -0.38361 -0.38064 -0.37434 -0.36547 -0.35882 -0.35612 -0.35006 -0.34554 -0.33896 -0.33457 -0.32346 -0.28773 -0.27717</array>
<array dataType="xsd:double" dictRef="g:alphavirt" size="514">-0.01851 -0.00464 0.01062 0.01832 0.02029 0.02492 0.03393 0.03517 0.03708 0.04122 0.04199 0.04837 0.05401 0.05524 0.05712 0.06129 0.06274 0.06719 0.07353 0.07669 0.08216 0.08587 0.09172 0.09182 0.09697 0.09722 0.10112 0.10185 0.10954 0.11100 0.11547 0.11772 0.12052 0.12548 0.12893 0.13408 0.13831 0.14351 0.14441 0.14671 0.14854 0.15188 0.15413 0.15573 0.16040 0.16276 0.16438 0.16734 0.16869 0.17143 0.17488 0.17624 0.17831 0.18386 0.18585 0.18693 0.19089 0.19563 0.19768 0.20112 0.20360 0.20742 0.20830 0.21270 0.21632 0.21844 0.21930 0.22349 0.22583 0.22803 0.23253 0.23519 0.23735 0.23991 0.24238 0.24283 0.24821 0.25036 0.25147 0.25530 0.25786 0.26112 0.26328 0.26815 0.27017 0.27190 0.27721 0.27769 0.28243 0.28536 0.28864 0.28950 0.29698 0.29824 0.29996 0.30299 0.30553 0.30831 0.30873 0.31135 0.31242 0.31678 0.31930 0.32128 0.32220 0.32445 0.32717 0.33079 0.33201 0.33720 0.34049 0.34360 0.34760 0.35057 0.35251 0.35681 0.35868 0.36113 0.36700 0.36961 0.37269 0.37425 0.37805 0.38106 0.38433 0.38720 0.39144 0.39514 0.39861 0.40021 0.40445 0.40835 0.41214 0.41644 0.41826 0.42348 0.42691 0.43064 0.43771 0.44171 0.44392 0.44718 0.44816 0.45479 0.46020 0.46275 0.46874 0.47623 0.48190 0.49011 0.49101 0.49717 0.50452 0.51409 0.51779 0.52020 0.52531 0.54642 0.55665 0.56874 0.57529 0.59726 0.61959 0.62476 0.63700 0.65540 0.66223 0.66751 0.68440 0.69424 0.69727 0.70090 0.70634 0.72481 0.73276 0.73609 0.74070 0.75371 0.75480 0.75836 0.75998 0.76719 0.77121 0.77421 0.78192 0.78256 0.78640 0.79766 0.80564 0.81144 0.82405 0.82818 0.84011 0.84584 0.85159 0.85632 0.86728 0.87569 0.88585 0.89703 0.90713 0.90950 0.92650 0.93714 0.94046 0.95493 0.96538 0.97236 0.97691 0.99399 0.99643 0.99896 1.00622 1.01660 1.02443 1.02642 1.02841 1.04024 1.05195 1.06221 1.07141 1.08194 1.09176 1.09567 1.10653 1.11081 1.11683 1.12481 1.14354 1.14672 1.15384 1.15778 1.16538 1.16676 1.17275 1.17548 1.17686 1.18358 1.18651 1.19580 1.21099 1.21389 1.21928 1.23280 1.23883 1.24956 1.25750 1.26259 1.27484 1.28735 1.29220 1.30562 1.30733 1.31062 1.32163 1.32524 1.32910 1.33766 1.34128 1.35108 1.35793 1.36701 1.37224 1.37756 1.38758 1.39217 1.40098 1.40169 1.40679 1.41503 1.41848 1.42801 1.43274 1.43499 1.43898 1.44180 1.44627 1.45270 1.45483 1.46474 1.46905 1.47196 1.47535 1.47811 1.48679 1.49660 1.51132 1.51646 1.52314 1.52523 1.53306 1.54170 1.54815 1.56701 1.57068 1.58516 1.58897 1.60842 1.61247 1.62623 1.63301 1.64616 1.64974 1.65148 1.66214 1.67543 1.68029 1.69293 1.69486 1.70959 1.72277 1.73937 1.75301 1.76310 1.76703 1.77206 1.77392 1.79451 1.79552 1.80562 1.81512 1.83235 1.83758 1.84085 1.85195 1.85916 1.86272 1.86615 1.87317 1.88273 1.88507 1.89532 1.90258 1.91181 1.91633 1.91991 1.93399 1.94697 1.95409 1.95977 1.96432 1.96752 1.97576 1.97939 1.99335 1.99710 1.99893 2.00620 2.01050 2.01953 2.02222 2.02551 2.04048 2.04663 2.05688 2.06703 2.07235 2.07858 2.08852 2.09058 2.09374 2.09628 2.09789 2.10461 2.10939 2.13161 2.13654 2.14112 2.14354 2.15099 2.16823 2.16952 2.17350 2.18491 2.18641 2.19932 2.20091 2.20711 2.21750 2.22470 2.23166 2.23704 2.25435 2.25952 2.26771 2.28272 2.29348 2.29764 2.31252 2.31953 2.33695 2.34499 2.35623 2.35987 2.37701 2.38446 2.39468 2.40778 2.42309 2.43762 2.46132 2.47022 2.47741 2.50591 2.50948 2.51275 2.52533 2.54382 2.55047 2.56073 2.57367 2.58712 2.59215 2.60358 2.62137 2.62238 2.62683 2.62877 2.64945 2.65624 2.65860 2.67379 2.67691 2.68735 2.69153 2.70810 2.72245 2.72615 2.73448 2.74658 2.76569 2.77414 2.78708 2.80138 2.81288 2.83874 2.84198 2.85534 2.85781 2.86520 2.88619 2.89061 2.89515 2.89693 2.90210 2.90646 2.91202 2.93177 2.94004 2.94995 2.96293 2.97815 2.98623 2.99451 3.00396 3.00963 3.02297 3.02495 3.05555 3.07151 3.10381 3.14593 3.15723 3.20636 3.22699 3.24628 3.25132 3.25377 3.26583 3.29216 3.34747 3.36648 3.40422 3.43089 3.43409 3.43903 3.44524 3.44794 3.44922 3.48806 3.49439 3.51113 3.52683 3.55082 3.63670 3.64783 3.65715 3.67997 4.09604 4.21052 4.25970 4.27969 4.30028 4.30733 4.32909 4.36027 4.39451 4.41896 4.45584 4.49204 4.50856 4.52261 4.57751 4.59057 4.60351 4.62211 4.64369 4.70580 4.73171 4.77771 4.83476 4.89638 4.95929 5.01372</array>
<module cmlx:templateRef="l601.state">
<scalar dataType="xsd:string" dictRef="g:l601.state">1-A.</scalar>
</module>
<module cmlx:templateRef="mulliken">
<module cmlx:templateRef="l601.mullik">
<scalar dataType="xsd:string" dictRef="g:title">Mulliken charges:</scalar>
<scalar dataType="xsd:integer" dictRef="cc:serial">1</scalar>
<list cmlx:templateRef="row">
<array dataType="xsd:integer" dictRef="cc:serial" size="46">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</array>
<array dataType="xsd:string" dictRef="cc:elementType" size="46">C C C C H H O C H H O P O O O C H H H H H O H O P O O O C H H H N C C C H C N O H S C H H H</array>
<array dataType="xsd:double" dictRef="x:charge" size="46">0.044390 -0.143311 -0.371960 -0.442274 0.229923 0.219267 -0.328414 0.017684 0.205567 0.196871 -0.722770 2.120179 -0.968652 -0.979250 -0.748423 -0.301420 0.186373 0.184741 0.181143 0.232944 0.226086 -0.595346 0.462352 -0.826969 2.248525 -1.011379 -0.930895 -0.736480 -0.284241 0.186016 0.190908 0.187939 -0.031100 -0.099947 -0.009387 0.334273 0.245354 0.365603 -0.337041 -0.658747 0.419989 -0.019952 -0.731246 0.200127 0.200786 0.192164</array>
</list>
<scalar dataType="xsd:double" dictRef="x:chargesum">-2.00000</scalar>
</module>
</module>
</module>
</property>
<property>
<module cmlx:templateRef="l601.mullik">
<scalar dataType="xsd:string" dictRef="g:title">Mulliken charges with hydrogens summed into heavy atoms:</scalar>
<scalar dataType="xsd:integer" dictRef="cc:serial">1</scalar>
<list cmlx:templateRef="row">
<array dataType="xsd:integer" dictRef="cc:serial" size="28">1 2 3 4 7 8 11 12 13 14 15 16 22 24 25 26 27 28 29 33 34 35 36 38 39 40 42 43</array>
<array dataType="xsd:string" dictRef="cc:elementType" size="28">C C C C O C O P O O O C O O P O O O C N C C C C N O S C</array>
<array dataType="xsd:double" dictRef="x:charge" size="28">0.277334 0.082775 -0.142036 -0.223007 -0.328414 0.420122 -0.722770 2.120179 -0.968652 -0.979250 -0.748423 0.250836 -0.132994 -0.826969 2.248525 -1.011379 -0.930895 -0.736480 0.280623 -0.031100 -0.099947 0.235967 0.334273 0.365603 0.082948 -0.658747 -0.019952 -0.138168</array>
</list>
<scalar dataType="xsd:double" dictRef="x:chargesum">-2.00000</scalar>
</module>
</property>
<property>
<module cmlx:templateRef="l601.polariz">
<array dataType="xsd:double" dictRef="g:l601.pol.exact" size="6">370.508 18.895 331.031 -5.533 -49.220 377.036</array>
<array dataType="xsd:double" dictRef="g:l601.pol.approx" size="6">301.165 12.735 272.349 -5.109 -37.833 313.270</array>
</module>
</property>
<property dictRef="cc:frequencies">
<module cmlx:templateRef="l716.forcematrix">
<module cmlx:templateRef="lowfreq">
<array cmlx:templateRef="lowfreq" dataType="xsd:double" dictRef="g:1716.lowfreq" size="9">-7.7129 0.0006 0.0010 0.0012 7.0582 8.2883 12.2510 23.0732 24.9540</array>
</module>
<module cmlx:templateRef="l716.freq.chunkx" dictRef="cc:vibrations" id="default">
<array dataType="xsd:integer" dictRef="x:serial" size="132">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</array>
<array dataType="xsd:string" delimiter="|" dictRef="cc:irrep" size="132">A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A</array>
<array dataType="xsd:double" dictRef="cc:frequency" size="132">8.9007 22.9832 24.8685 34.0217 36.0099 38.8348 44.7458 53.9606 63.5882 74.0792 88.3015 108.2549 120.3517 128.3479 136.6732 142.1757 159.2989 168.7877 174.4922 198.1436 204.3977 223.3740 236.4982 254.8569 270.4493 276.4738 298.8766 308.7058 326.0079 336.9318 343.1141 355.2627 366.4624 385.8453 417.9226 424.0626 437.4286 444.7724 460.7977 462.4307 474.2415 508.9541 547.4835 567.6138 572.8136 592.3889 597.6859 624.5021 659.7098 690.0055 696.0209 726.8934 752.9570 758.9338 768.1856 778.0537 787.0377 792.1758 849.7636 883.2559 892.3350 941.7031 943.7107 1019.0333 1032.2798 1066.6230 1073.5907 1077.7768 1079.1609 1090.1519 1105.1420 1115.1179 1124.2729 1142.4027 1160.1307 1171.3951 1181.5051 1185.1895 1195.5578 1202.5264 1205.3163 1206.1296 1211.9005 1214.5267 1242.4969 1258.9591 1279.7859 1284.3751 1289.9299 1300.8632 1306.2287 1336.9289 1354.7890 1375.4758 1389.7129 1397.2072 1414.6995 1419.7246 1423.3151 1457.8596 1459.5199 1473.1585 1476.0005 1480.6920 1480.7311 1485.2957 1489.3937 1490.8661 1493.7547 1495.1288 1497.1011 1522.7513 1702.2468 1725.4232 3073.4791 3076.6378 3077.4224 3078.1987 3085.3371 3097.3477 3120.0074 3142.9058 3158.1222 3158.7018 3158.9954 3165.6721 3179.4506 3192.4391 3197.6701 3285.5974 3580.5645 3601.7535</array>
<array dataType="xsd:double" dictRef="cc:redmass" size="132">5.9335 6.7085 6.9134 6.7373 6.4822 3.4277 5.0163 6.5581 2.9776 5.6618 6.8387 5.2189 5.4785 1.4298 4.6568 2.0613 2.6391 2.7554 1.3671 5.2252 5.7600 4.0701 5.2117 5.6551 4.6228 4.5968 4.6614 5.0839 5.9650 6.4400 9.7318 6.9772 9.2980 4.7213 4.2287 6.8641 7.2812 8.8117 12.8121 8.3483 4.7869 5.6917 6.3822 2.3523 2.1243 5.0231 6.3452 4.7458 4.9222 3.0498 1.6520 5.6530 7.1301 6.7330 6.7171 7.3849 6.9911 6.9205 11.3483 2.6270 3.7170 1.4673 2.3572 2.1361 1.6236 1.4760 8.9005 12.7620 13.5607 7.6007 2.5803 6.5078 5.3105 3.4275 2.7197 2.5579 1.3039 1.2868 4.7171 5.5257 9.3145 4.7449 1.4453 1.4003 3.5433 1.6523 1.7054 1.5015 1.6951 2.0183 1.3163 1.4775 1.3363 1.3986 1.4831 1.5950 1.4206 1.6677 1.7315 1.7830 1.0409 1.6127 1.2254 1.1338 1.0916 1.1333 3.3255 1.0453 1.0433 1.0435 1.0445 3.7824 9.3870 7.0702 1.0850 1.0370 1.0318 1.0318 1.0851 1.0602 1.0882 1.1023 1.1068 1.1077 1.1077 1.0888 1.1032 1.1053 1.1050 1.0930 1.0798 1.0680</array>
<array dataType="xsd:double" dictRef="cc:forceconst" size="132">0.0003 0.0021 0.0025 0.0046 0.0050 0.0030 0.0059 0.0113 0.0071 0.0183 0.0314 0.0360 0.0468 0.0139 0.0513 0.0245 0.0395 0.0463 0.0245 0.1209 0.1418 0.1197 0.1717 0.2164 0.1992 0.2070 0.2453 0.2855 0.3735 0.4307 0.6750 0.5188 0.7357 0.4141 0.4352 0.7273 0.8209 1.0270 1.6028 1.0518 0.6343 0.8687 1.1271 0.4465 0.4107 1.0386 1.3355 1.0905 1.2622 0.8555 0.4715 1.7598 2.3817 2.2849 2.3354 2.6340 2.5514 2.5588 4.8281 1.2075 1.7438 0.7667 1.2369 1.3069 1.0193 0.9894 6.0443 8.7343 9.3047 5.3221 1.8568 4.7679 3.9548 2.6355 2.1567 2.0680 1.0724 1.0650 3.9725 4.7079 7.9728 4.0669 1.2507 1.2170 3.2229 1.5430 1.6457 1.4594 1.6618 2.0124 1.3232 1.5559 1.4451 1.5591 1.6876 1.8345 1.6751 1.9806 2.0667 2.2327 1.3064 2.0620 1.5729 1.4646 1.4102 1.4731 4.3463 1.3689 1.3716 1.3744 1.3793 5.1674 16.0259 12.4014 6.0385 5.7832 5.7574 5.7600 6.0859 5.9924 6.2409 6.4154 6.5039 6.5115 6.5126 6.4285 6.5704 6.6368 6.6568 6.9515 8.1563 8.1629</array>
<array dataType="xsd:double" dictRef="cc:irintensity" size="132">0.7243 0.1405 2.1718 10.0866 8.7989 11.9741 2.9868 6.4392 12.0728 4.7324 3.2648 2.6199 4.5857 4.0013 5.0377 3.2015 5.1826 9.5349 7.4061 13.7394 4.4526 12.8931 38.1132 67.5426 20.8556 32.6827 1.1567 9.8265 7.0649 3.0289 3.3258 5.1608 6.9301 8.7761 21.1839 27.9976 32.7302 28.3704 88.9613 150.4222 74.3315 75.1115 177.2021 140.8682 181.4067 16.7553 10.0199 12.9295 26.8043 44.4273 71.3593 50.2211 78.4314 150.4549 69.5726 241.5169 99.4144 401.0150 378.4161 33.2546 50.2149 62.8268 31.0213 29.0597 67.7151 3.2221 978.1331 102.8685 399.8561 537.5815 68.3221 78.3641 14.6359 244.2488 110.2204 176.1818 43.8678 22.1319 724.2666 127.2126 449.8722 461.8254 18.8860 39.9655 253.6358 167.5484 161.3089 12.1985 143.5317 309.0672 138.2707 37.4985 4.4060 10.3915 87.7957 53.0845 6.5309 70.0102 4.2650 24.5347 16.1110 8.0501 5.5565 2.1854 10.5370 2.8653 156.8058 11.4477 11.1963 21.1345 18.7862 1467.5987 1881.9438 150.3844 7.2407 24.6703 53.0895 48.9572 49.4230 37.9909 26.4456 12.2449 33.1109 25.1487 32.2919 2.9879 13.2844 21.1175 16.9524 28.5362 193.9313 694.7332</array>
<array dataType="xsd:double" dictRef="cc:displacement" size="18216">-0.01 -0.06 -0.01 -0.02 -0.03 -0.00 -0.05 -0.02 -0.01 -0.04 -0.07 -0.03 -0.07 -0.01 -0.01 -0.04 -0.07 -0.04 -0.06 -0.05 -0.03 -0.03 -0.09 -0.05 -0.06 -0.08 -0.02 -0.02 -0.14 -0.06 0.01 -0.05 -0.08 0.04 0.04 -0.02 -0.10 0.10 -0.06 0.15 -0.06 -0.02 0.12 0.16 0.07 0.20 0.25 0.14 0.24 0.33 0.19 0.30 0.19 0.14 0.12 0.31 0.14 -0.01 -0.05 -0.01 -0.01 -0.01 0.01 -0.02 -0.03 -0.00 0.00 -0.03 0.01 0.01 -0.07 -0.01 0.04 -0.06 0.01 0.04 -0.04 0.02 0.05 -0.04 0.02 0.07 -0.09 0.00 0.10 -0.08 0.01 0.11 -0.07 0.01 0.11 -0.11 0.01 0.10 -0.07 0.01 -0.06 -0.00 -0.01 -0.06 0.02 0.00 -0.06 -0.01 -0.01 -0.07 0.02 0.00 -0.06 -0.03 -0.02 -0.07 0.05 0.01 -0.07 0.05 0.01 -0.08 0.07 0.03 -0.07 0.07 0.02 -0.06 0.03 0.01 -0.07 0.02 0.00 -0.05 0.03 0.01 -0.10 0.03 0.01 -0.07 -0.01 -0.01 -0.01 0.04 -0.05 -0.04 0.05 -0.03 -0.04 0.06 -0.05 -0.02 0.04 -0.07 -0.08 0.08 -0.05 -0.00 0.05 -0.05 -0.02 0.06 -0.11 -0.04 0.01 -0.07 -0.02 -0.02 -0.06 -0.06 0.02 -0.08 -0.08 -0.01 -0.08 0.00 -0.05 0.03 -0.01 -0.05 0.04 0.12 -0.09 0.02 -0.06 -0.03 0.14 -0.01 -0.07 0.24 -0.08 -0.06 0.30 0.06 -0.08 0.23 0.02 -0.08 0.28 0.00 0.03 -0.04 -0.03 0.05 0.00 -0.06 0.07 -0.03 -0.06 0.07 -0.02 -0.01 0.04 -0.05 0.01 0.04 -0.02 -0.03 0.05 -0.00 0.04 0.04 0.00 0.02 0.03 -0.06 0.03 0.03 -0.05 0.06 0.03 -0.03 0.04 0.03 -0.08 0.01 0.03 -0.04 -0.01 0.03 -0.01 -0.03 0.04 0.05 0.05 -0.04 -0.06 0.09 -0.10 -0.05 0.06 -0.04 -0.11 0.07 -0.09 0.01 0.00 -0.02 0.05 0.10 -0.15 0.02 -0.01 -0.01 0.10 -0.11 0.12 0.10 0.16 -0.18 -0.11 0.18 -0.24 -0.05 0.18 -0.18 -0.16 0.17 -0.18 -0.15 0.01 -0.02 -0.05 0.03 -0.01 -0.07 0.02 -0.01 -0.06 0.02 -0.01 -0.06 -0.00 -0.02 -0.06 0.03 0.00 -0.05 0.03 -0.00 -0.08 0.01 -0.02 -0.06 0.02 -0.02 -0.05 0.01 -0.01 -0.06 -0.00 -0.02 -0.06 0.03 -0.04 -0.01 0.04 -0.04 -0.00 0.08 -0.05 -0.02 0.00 -0.04 0.03 0.02 -0.06 0.07 -0.01 -0.06 0.09 0.05 -0.06 0.06 0.04 -0.07 0.08 -0.01 -0.04 -0.07 0.03 -0.00 -0.08 0.05 -0.02 -0.06 0.06 -0.02 -0.07 -0.02 -0.01 -0.01 -0.08 -0.04 -0.03 0.06 0.01 -0.08 -0.20 -0.13 -0.14 -0.14 -0.02 0.16 -0.20 -0.03 0.24 -0.29 -0.11 0.17 -0.24 -0.02 0.38 -0.10 0.03 0.23 0.03 0.01 -0.03 0.01 0.05 0.02 0.05 0.01 -0.03 0.06 0.07 0.02 0.06 -0.04 -0.08 0.04 0.13 0.08 0.02 0.11 0.07 0.04 0.19 0.14 0.01 0.14 0.11 -0.01 0.02 0.01 0.09 0.07 0.02 0.15 0.11 0.04 0.03 0.09 0.05 0.10 0.02 -0.03 -0.02 -0.04 0.00 0.01 -0.03 -0.02 -0.02 -0.03 -0.00 -0.02 -0.05 0.02 -0.03 -0.04 -0.00 -0.00 -0.05 0.04 -0.02 -0.04 -0.01 -0.05 -0.05 0.04 -0.10 -0.04 0.08 -0.07 -0.10 -0.00 0.01 -0.01 0.04 0.02 0.09 0.07 0.04 0.05 0.24 0.01 0.28 0.01 -0.01 -0.01 -0.08 -0.04 0.01 -0.15 -0.04 -0.06 -0.22 -0.08 0.10 -0.18 -0.02 0.02 -0.10 -0.04 -0.03 -0.01 0.01 -0.00 -0.05 0.05 -0.07 -0.02 0.08 -0.06 -0.04 -0.00 -0.05 0.01 0.02 -0.03 -0.06 0.14 -0.01 -0.11 -0.08 -0.01 -0.13 0.01 -0.06 0.05 0.08 -0.04 -0.13 -0.09 0.08 -0.32 0.04 -0.08 0.06 0.32 -0.12 -0.24 -0.02 -0.01 0.01 -0.03 0.05 0.05 -0.01 -0.07 -0.02 -0.01 -0.07 -0.02 -0.00 -0.12 -0.05 -0.02 -0.00 0.02 -0.03 0.05 0.05 -0.02 0.01 0.03 -0.03 0.10 0.08 -0.04 0.10 0.08 0.00 -0.15 -0.06 0.04 -0.18 -0.02 -0.03 -0.14 -0.11 0.01 -0.20 -0.09 -0.02 -0.02 -0.05 -0.04 -0.02 -0.03 -0.02 -0.02 -0.05 -0.02 -0.02 -0.06 -0.03 -0.01 -0.05 -0.01 -0.01 -0.05 -0.02 -0.01 -0.06 -0.02 -0.02 -0.06 -0.04 -0.02 -0.04 -0.02 -0.04 -0.07 0.00 -0.00 -0.07 0.07 0.05 0.04 0.11 -0.00 0.23 0.16 0.20 -0.02 -0.03 -0.07 -0.01 -0.04 -0.11 -0.00 -0.11 -0.19 -0.03 -0.05 -0.04 -0.04 0.03 -0.14 0.06 0.00 -0.02 -0.04 -0.04 -0.04 -0.01 -0.07 0.01 -0.03 -0.09 0.01 -0.01 -0.01 -0.02 -0.06 -0.00 -0.03 0.02 -0.18 -0.06 0.09 0.15 -0.00 0.14 0.03 -0.01 -0.17 -0.01 -0.04 0.08 0.25 -0.18 0.37 0.06 -0.01 -0.22 -0.38 0.07 0.24 -0.02 -0.02 -0.04 -0.02 -0.02 -0.03 -0.01 0.01 -0.03 -0.00 0.05 0.01 -0.00 0.00 -0.04 -0.01 0.06 0.03 -0.02 0.02 0.01 -0.01 0.11 0.07 -0.02 0.02 0.02 -0.03 -0.06 -0.05 0.01 0.09 0.03 0.03 0.13 0.02 -0.02 0.10 0.07 0.01 0.07 0.01 -0.01 0.01 -0.02 -0.01 0.00 -0.01 -0.02 -0.00 0.01 -0.01 0.00 0.00 -0.02 -0.01 0.01 -0.01 -0.01 0.00 -0.02 -0.00 0.01 -0.02 0.02 0.01 -0.03 0.03 0.01 -0.03 0.02 0.01 -0.01 0.02 0.04 -0.03 0.02 0.01 -0.03 0.02 0.00 -0.05 0.02 0.02 -0.01 0.02 -0.00 -0.02 0.03 -0.02 -0.01 0.03 -0.03 -0.03 0.03 -0.02 -0.03 0.04 -0.03 -0.01 0.04 -0.01 -0.00 0.01 -0.02 -0.00 -0.02 -0.03 0.02 -0.02 -0.04 0.01 0.00 -0.04 0.05 0.03 -0.07 0.09 0.02 -0.09 0.02 0.08 -0.09 0.07 -0.01 -0.05 0.04 -0.04 0.31 0.25 -0.25 0.56 0.10 -0.06 0.13 -0.24 0.16 0.49 -0.01 0.00 0.02 -0.01 -0.02 0.01 -0.01 0.01 0.02 -0.00 -0.02 0.01 -0.01 0.04 0.03 0.00 -0.05 -0.00 -0.01 -0.05 0.00 0.01 -0.09 -0.02 -0.01 -0.07 -0.01 -0.02 -0.03 0.01 0.00 -0.01 0.01 -0.02 -0.03 0.01 0.04 -0.02 0.01 0.00 0.02 0.03 -0.00 0.02 0.01 -0.04 0.04 0.04 -0.05 0.04 0.02 -0.02 0.02 -0.03 -0.07 0.06 0.02 -0.04 0.02 -0.05 -0.05 0.03 -0.01 0.01 0.00 -0.06 0.03 -0.01 -0.07 0.03 -0.00 -0.04 -0.01 0.00 -0.11 0.05 0.01 -0.02 0.06 -0.01 0.06 0.13 0.05 -0.05 -0.02 -0.04 -0.00 -0.01 -0.08 0.04 -0.07 -0.11 0.05 -0.00 -0.06 0.02 0.04 -0.11 0.07 0.02 0.01 0.02 -0.03 0.04 0.07 -0.07 0.05 0.02 -0.03 0.05 0.04 0.01 0.01 0.00 0.03 0.02 0.01 0.13 0.10 -0.01 -0.07 -0.03 -0.06 0.02 -0.02 0.16 0.09 0.00 -0.02 -0.13 0.13 -0.27 0.04 -0.05 0.24 0.43 -0.06 -0.16 -0.04 0.03 0.02 -0.04 -0.06 -0.02 -0.04 0.10 0.06 -0.03 0.06 0.05 -0.05 0.19 0.10 -0.01 -0.07 -0.01 -0.02 -0.12 -0.04 0.00 -0.14 -0.04 -0.02 -0.19 -0.07 -0.05 -0.10 -0.03 -0.02 0.16 0.10 -0.10 0.16 0.04 0.06 0.13 0.15 -0.03 0.26 0.14 0.04 0.01 0.03 0.01 -0.01 0.05 -0.01 -0.02 0.10 0.02 -0.00 0.01 0.00 -0.04 0.10 -0.04 -0.04 -0.06 -0.03 -0.03 0.13 0.12 0.04 -0.03 0.16 0.06 -0.10 0.18 0.06 0.04 0.10 0.03 -0.07 0.12 -0.00 -0.04 0.14 -0.01 -0.05 0.16 -0.04 -0.04 0.09 -0.00 0.01 0.02 -0.16 -0.01 0.00 -0.13 0.03 -0.07 -0.24 0.06 0.07 -0.24 -0.14 0.06 0.00 0.04 0.02 0.01 0.06 -0.00 -0.05 0.03 -0.02 -0.05 -0.01 0.02 0.02 -0.00 -0.02 0.01 -0.05 -0.03 -0.05 -0.06 -0.03 0.02 -0.05 -0.06 0.06 -0.07 -0.15 0.04 0.03 -0.05 -0.06 0.15 -0.14 0.10 -0.09 -0.32 0.08 0.11 -0.04 0.02 0.08 -0.02 0.05 0.05 -0.09 -0.01 0.07 -0.12 -0.03 0.01 -0.10 -0.00 0.12 -0.10 -0.03 -0.04 -0.05 0.03 -0.01 -0.11 -0.07 -0.11 -0.04 0.04 -0.04 0.03 0.13 0.08 -0.18 -0.07 0.00 -0.23 -0.10 -0.01 -0.16 -0.07 -0.05 -0.19 -0.07 0.06 0.02 0.00 0.01 0.02 0.01 0.01 0.00 0.01 0.02 0.01 -0.00 0.01 -0.00 0.00 0.02 0.01 -0.01 0.00 0.00 0.00 0.02 0.01 -0.02 -0.00 0.04 -0.03 -0.01 0.02 -0.00 0.01 -0.02 -0.04 -0.02 -0.02 -0.05 -0.02 0.07 -0.10 0.06 -0.05 0.06 -0.04 -0.08 -0.14 -0.09 0.14 0.18 0.07 0.02 0.01 -0.02 0.42 0.46 -0.17 0.12 0.32 0.52 0.02 0.01 0.01 0.02 0.02 0.00 0.02 -0.01 0.00 0.02 -0.01 -0.01 0.01 0.01 0.01 -0.01 0.00 -0.01 -0.01 -0.02 -0.02 -0.00 0.01 -0.01 -0.02 0.03 -0.03 -0.06 0.02 -0.01 -0.02 -0.01 0.03 -0.06 0.05 -0.05 -0.12 0.02 0.01 -0.00 0.02 0.02 0.00 0.01 0.01 -0.01 0.03 0.03 -0.01 0.02 0.02 -0.01 0.05 0.04 -0.00 -0.01 -0.01 0.00 -0.01 -0.01 -0.00 -0.04 -0.03 0.01 -0.02 -0.02 0.01 0.03 0.02 -0.02 0.04 0.03 -0.05 0.04 0.01 0.00 0.03 0.03 -0.03 0.07 0.05 0.03 -0.03 -0.04 0.06 0.00 -0.06 0.01 0.01 -0.04 0.01 -0.05 -0.01 -0.02 -0.01 -0.04 0.05 -0.07 0.02 -0.00 -0.02 -0.06 -0.06 -0.08 0.01 -0.09 -0.08 0.07 -0.09 -0.10 -0.03 -0.01 -0.05 0.04 -0.03 0.01 0.04 -0.10 0.04 0.04 -0.02 -0.00 0.04 0.04 0.06 0.02 -0.04 -0.01 -0.08 0.06 0.08 -0.06 -0.15 -0.13 0.02 -0.08 -0.03 -0.27 0.00 -0.01 -0.05 0.07 0.04 -0.10 0.12 -0.03 -0.06 0.11 -0.03 -0.07 0.05 -0.04 -0.02 0.00 -0.06 0.00 -0.05 -0.08 0.02 0.04 -0.11 0.03 -0.03 -0.01 -0.03 -0.11 -0.02 -0.03 -0.08 -0.05 0.00 -0.12 0.04 -0.08 -0.18 -0.04 -0.02 0.01 0.05 -0.01 -0.00 0.04 0.00 0.01 0.12 0.03 0.03 0.11 0.03 0.01 0.20 0.06 0.04 -0.06 -0.04 0.02 -0.05 -0.03 0.07 -0.19 -0.09 0.02 -0.10 -0.04 -0.03 0.14 0.07 0.04 0.24 0.11 -0.05 0.26 0.03 0.15 0.20 0.19 0.03 0.38 0.16 -0.07 -0.03 0.12 0.02 0.02 0.04 0.01 0.03 0.00 -0.03 0.01 0.09 0.00 0.05 -0.00 -0.01 0.08 0.14 0.02 0.03 -0.03 -0.04 -0.14 0.02 -0.00 -0.22 0.11 -0.03 -0.22 -0.02 -0.08 -0.11 -0.17 -0.01 -0.02 -0.05 -0.12 0.01 0.04 0.14 -0.00 -0.09 0.00 0.01 -0.02 -0.02 -0.04 -0.02 0.02 0.04 0.03 -0.05 -0.14 0.05 -0.04 -0.05 -0.13 -0.13 -0.09 0.08 0.01 0.05 -0.05 0.15 -0.01 0.08 0.13 -0.00 0.08 -0.08 -0.02 0.26 -0.04 0.04 0.01 0.05 -0.12 -0.08 -0.11 0.29 -0.02 -0.01 0.02 -0.06 0.01 0.02 -0.04 0.25 0.03 0.18 0.09 0.04 -0.37 -0.31 -0.00 0.05 0.02 0.01 -0.00 0.02 -0.01 -0.01 0.03 0.01 -0.00 0.03 0.01 0.00 0.03 0.02 -0.01 0.03 0.01 0.01 0.02 -0.01 -0.00 0.03 0.01 0.02 0.02 -0.03 -0.00 0.02 -0.03 -0.02 0.04 0.03 0.01 0.05 0.04 0.01 0.04 0.03 0.03 0.05 0.04 0.00 -0.09 -0.05 -0.01 -0.04 -0.06 -0.05 0.02 -0.07 -0.05 -0.02 0.02 -0.02 0.05 -0.08 -0.05 -0.05 0.06 -0.03 0.03 -0.03 -0.02 0.03 0.10 -0.01 0.02 0.16 -0.08 0.07 0.13 0.04 0.07 0.11 0.05 0.03 0.02 -0.01 0.13 -0.01 -0.09 -0.05 -0.01 0.01 -0.02 -0.01 0.00 0.00 -0.03 0.06 -0.12 -0.15 0.03 0.05 0.10 -0.03 0.10 -0.05 0.22 -0.12 -0.11 -0.04 -0.06 -0.10 -0.08 -0.01 -0.04 -0.02 -0.02 -0.04 -0.00 -0.14 -0.04 0.07 -0.08 -0.00 0.02 -0.04 -0.01 0.00 -0.10 0.10 0.02 0.00 -0.13 0.01 0.21 -0.10 0.00 0.35 0.01 0.09 0.30 -0.23 -0.14 0.14 -0.08 0.04 0.02 -0.09 -0.06 0.01 -0.02 -0.02 0.02 -0.06 -0.05 0.01 0.01 -0.01 0.02 -0.06 -0.05 0.02 -0.02 -0.02 0.02 -0.05 -0.04 0.02 -0.00 -0.01 0.01 -0.02 -0.02 -0.00 0.12 0.06 -0.00 0.14 0.06 0.03 0.26 0.01 -0.05 0.15 0.19 0.00 0.12 0.05 -0.03 0.01 -0.05 0.07 0.03 -0.13 -0.03 0.02 -0.01 -0.03 0.01 -0.03 -0.06 -0.07 0.01 -0.05 -0.01 -0.05 -0.05 -0.00 0.02 0.01 0.08 -0.02 0.00 0.12 -0.08 0.04 0.10 0.02 0.03 0.09 0.01 0.01 0.03 -0.02 0.07 0.02 -0.07 -0.03 0.01 -0.01 -0.04 0.01 0.00 -0.02 -0.03 0.07 -0.17 -0.19 0.03 0.01 0.11 -0.03 0.10 -0.08 0.24 -0.10 -0.03 -0.09 0.08 0.14 -0.27 0.26 -0.10 -0.12 0.30 -0.10 -0.18 -0.01 -0.02 0.07 -0.01 -0.02 0.05 -0.02 -0.06 0.04 0.00 -0.00 0.06 -0.00 -0.03 0.03 0.04 -0.03 -0.01 0.09 0.02 0.02 0.06 -0.03 -0.09 -0.01 -0.06 -0.01 -0.05 0.15 0.07 -0.05 0.07 0.04 -0.04 0.12 0.05 -0.01 0.04 0.02 -0.04 0.14 0.06 -0.02 0.01 0.03 -0.05 0.11 0.08 0.00 -0.09 -0.02 -0.05 0.06 0.07 -0.06 -0.11 -0.05 0.03 -0.10 -0.06 -0.07 -0.29 -0.01 0.17 -0.14 -0.21 0.02 -0.00 -0.02 -0.02 -0.00 -0.00 0.00 -0.02 -0.02 0.01 -0.02 0.00 -0.00 0.00 0.01 0.01 -0.04 0.00 -0.00 0.01 0.01 0.01 -0.01 0.01 -0.00 -0.00 0.00 0.01 -0.02 0.01 0.00 -0.01 0.01 -0.02 -0.01 -0.03 -0.01 0.01 -0.01 -0.02 0.01 0.00 0.02 0.01 -0.02 -0.02 0.01 -0.00 -0.01 -0.01 0.02 -0.04 -0.03 0.02 -0.00 0.01 0.00 0.01 -0.02 0.05 -0.03 0.00 -0.01 0.00 -0.01 -0.05 0.03 -0.03 -0.02 0.03 -0.03 -0.03 -0.02 0.00 -0.00 -0.00 0.01 -0.01 -0.05 -0.02 0.00 0.04 0.06 0.03 0.02 0.00 -0.06 -0.01 -0.01 0.06 -0.41 -0.10 -0.28 -0.14 -0.07 0.63 0.50 0.13 -0.05 0.01 -0.01 0.01 0.01 -0.00 0.01 0.00 -0.01 0.01 -0.00 -0.00 0.01 0.00 -0.02 0.01 0.00 -0.00 0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.00 0.02 0.01 0.01 -0.01 0.00 0.01 -0.01 0.02 0.01 -0.02 0.01 0.02 -0.01 -0.00 0.02 0.01 0.02 -0.02 0.01 -0.03 -0.02 0.04 -0.05 0.03 0.01 0.02 0.03 0.04 -0.09 0.04 0.02 0.01 0.03 0.04 -0.01 0.05 -0.01 -0.01 0.01 0.05 -0.07 0.03 -0.01 -0.01 0.01 -0.09 -0.02 -0.12 -0.06 0.05 -0.06 -0.15 0.07 0.00 0.05 0.07 -0.09 -0.10 0.06 0.00 -0.08 -0.05 0.11 -0.33 -0.28 0.06 -0.04 0.18 -0.04 0.12 -0.13 0.37 0.01 0.08 -0.01 0.00 -0.04 -0.05 0.02 -0.06 -0.04 0.02 -0.06 -0.06 0.00 0.03 -0.11 -0.01 -0.00 -0.01 -0.03 0.09 0.03 -0.01 -0.13 -0.01 -0.01 -0.02 0.05 0.08 -0.01 -0.02 0.30 0.08 0.17 0.17 -0.03 -0.32 -0.17 -0.07 0.04 0.05 -0.03 0.06 0.07 -0.00 0.04 0.02 -0.03 0.06 -0.00 -0.02 0.04 0.02 -0.04 0.08 0.01 -0.00 0.01 0.04 0.02 0.02 -0.00 -0.01 -0.03 0.05 0.03 -0.00 0.14 0.02 0.04 -0.06 -0.02 0.05 -0.09 -0.02 0.02 -0.08 -0.02 0.03 -0.07 -0.04 0.09 0.01 -0.01 0.02 -0.00 0.01 0.03 -0.01 0.01 -0.00 -0.00 -0.01 0.00 -0.00 0.05 -0.01 -0.00 -0.01 0.00 -0.01 -0.00 -0.01 -0.01 -0.00 0.01 -0.04 0.02 0.02 -0.01 -0.02 -0.01 0.03 0.02 0.02 -0.00 0.04 -0.02 -0.02 0.05 -0.06 -0.03 0.01 -0.00 -0.01 0.05 0.01 -0.03 -0.07 0.06 -0.36 -0.47 -0.09 -0.02 0.33 -0.17 0.27 -0.18 0.47 0.02 -0.02 0.03 0.00 0.01 0.05 -0.01 0.02 0.04 -0.01 0.02 0.05 0.05 -0.03 0.05 0.05 -0.03 0.00 0.07 -0.07 -0.02 0.03 0.00 -0.01 0.02 0.02 -0.01 -0.10 0.01 -0.01 -0.14 -0.04 -0.04 -0.14 0.09 0.01 -0.11 -0.02 -0.03 -0.01 -0.02 -0.03 -0.01 -0.02 -0.02 -0.00 -0.02 -0.03 0.00 -0.01 -0.02 0.00 -0.02 -0.04 -0.00 -0.01 -0.01 -0.00 -0.06 -0.03 -0.00 0.04 0.03 -0.00 -0.05 -0.03 -0.03 0.01 0.00 0.01 0.02 -0.00 0.07 0.08 0.00 -0.05 0.04 0.05 0.03 -0.03 -0.04 0.00 -0.02 0.02 -0.03 -0.01 0.04 0.00 0.00 -0.01 0.01 -0.02 0.00 -0.00 0.02 -0.01 0.02 -0.01 0.02 0.01 -0.00 -0.03 -0.01 -0.05 0.01 -0.03 -0.05 0.04 -0.03 -0.07 -0.02 0.02 -0.04 0.03 0.02 -0.01 0.02 -0.03 0.01 0.00 0.00 -0.04 0.03 0.07 0.02 0.00 0.02 -0.03 -0.05 -0.16 -0.33 -0.21 -0.02 0.29 -0.22 0.21 -0.09 0.24 0.02 -0.03 0.03 -0.03 -0.05 0.10 -0.11 0.07 0.04 -0.15 0.07 0.08 -0.03 -0.01 -0.00 -0.03 -0.01 -0.02 -0.04 -0.01 -0.02 -0.04 0.02 -0.02 -0.01 -0.04 -0.04 0.04 -0.04 0.01 0.02 -0.03 -0.02 0.05 -0.09 0.08 0.11 0.02 0.01 0.01 0.02 0.00 0.01 0.06 0.02 0.01 0.05 0.02 0.01 0.05 0.02 0.01 0.04 0.01 0.01 0.03 0.00 -0.01 0.16 0.08 0.03 -0.08 -0.06 -0.01 0.17 0.08 0.04 -0.02 -0.03 0.03 -0.00 -0.01 -0.22 -0.23 -0.05 0.33 -0.10 -0.15 -0.01 0.27 0.13 0.01 0.03 -0.01 0.03 0.01 -0.03 -0.00 0.01 0.00 0.01 -0.01 0.02 -0.00 -0.01 0.00 0.02 -0.03 0.03 -0.01 0.01 0.02 -0.00 -0.05 0.02 -0.00 -0.07 0.05 -0.01 -0.07 -0.00 0.01 -0.06 0.02 0.03 -0.04 0.03 -0.05 -0.01 0.03 0.04 -0.07 0.04 0.11 0.01 0.00 0.05 -0.01 -0.11 -0.13 -0.36 -0.32 -0.03 0.36 -0.30 0.23 -0.06 0.21 0.01 0.05 -0.01 0.04 0.05 -0.07 0.09 -0.04 -0.02 0.09 -0.04 -0.07 -0.03 0.06 -0.06 -0.04 0.06 -0.00 -0.06 0.11 0.03 -0.02 0.01 0.01 -0.02 0.03 0.01 0.06 0.04 0.02 0.10 0.08 0.03 0.10 -0.02 -0.01 0.06 0.06 0.02 -0.02 0.02 0.00 -0.02 -0.02 -0.01 -0.02 0.00 -0.01 -0.01 -0.02 -0.01 -0.02 0.01 -0.01 -0.01 -0.02 -0.00 -0.01 -0.08 -0.04 -0.02 0.03 0.03 -0.01 -0.09 -0.04 -0.05 -0.00 0.01 -0.01 -0.01 -0.01 0.21 0.16 0.05 -0.26 0.08 0.08 0.03 -0.24 -0.14 0.00 0.01 -0.00 0.01 -0.00 -0.01 0.00 -0.00 0.00 0.00 0.00 0.01 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 0.00 -0.00 0.00 0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 -0.00 0.00 0.01 -0.00 -0.00 0.00 0.00 -0.01 -0.01 -0.02 -0.02 -0.00 0.02 -0.02 0.01 -0.00 0.01 -0.00 0.01 -0.00 0.01 0.01 -0.02 0.03 -0.02 -0.01 0.03 -0.02 -0.02 -0.00 0.01 -0.01 -0.00 0.01 0.00 -0.01 0.02 0.01 0.00 -0.00 0.00 -0.00 0.01 0.00 0.01 0.01 0.00 0.01 0.01 0.01 0.01 0.00 -0.01 0.00 0.01 0.00 -0.00 -0.01 -0.01 0.00 -0.04 -0.02 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.02 0.01 -0.00 -0.00 0.00 0.01 -0.09 -0.05 -0.01 0.08 0.05 0.01 -0.09 -0.05 -0.02 0.02 0.01 0.00 -0.02 -0.01 -0.44 -0.37 -0.12 0.52 -0.19 -0.19 -0.06 0.46 0.25 -0.04 -0.02 -0.06 -0.02 -0.08 -0.09 0.02 -0.10 -0.06 -0.00 -0.00 -0.05 0.03 -0.12 -0.06 0.00 0.02 -0.04 0.04 -0.04 -0.06 -0.01 0.01 -0.03 -0.01 0.01 -0.04 -0.02 0.03 -0.03 -0.01 -0.00 -0.01 0.00 -0.02 0.01 -0.01 -0.01 0.02 0.02 -0.03 0.01 0.02 -0.00 0.01 0.00 0.02 -0.05 -0.01 -0.05 -0.11 -0.02 0.10 -0.09 0.02 0.02 0.02 -0.07 -0.04 -0.08 -0.04 -0.09 -0.12 -0.02 -0.10 -0.10 0.07 -0.11 -0.09 -0.05 0.00 0.00 0.06 0.06 0.06 0.13 0.11 0.04 0.07 0.14 0.07 0.04 0.09 0.11 -0.15 0.09 -0.03 -0.13 0.07 -0.00 -0.19 0.26 -0.14 -0.28 -0.06 -0.05 0.02 -0.14 -0.06 0.00 -0.00 0.02 0.01 -0.15 -0.05 -0.02 -0.05 -0.01 0.02 -0.21 -0.08 -0.02 -0.01 0.01 -0.03 0.14 0.10 -0.02 -0.08 -0.04 -0.03 0.22 0.12 -0.02 -0.02 0.02 -0.08 0.06 0.06 -0.28 0.04 -0.07 0.09 0.00 0.10 -0.12 0.26 0.22 -0.01 0.00 0.11 0.02 -0.06 0.08 0.04 -0.05 0.02 -0.03 -0.04 0.19 0.19 -0.02 -0.01 -0.03 -0.06 0.17 -0.02 -0.06 0.20 0.02 -0.07 0.14 0.02 -0.08 0.16 0.07 -0.15 0.15 0.03 -0.01 -0.01 0.01 0.02 -0.05 0.03 0.01 -0.05 -0.01 0.05 -0.05 -0.04 -0.00 -0.03 0.01 -0.05 0.09 0.02 0.09 0.23 0.08 -0.21 0.17 -0.02 -0.06 -0.02 0.00 0.13 0.14 -0.00 -0.06 0.02 0.09 -0.05 0.11 0.05 -0.05 0.08 -0.01 0.02 -0.10 -0.00 0.02 -0.03 -0.03 0.11 0.01 0.03 -0.08 -0.02 -0.00 0.02 -0.02 0.01 0.02 0.01 0.02 0.01 0.02 0.01 0.01 0.00 -0.00 0.04 0.02 -0.02 -0.08 -0.12 -0.05 0.03 -0.05 -0.01 -0.05 -0.12 0.02 -0.00 -0.06 -0.01 -0.08 -0.16 0.00 0.01 -0.01 -0.04 0.12 0.04 0.02 -0.05 -0.03 -0.05 0.16 0.10 -0.12 0.01 -0.06 0.16 0.10 -0.03 0.14 0.09 -0.03 0.30 0.05 0.07 0.17 0.26 -0.09 -0.04 0.01 -0.02 -0.03 -0.01 -0.03 -0.00 -0.03 0.03 -0.04 0.03 0.01 0.10 -0.08 0.02 -0.12 -0.03 -0.09 -0.08 -0.04 0.22 0.10 0.16 -0.02 0.27 0.16 -0.25 0.20 0.32 0.16 -0.08 0.03 -0.06 -0.02 -0.03 0.03 -0.07 -0.02 0.07 0.10 -0.07 0.01 -0.00 -0.01 0.03 -0.05 0.08 -0.11 -0.02 -0.05 -0.26 -0.10 0.25 -0.19 -0.04 0.11 0.01 -0.06 0.00 -0.03 -0.04 -0.04 -0.03 -0.08 -0.03 -0.06 -0.05 -0.04 -0.06 0.00 -0.02 0.03 0.02 -0.03 0.02 0.04 -0.07 -0.00 0.01 0.01 0.01 0.02 -0.02 0.02 -0.03 -0.03 -0.01 -0.03 -0.03 -0.01 -0.04 0.01 -0.02 -0.04 -0.06 -0.02 -0.03 0.01 -0.03 -0.02 0.01 -0.03 -0.01 0.04 -0.03 0.01 0.02 -0.02 -0.02 0.07 -0.03 0.01 0.00 -0.00 -0.01 -0.01 -0.02 0.02 0.00 0.01 -0.02 -0.02 -0.00 0.04 0.04 -0.04 0.17 0.02 -0.04 0.26 -0.00 0.04 0.20 0.01 0.00 0.20 0.05 -0.18 -0.09 -0.04 -0.01 -0.06 -0.03 -0.05 -0.07 -0.03 -0.02 -0.10 -0.09 0.05 -0.09 -0.08 -0.00 -0.06 -0.09 0.07 -0.10 -0.06 -0.00 -0.12 -0.14 0.04 -0.25 -0.11 0.18 -0.13 -0.30 -0.05 0.06 -0.01 0.03 0.03 0.01 -0.01 0.09 -0.01 -0.05 -0.04 0.02 -0.00 0.03 0.00 -0.02 0.05 -0.05 0.04 0.03 0.00 0.10 0.07 -0.12 0.07 0.05 -0.07 -0.01 -0.13 0.02 -0.02 -0.06 -0.03 -0.06 -0.06 -0.03 -0.04 -0.02 -0.03 -0.04 -0.09 -0.03 -0.06 0.01 0.02 0.01 0.05 0.15 0.03 0.03 0.09 0.03 0.04 -0.02 0.03 -0.12 -0.03 -0.03 -0.13 -0.08 -0.02 -0.17 0.11 -0.08 -0.20 -0.11 -0.04 -0.05 0.06 0.04 -0.03 -0.00 -0.01 -0.03 0.12 0.05 -0.00 0.07 0.04 -0.03 0.16 0.06 -0.00 0.00 0.02 -0.02 -0.08 -0.04 0.01 0.00 0.05 -0.02 -0.14 -0.06 0.16 0.05 -0.02 0.14 -0.04 -0.04 0.29 -0.10 0.11 0.11 -0.02 -0.09 0.19 -0.11 -0.21 -0.11 0.01 0.09 -0.05 0.05 0.06 -0.06 0.06 -0.01 -0.10 0.05 0.04 -0.09 0.10 -0.01 -0.09 0.15 0.10 -0.02 0.07 -0.10 -0.10 0.04 0.01 -0.13 0.05 0.05 -0.07 -0.04 0.00 -0.06 0.10 -0.07 0.01 0.01 0.02 0.15 -0.04 -0.05 0.11 -0.11 0.04 -0.05 -0.01 0.08 -0.12 0.13 -0.12 -0.04 -0.00 -0.33 -0.21 0.32 -0.20 -0.15 0.18 -0.02 -0.08 0.08 0.12 -0.06 0.09 -0.06 0.18 0.03 0.15 0.14 0.04 0.13 -0.04 -0.03 -0.04 0.02 -0.03 -0.04 0.01 0.08 -0.00 0.04 -0.11 -0.03 0.04 -0.06 -0.07 -0.06 -0.08 -0.02 -0.09 -0.16 -0.02 -0.10 -0.00 -0.01 -0.10 -0.07 -0.01 -0.01 -0.02 0.00 -0.01 -0.00 0.02 0.01 -0.08 -0.03 0.01 -0.06 -0.02 0.02 -0.11 -0.05 -0.00 -0.02 0.01 -0.02 0.02 0.03 0.01 -0.02 0.03 -0.03 0.04 0.04 0.07 -0.01 0.00 -0.04 0.03 0.04 -0.11 0.08 -0.05 0.01 0.01 0.11 -0.05 0.10 0.11 0.04 0.04 -0.02 -0.01 0.05 0.02 -0.08 0.04 0.03 -0.02 -0.01 -0.06 -0.10 0.09 0.02 -0.01 -0.05 -0.06 -0.07 0.03 -0.03 -0.07 -0.05 -0.04 -0.13 -0.04 0.04 -0.12 -0.10 -0.12 0.01 -0.01 0.01 0.01 0.00 0.00 0.03 -0.00 -0.01 -0.04 0.01 0.01 0.02 0.01 0.00 0.01 -0.01 0.01 0.01 -0.01 0.02 0.01 -0.02 0.01 0.02 -0.02 -0.01 0.05 0.02 -0.02 0.02 0.12 0.02 -0.00 -0.07 -0.04 0.08 -0.07 -0.09 0.07 0.03 0.04 -0.00 0.02 0.01 -0.03 -0.14 -0.02 -0.01 -0.05 -0.00 -0.07 0.13 0.02 0.14 0.15 0.05 0.17 0.25 0.05 0.20 -0.02 0.07 0.22 0.22 0.05 -0.06 -0.02 0.01 -0.06 0.00 0.02 -0.05 -0.13 -0.07 -0.03 -0.14 -0.06 -0.05 -0.14 -0.09 -0.06 -0.06 0.01 -0.08 0.02 0.03 -0.06 -0.02 0.04 -0.09 0.07 0.07 0.13 0.01 -0.02 0.13 0.08 0.04 0.12 0.16 -0.02 0.29 0.01 0.28 0.15 0.31 -0.03 0.04 -0.05 0.01 0.02 0.01 0.07 -0.05 0.02 0.01 0.04 -0.01 -0.16 -0.07 0.07 0.00 -0.07 -0.01 -0.25 -0.04 -0.02 -0.04 0.12 0.11 -0.16 0.22 0.16 -0.39 0.15 0.33 -0.02 0.01 -0.03 0.04 -0.01 -0.02 0.01 -0.14 0.02 0.08 -0.09 0.06 0.00 0.05 0.01 -0.04 0.08 -0.07 0.05 0.03 -0.01 0.14 0.11 -0.15 0.09 0.10 -0.10 0.00 0.15 -0.13 0.05 0.03 0.06 0.05 0.15 0.04 0.15 0.09 0.04 0.14 -0.04 -0.01 -0.03 -0.01 0.00 -0.01 -0.01 0.13 0.02 -0.01 0.05 -0.01 0.03 -0.06 -0.04 -0.07 -0.08 -0.03 -0.08 -0.14 -0.02 -0.10 0.00 -0.03 -0.11 -0.10 -0.02 -0.04 -0.00 0.00 -0.04 -0.00 0.01 -0.03 -0.04 -0.02 -0.02 -0.05 -0.02 -0.03 -0.03 -0.02 -0.04 -0.03 0.01 -0.05 0.00 0.02 -0.04 -0.02 0.03 -0.05 0.02 0.03 0.06 -0.00 -0.01 0.06 0.03 0.01 0.08 0.06 0.01 0.13 0.00 0.11 0.08 0.12 -0.04 0.05 -0.04 0.03 -0.00 -0.08 0.09 0.02 -0.06 0.01 0.06 -0.00 -0.07 -0.03 0.02 0.00 0.06 0.05 -0.05 0.10 -0.02 -0.14 0.00 0.01 -0.05 -0.02 0.01 -0.03 -0.04 0.03 -0.08 0.00 0.01 -0.00 -0.01 0.01 0.01 0.03 0.00 -0.03 0.04 -0.01 0.00 -0.07 0.00 0.05 -0.09 0.07 -0.02 -0.04 0.03 -0.10 -0.12 0.13 -0.05 -0.12 0.10 0.01 0.14 -0.08 0.07 -0.00 -0.09 0.10 0.02 -0.11 0.09 0.05 -0.11 0.06 -0.00 0.00 -0.02 -0.00 0.02 0.00 0.00 -0.00 -0.00 0.01 0.00 0.01 -0.02 0.05 0.01 0.03 0.06 0.01 0.04 0.09 0.02 0.05 0.02 0.01 0.05 0.07 0.01 0.02 -0.09 -0.02 0.02 -0.05 -0.02 -0.06 0.07 0.07 -0.09 0.16 0.11 -0.07 0.02 0.08 -0.08 0.05 0.03 0.01 -0.01 -0.02 -0.15 0.01 -0.14 0.03 -0.05 -0.07 -0.03 -0.00 0.03 0.19 -0.04 -0.03 0.40 -0.23 0.23 0.22 -0.05 -0.16 0.27 -0.07 -0.31 -0.03 -0.04 0.04 -0.05 -0.06 0.07 -0.06 -0.04 -0.02 -0.05 -0.04 -0.06 -0.01 0.05 -0.04 -0.11 -0.02 -0.10 -0.07 -0.06 -0.01 0.01 0.03 -0.08 0.03 0.08 -0.18 0.05 0.10 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.01 -0.00 0.02 -0.02 0.00 0.01 0.00 0.01 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 0.05 -0.04 0.08 -0.05 -0.04 0.04 0.04 -0.10 0.10 0.09 -0.10 0.08 -0.02 -0.02 -0.01 0.01 0.02 -0.00 0.01 -0.04 -0.02 0.02 -0.05 0.01 -0.05 0.12 0.01 0.07 0.14 0.03 0.09 0.19 0.04 0.11 0.03 0.04 0.11 0.19 0.04 -0.03 -0.09 -0.10 -0.04 -0.04 -0.07 0.04 0.07 -0.01 0.05 0.18 0.06 0.06 0.07 -0.08 0.07 0.07 0.03 -0.04 -0.00 -0.01 0.20 -0.09 0.14 -0.05 -0.07 0.01 0.04 0.05 -0.05 -0.17 -0.06 -0.05 -0.21 -0.16 -0.02 -0.33 0.01 -0.35 -0.20 -0.29 0.08 -0.18 0.07 0.08 -0.12 0.03 0.00 -0.03 0.04 0.01 -0.10 0.15 0.11 -0.04 0.05 0.01 -0.09 0.31 0.18 0.05 0.14 -0.08 -0.00 0.09 0.04 0.10 0.05 -0.03 0.08 0.10 0.12 -0.09 0.04 -0.10 0.01 -0.02 -0.00 -0.01 -0.04 0.11 -0.15 -0.01 0.03 0.18 0.05 -0.08 0.20 -0.13 0.02 0.08 -0.10 0.14 0.20 -0.21 0.06 0.29 -0.21 -0.04 -0.22 0.14 0.07 -0.14 0.04 -0.11 -0.03 -0.12 -0.03 0.11 -0.12 -0.11 -0.05 -0.02 0.04 0.02 -0.01 -0.01 0.05 -0.03 -0.02 0.05 -0.15 0.00 0.02 0.01 -0.04 0.00 0.00 0.00 -0.01 -0.03 0.00 -0.01 0.01 0.02 0.00 0.03 0.01 0.03 -0.05 -0.00 0.03 -0.02 -0.00 0.01 -0.00 0.02 -0.01 0.06 0.05 0.02 -0.05 -0.00 -0.00 0.04 0.00 0.03 0.01 -0.01 -0.04 0.02 -0.09 0.04 -0.01 -0.03 -0.01 -0.00 0.02 0.04 -0.02 0.01 0.09 -0.08 0.08 0.05 -0.01 -0.06 0.06 -0.04 -0.05 -0.10 -0.02 -0.05 0.03 0.00 -0.19 0.07 -0.07 -0.14 -0.05 -0.02 0.06 0.11 -0.22 -0.12 -0.04 0.00 0.07 0.02 -0.06 0.02 0.00 0.04 0.06 -0.00 0.08 -0.00 0.05 0.04 0.11 0.03 0.05 0.07 0.00 -0.01 -0.01 -0.09 0.03 -0.00 0.09 -0.02 -0.02 -0.01 -0.07 -0.07 0.05 -0.03 -0.00 0.04 0.01 0.05 0.12 -0.07 -0.01 0.03 -0.01 0.02 -0.23 -0.02 -0.12 -0.03 -0.11 -0.22 0.10 0.34 -0.00 -0.18 0.32 0.23 -0.05 -0.05 0.06 0.02 -0.00 0.00 0.04 -0.00 -0.02 0.01 -0.12 -0.02 -0.02 0.10 -0.07 0.05 0.12 0.02 0.06 0.11 0.03 0.08 0.03 0.06 0.09 0.20 0.05 0.01 -0.06 -0.05 -0.02 -0.07 0.03 -0.05 -0.02 -0.02 -0.08 0.10 0.05 -0.05 -0.12 -0.02 -0.10 0.01 0.07 -0.05 -0.04 0.03 -0.10 -0.07 0.03 -0.03 -0.06 -0.02 0.05 -0.02 0.07 0.02 -0.01 -0.02 0.08 -0.12 0.09 0.03 -0.01 -0.12 0.04 -0.04 -0.11 -0.04 0.03 0.06 -0.07 0.02 0.08 -0.06 0.07 0.05 -0.01 0.05 0.05 -0.12 0.15 0.04 0.03 0.13 0.13 0.04 0.10 -0.14 -0.02 0.08 0.10 -0.15 0.18 0.12 -0.02 0.03 0.07 0.17 0.13 0.29 0.01 -0.02 0.00 -0.28 0.12 -0.06 0.31 -0.05 -0.05 -0.13 -0.26 -0.19 0.06 -0.05 -0.01 0.09 0.07 0.09 0.30 -0.13 -0.04 -0.06 0.06 0.07 -0.02 0.06 0.07 -0.04 0.09 0.05 -0.06 -0.20 -0.03 0.13 -0.19 -0.16 -0.01 0.01 0.01 -0.00 -0.00 -0.00 0.01 0.00 -0.00 0.02 -0.02 0.01 0.02 -0.03 -0.00 -0.02 -0.04 -0.01 -0.02 -0.05 -0.01 -0.03 -0.00 -0.01 -0.03 -0.05 -0.01 -0.03 0.03 0.02 -0.02 0.02 -0.01 0.00 0.01 -0.00 0.01 -0.02 -0.02 0.01 0.03 -0.02 0.01 -0.01 -0.01 -0.02 0.01 -0.01 0.03 -0.00 0.03 -0.03 -0.00 0.00 0.01 0.02 -0.04 -0.01 0.01 -0.00 -0.02 0.04 -0.03 -0.01 0.01 0.03 -0.01 0.02 0.02 0.10 0.11 -0.02 0.05 0.07 0.00 0.04 0.06 -0.00 0.08 0.11 0.07 0.11 0.10 -0.02 0.15 0.08 0.12 0.08 0.13 0.00 0.00 -0.00 0.08 0.01 -0.08 0.21 -0.06 -0.07 -0.01 -0.03 0.00 -0.03 -0.00 0.00 -0.01 0.02 -0.01 0.01 -0.01 -0.01 -0.00 0.03 0.02 -0.01 0.02 -0.01 0.00 0.00 -0.01 0.01 0.02 -0.02 0.01 0.04 -0.03 -0.01 0.10 0.18 -0.00 0.07 0.09 0.03 0.02 0.02 -0.05 0.04 0.02 -0.06 0.11 0.09 -0.13 -0.00 -0.02 -0.01 -0.07 -0.12 -0.01 -0.01 0.15 0.00 0.03 -0.14 0.13 -0.05 -0.16 -0.02 -0.06 -0.11 -0.05 -0.08 -0.04 -0.09 -0.09 -0.29 -0.07 -0.03 -0.12 -0.12 -0.08 -0.08 -0.02 -0.07 -0.06 -0.09 -0.10 0.19 0.04 -0.05 -0.23 -0.17 -0.12 0.04 0.09 -0.13 -0.03 0.03 -0.01 -0.16 0.16 -0.12 -0.08 -0.04 0.06 0.01 0.01 -0.03 0.01 -0.08 0.03 -0.14 0.06 -0.03 0.02 -0.25 -0.01 -0.05 -0.15 0.10 -0.01 0.02 0.08 0.04 0.01 0.04 0.03 0.03 0.12 0.03 -0.01 0.06 0.07 0.02 0.13 0.01 -0.00 0.07 0.05 0.00 0.06 -0.04 0.01 0.08 -0.10 0.07 -0.00 -0.03 -0.05 0.01 -0.06 -0.01 -0.00 0.00 -0.00 0.03 -0.01 -0.02 -0.02 0.03 -0.01 -0.02 0.03 0.06 -0.06 0.04 0.01 -0.04 0.01 -0.04 -0.11 0.07 0.00 -0.07 0.04 0.00 -0.01 -0.20 -0.08 0.11 0.07 0.08 -0.11 -0.11 -0.16 -0.07 -0.10 -0.34 0.04 -0.01 0.37 -0.01 0.02 0.03 0.04 0.29 0.11 -0.13 -0.19 -0.07 0.10 -0.00 -0.31 -0.02 -0.04 -0.03 -0.06 -0.26 0.00 -0.07 -0.01 0.09 -0.03 0.13 0.05 -0.03 -0.03 -0.05 -0.05 -0.02 -0.02 -0.04 -0.02 -0.06 -0.05 0.08 -0.00 -0.04 -0.10 -0.09 -0.06 0.01 0.04 -0.08 -0.02 0.00 0.02 -0.09 0.12 -0.07 -0.04 -0.03 0.02 0.02 -0.02 -0.02 0.02 -0.05 -0.00 -0.04 -0.00 -0.01 0.02 -0.11 -0.01 0.01 -0.08 -0.03 -0.04 0.04 0.00 -0.10 -0.01 0.08 -0.07 -0.04 0.06 0.02 0.09 0.02 -0.12 -0.02 0.09 0.13 0.16 0.17 -0.00 -0.13 0.10 0.03 0.07 0.21 0.01 -0.04 0.18 0.09 0.19 -0.02 -0.02 -0.03 -0.01 -0.00 -0.01 0.02 -0.02 0.02 -0.02 0.01 -0.01 0.01 0.04 0.03 -0.02 0.02 0.01 -0.02 -0.00 -0.01 -0.06 0.03 0.01 -0.01 0.00 -0.00 -0.04 0.00 0.04 -0.03 -0.18 -0.01 -0.04 -0.01 0.03 -0.06 -0.02 0.08 -0.05 -0.02 -0.04 -0.00 -0.00 -0.01 0.03 -0.02 -0.03 0.05 -0.01 0.03 -0.02 0.02 0.02 0.01 0.03 0.01 0.02 0.06 0.01 0.02 0.01 0.00 0.02 0.03 0.00 -0.03 0.07 0.01 -0.05 0.02 0.01 -0.07 0.20 0.06 -0.03 -0.15 -0.16 -0.12 0.50 0.27 -0.06 -0.12 -0.05 -0.09 0.02 0.01 -0.00 -0.02 0.17 -0.10 0.17 0.06 0.01 0.01 -0.02 -0.01 0.04 -0.08 -0.01 0.17 -0.15 -0.01 0.03 0.10 -0.01 0.09 -0.09 0.03 0.03 -0.02 -0.01 0.02 0.02 -0.01 0.01 -0.02 -0.02 0.02 -0.07 0.08 0.07 -0.04 -0.03 -0.03 -0.10 -0.06 -0.00 0.09 -0.11 -0.00 -0.05 -0.23 -0.02 0.13 -0.21 -0.11 -0.21 -0.01 0.06 -0.02 0.01 0.03 0.01 -0.01 0.03 0.03 -0.00 -0.07 0.03 -0.00 -0.03 -0.06 0.04 -0.03 -0.01 0.02 0.00 0.04 0.09 -0.05 -0.01 0.03 -0.02 0.00 0.06 0.01 -0.00 -0.00 0.04 0.01 0.02 -0.02 0.01 0.05 -0.02 -0.02 0.05 0.02 0.03 0.02 0.00 0.02 -0.03 0.00 0.04 -0.06 0.00 -0.04 0.04 -0.01 -0.03 -0.01 -0.02 -0.01 -0.02 -0.05 -0.01 -0.02 0.01 0.00 -0.02 -0.02 -0.00 0.06 -0.16 -0.11 0.04 -0.13 -0.02 0.01 0.20 0.07 0.02 -0.05 -0.12 -0.05 0.54 0.31 0.00 -0.06 -0.07 -0.02 0.08 0.04 -0.01 0.05 -0.00 -0.02 0.31 0.12 0.02 -0.04 0.11 -0.01 0.03 -0.10 0.01 0.07 -0.11 -0.05 0.04 -0.06 -0.01 -0.01 -0.10 -0.03 -0.02 0.04 -0.03 0.02 0.04 -0.03 0.06 -0.00 -0.04 -0.04 0.02 -0.05 0.08 -0.01 -0.07 -0.02 0.01 -0.06 0.00 -0.01 0.07 -0.01 -0.01 0.15 0.02 -0.18 0.17 0.09 0.14 0.03 -0.07 0.04 -0.00 -0.03 0.01 -0.00 -0.02 -0.06 0.01 0.09 -0.03 0.00 0.01 0.07 -0.03 0.02 0.00 -0.00 -0.00 -0.05 -0.09 0.05 0.00 -0.04 0.03 -0.00 -0.03 0.00 0.05 -0.02 0.05 0.04 -0.04 -0.07 -0.00 0.08 -0.07 -0.06 -0.05 -0.02 -0.02 -0.02 -0.00 -0.02 0.03 0.01 -0.04 0.06 -0.01 0.04 -0.04 0.00 0.02 0.00 0.01 0.00 0.02 0.04 0.01 0.02 -0.02 -0.01 0.01 0.01 0.00 0.05 0.11 0.05 0.04 0.01 0.14 0.11 -0.05 -0.12 -0.01 0.16 -0.18 0.11 -0.27 -0.16 -0.04 0.10 -0.09 -0.05 -0.02 -0.05 0.03 -0.00 -0.03 0.01 -0.06 -0.21 0.04 -0.14 0.22 -0.03 0.16 -0.27 -0.04 0.14 -0.27 -0.01 0.16 -0.28 -0.03 0.17 -0.25 -0.06 0.06 0.01 -0.04 0.09 -0.04 -0.06 0.07 -0.03 -0.06 0.01 0.04 -0.02 0.12 -0.05 -0.06 0.04 0.05 -0.07 0.08 -0.02 0.08 -0.01 0.01 0.22 -0.00 -0.21 0.18 0.15 0.19 0.01 -0.16 0.13 -0.02 -0.12 0.05 -0.01 -0.08 -0.23 0.07 0.31 -0.10 0.07 0.02 0.17 -0.02 0.02 -0.00 0.04 -0.04 -0.12 -0.16 0.10 -0.00 -0.03 0.03 -0.02 -0.11 0.10 -0.01 -0.03 0.15 -0.07 0.03 0.03 -0.05 0.08 0.03 -0.08 -0.00 0.02 0.00 0.01 0.01 -0.01 -0.02 -0.02 -0.01 0.01 -0.01 -0.00 0.01 -0.02 0.02 -0.01 -0.02 -0.00 -0.01 -0.02 -0.01 -0.01 0.00 -0.01 -0.01 -0.04 -0.01 0.01 -0.17 -0.10 0.01 -0.11 -0.07 -0.02 0.09 0.07 0.03 -0.06 0.05 -0.03 0.33 0.17 0.03 -0.05 0.01 0.02 0.05 0.06 -0.04 0.04 -0.05 -0.01 0.17 0.17 0.01 0.03 -0.01 0.01 -0.06 0.09 0.01 -0.06 0.09 -0.03 -0.05 0.07 0.00 -0.11 0.09 0.05 0.02 -0.04 0.02 0.03 0.02 0.03 0.03 0.04 0.10 0.09 -0.09 0.10 0.02 0.03 0.08 0.03 -0.14 0.01 0.07 0.14 -0.06 -0.04 -0.07 -0.16 -0.14 0.25 -0.27 -0.16 -0.33 -0.00 -0.02 -0.02 0.02 0.01 0.03 -0.02 0.04 -0.05 -0.01 0.02 0.04 -0.01 -0.05 -0.00 0.01 -0.01 -0.01 0.03 0.01 -0.01 0.02 -0.00 -0.01 -0.02 0.02 0.00 0.10 -0.11 -0.04 0.03 0.04 0.05 0.00 0.03 0.00 0.23 0.01 0.08 -0.12 0.07 -0.02 -0.19 -0.00 0.01 0.35 0.01 -0.23 0.19 -0.09 0.30 -0.16 -0.05 -0.10 0.00 -0.08 -0.01 0.03 -0.03 0.01 0.05 -0.20 0.02 0.05 0.04 0.02 0.01 -0.04 -0.03 0.01 -0.02 -0.03 -0.02 0.01 0.01 -0.01 -0.01 0.01 -0.03 0.05 0.04 -0.01 -0.01 0.01 0.00 0.01 0.01 -0.00 -0.01 0.03 -0.00 0.04 0.03 -0.01 0.01 -0.02 -0.00 -0.01 0.01 0.01 -0.02 0.02 -0.00 -0.01 0.01 0.00 -0.02 0.00 0.05 0.01 -0.03 0.01 0.04 0.02 -0.04 0.04 0.00 -0.00 -0.05 -0.00 -0.04 0.09 -0.01 0.04 -0.11 0.01 -0.05 -0.00 -0.02 -0.05 0.05 0.09 -0.17 0.16 0.07 -0.06 0.02 0.05 0.14 0.09 0.29 -0.16 -0.06 -0.23 0.09 -0.28 0.34 0.13 -0.11 -0.28 0.08 0.33 0.01 -0.06 0.05 0.05 -0.21 -0.03 0.09 -0.16 0.04 0.08 0.14 -0.11 -0.02 0.07 0.02 -0.02 0.04 0.08 0.06 -0.00 0.00 -0.01 0.21 -0.01 0.05 0.01 0.03 -0.06 -0.05 -0.01 0.06 0.12 -0.00 -0.02 -0.04 0.01 0.07 -0.03 -0.00 -0.09 0.00 -0.01 -0.01 0.01 -0.04 0.00 0.01 -0.05 0.03 0.02 0.06 0.02 -0.00 -0.05 -0.03 -0.00 -0.04 -0.01 0.01 0.01 0.01 0.02 -0.00 0.01 0.01 0.06 0.02 0.01 -0.00 -0.00 0.00 0.01 0.01 -0.00 0.02 -0.03 -0.01 0.04 0.04 0.01 -0.00 0.02 -0.00 -0.01 0.01 -0.00 -0.01 0.01 -0.01 -0.00 -0.00 -0.00 -0.03 0.02 0.00 -0.03 0.05 0.04 0.08 -0.00 -0.03 0.06 -0.01 -0.01 -0.05 0.03 -0.02 0.13 -0.02 -0.02 -0.03 0.02 -0.05 0.01 -0.02 0.08 -0.04 -0.00 0.09 0.01 -0.10 0.15 -0.01 0.09 0.08 -0.01 0.01 0.02 0.04 -0.05 0.00 0.01 0.12 -0.04 -0.11 0.00 -0.05 0.03 -0.02 -0.06 0.03 0.02 -0.06 0.04 0.02 -0.04 0.02 0.01 -0.05 0.03 0.02 -0.10 -0.12 -0.02 0.07 0.13 0.01 0.01 0.02 -0.06 -0.45 0.07 -0.35 0.01 -0.05 0.26 -0.02 0.01 -0.22 -0.17 0.13 -0.11 0.31 -0.01 0.03 -0.12 -0.04 0.24 -0.00 -0.03 0.02 0.04 0.15 0.00 0.04 -0.06 -0.09 0.00 -0.15 -0.03 0.01 -0.07 -0.06 0.00 -0.06 -0.03 -0.01 0.03 0.01 0.01 -0.01 0.02 -0.01 0.11 0.05 0.01 -0.02 0.01 0.01 0.02 0.03 -0.02 0.01 -0.02 -0.01 0.07 0.07 0.01 0.01 0.01 -0.00 -0.02 0.03 -0.00 -0.03 0.04 -0.02 -0.02 0.01 -0.00 -0.05 0.04 -0.00 0.01 0.01 -0.00 0.07 -0.02 -0.07 0.08 -0.03 -0.05 -0.09 0.11 -0.08 0.14 -0.04 -0.02 -0.08 0.14 -0.07 0.03 -0.08 0.19 -0.09 0.04 0.34 -0.01 -0.28 0.43 0.04 0.34 0.10 -0.09 -0.05 0.08 0.07 -0.03 -0.02 0.09 0.08 -0.09 -0.12 0.07 -0.10 -0.04 -0.01 -0.09 0.04 0.02 -0.04 0.07 0.00 -0.05 0.04 0.00 -0.13 0.08 0.03 -0.05 0.14 0.01 0.03 0.14 0.01 -0.01 0.01 -0.06 0.27 -0.00 0.00 0.01 0.02 -0.11 -0.03 -0.01 0.07 0.09 -0.02 0.01 -0.08 0.02 0.03 -0.01 0.01 -0.08 0.00 0.00 -0.01 0.00 -0.03 0.00 0.01 -0.02 0.03 0.01 0.06 0.01 -0.01 -0.06 -0.05 -0.01 -0.06 -0.02 0.01 0.01 0.00 0.03 -0.01 0.03 0.02 0.08 0.00 0.02 -0.01 0.01 0.00 0.01 0.03 -0.02 0.02 -0.05 -0.01 0.04 0.08 0.02 -0.00 0.02 -0.00 -0.03 0.04 -0.01 -0.03 0.03 -0.02 -0.02 0.01 -0.01 -0.06 0.07 -0.12 0.03 0.02 -0.08 -0.02 -0.04 0.03 -0.02 0.00 0.05 0.15 -0.07 0.09 -0.13 0.01 -0.08 0.26 -0.14 0.03 0.09 0.12 0.05 -0.10 -0.15 -0.12 -0.18 0.20 -0.15 -0.27 -0.43 0.21 -0.04 0.04 0.09 -0.04 -0.07 -0.09 0.00 0.10 -0.10 -0.01 -0.04 -0.05 -0.02 0.12 -0.10 0.06 0.02 0.00 0.04 -0.09 -0.17 0.12 0.01 -0.16 0.10 0.01 -0.09 -0.03 0.02 -0.13 -0.07 -0.13 0.01 0.00 0.02 0.11 -0.01 0.11 -0.15 0.03 -0.01 0.06 0.07 0.00 -0.06 -0.11 -0.00 -0.01 -0.09 -0.06 0.13 -0.01 0.04 -0.01 0.00 -0.00 -0.05 -0.07 -0.02 -0.07 0.13 -0.01 -0.06 -0.08 -0.02 0.01 0.02 0.02 0.01 0.03 0.01 -0.01 -0.01 0.00 -0.01 0.00 -0.01 -0.01 -0.02 0.01 -0.01 -0.00 -0.00 0.01 -0.01 -0.01 0.00 -0.01 0.02 0.01 -0.01 -0.03 -0.01 0.00 -0.01 0.00 0.01 -0.01 0.01 0.01 -0.01 0.01 0.00 0.00 0.00 0.02 -0.02 -0.00 0.01 -0.02 -0.01 -0.00 -0.00 -0.00 0.00 -0.01 0.04 -0.02 -0.04 0.00 -0.01 -0.01 0.02 -0.04 -0.08 -0.01 -0.01 0.01 0.05 -0.04 -0.02 0.22 -0.08 -0.19 0.05 0.20 0.10 -0.09 -0.21 0.10 -0.11 0.11 0.05 0.16 0.02 -0.05 0.12 -0.09 0.07 -0.03 0.08 -0.19 0.01 -0.02 0.01 -0.13 0.01 0.17 0.14 -0.11 0.02 0.11 -0.09 0.02 -0.00 -0.08 -0.04 -0.01 -0.01 0.03 -0.03 0.02 -0.00 0.54 -0.04 0.25 -0.13 0.07 0.05 0.00 0.16 0.00 -0.05 -0.11 -0.06 0.02 -0.13 -0.02 0.15 -0.04 0.05 -0.02 -0.04 -0.01 -0.07 -0.12 -0.03 -0.09 0.13 -0.01 -0.08 -0.14 -0.03 -0.00 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 -0.01 0.01 -0.00 0.00 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.01 0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.01 0.01 0.05 0.01 -0.01 0.04 -0.00 0.02 0.01 -0.01 -0.02 -0.03 -0.07 0.03 -0.01 0.02 -0.03 0.03 -0.14 0.05 -0.01 -0.09 -0.04 -0.03 0.03 0.05 -0.08 0.10 0.00 0.04 -0.03 0.09 -0.00 0.11 -0.06 0.03 -0.04 -0.01 -0.05 -0.01 0.01 -0.04 0.03 -0.02 0.02 -0.03 0.06 0.01 -0.00 -0.01 0.06 -0.01 -0.06 -0.03 0.03 -0.01 -0.02 0.02 -0.01 0.02 0.02 -0.02 0.04 -0.03 0.08 -0.05 0.02 -0.01 0.84 -0.06 0.33 0.03 0.04 0.05 -0.02 0.08 -0.01 -0.03 -0.02 -0.04 0.02 -0.04 0.01 0.04 -0.03 0.02 -0.01 -0.04 -0.00 -0.03 -0.06 -0.01 -0.03 0.02 -0.01 -0.03 -0.07 -0.01 -0.00 0.01 -0.02 -0.01 0.01 0.01 -0.00 0.01 -0.02 0.01 -0.00 0.00 0.00 0.01 -0.03 0.00 -0.01 0.01 0.01 -0.01 0.01 -0.02 0.00 -0.01 0.00 -0.02 0.02 0.01 -0.00 0.00 -0.00 -0.00 0.01 -0.02 -0.00 -0.00 -0.02 -0.00 -0.00 -0.01 -0.02 0.03 -0.04 -0.05 -0.01 -0.04 0.04 -0.00 0.02 0.04 0.00 0.03 0.03 -0.02 0.06 0.03 0.00 0.01 0.07 -0.03 0.01 0.05 0.05 0.01 -0.01 -0.01 0.01 -0.05 0.04 -0.05 -0.00 -0.07 -0.00 -0.04 0.02 -0.01 0.01 0.01 0.02 0.00 -0.00 0.01 -0.01 0.01 -0.01 0.01 -0.02 -0.00 -0.00 0.00 -0.02 0.00 0.02 0.01 -0.01 0.00 0.01 -0.01 0.00 -0.04 -0.08 -0.02 -0.03 0.03 0.03 -0.04 0.01 -0.02 0.89 -0.07 0.28 -0.01 -0.08 -0.01 0.03 -0.09 -0.03 -0.03 0.06 0.05 0.02 0.06 -0.03 -0.07 0.03 0.00 0.01 0.04 0.01 0.04 0.09 0.02 0.05 -0.05 0.00 0.04 0.08 0.01 0.04 0.01 -0.01 0.04 0.01 -0.00 -0.01 -0.00 0.00 -0.02 0.00 -0.00 -0.02 -0.01 0.03 -0.03 -0.01 0.02 0.04 -0.00 0.01 -0.02 -0.02 0.03 0.05 0.01 -0.02 -0.01 0.01 -0.01 -0.00 0.00 -0.01 -0.00 0.00 -0.01 -0.00 0.00 -0.01 -0.00 0.01 -0.02 -0.03 0.04 -0.03 -0.01 0.06 -0.02 -0.05 -0.01 0.13 -0.07 -0.06 0.01 -0.17 0.00 0.14 -0.05 -0.06 0.02 -0.01 -0.05 -0.05 -0.01 -0.01 -0.01 0.01 0.04 -0.13 0.08 0.03 0.09 0.01 -0.01 0.00 0.01 0.00 -0.01 -0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.00 0.00 0.00 0.00 -0.01 -0.01 0.01 -0.00 -0.01 0.01 0.00 -0.08 0.07 -0.05 0.00 0.10 -0.04 0.02 0.06 -0.03 0.10 0.05 0.02 0.02 0.01 0.01 -0.01 0.02 0.00 -0.00 -0.01 -0.01 0.00 -0.01 0.01 0.00 -0.01 -0.00 -0.00 -0.01 -0.00 -0.01 -0.02 -0.00 -0.01 -0.00 -0.00 -0.01 -0.02 -0.00 0.10 -0.11 0.16 0.18 -0.06 -0.05 0.00 -0.12 0.20 -0.16 -0.01 -0.02 -0.05 -0.19 0.35 -0.08 0.07 -0.13 -0.00 0.11 -0.14 0.13 -0.06 0.13 0.08 0.25 -0.29 -0.06 0.03 -0.04 0.03 0.03 -0.05 0.19 -0.01 0.09 0.18 -0.02 0.07 0.10 0.20 -0.33 -0.03 0.04 0.09 0.01 0.04 0.06 0.10 0.08 -0.08 -0.13 -0.07 -0.01 0.10 0.20 -0.11 -0.19 -0.01 -0.04 -0.06 -0.08 -0.00 -0.04 -0.01 -0.08 -0.04 0.08 -0.24 0.05 0.05 0.03 0.01 -0.01 0.02 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.02 0.14 0.11 -0.03 -0.01 -0.01 -0.01 -0.07 0.00 -0.37 -0.02 -0.26 0.03 0.02 -0.03 -0.02 0.03 0.02 0.02 -0.02 -0.01 -0.02 -0.01 0.02 0.02 -0.01 -0.01 -0.00 -0.02 -0.00 -0.01 -0.03 -0.01 -0.02 0.01 0.00 -0.01 -0.02 -0.00 0.19 0.08 -0.08 0.20 0.08 0.03 -0.02 0.03 -0.06 -0.06 0.01 -0.04 -0.07 -0.05 0.07 -0.12 -0.11 0.16 0.26 -0.05 0.12 -0.19 -0.10 0.14 0.33 0.00 -0.03 -0.01 0.03 -0.07 -0.04 0.04 -0.08 -0.08 0.04 -0.11 -0.08 0.05 -0.11 -0.06 0.01 -0.03 -0.06 0.18 0.09 -0.07 -0.08 -0.06 0.04 -0.15 -0.08 -0.13 0.09 0.00 0.04 -0.25 -0.06 -0.25 0.25 -0.04 0.03 -0.04 -0.01 -0.01 -0.03 -0.14 0.02 -0.04 -0.17 0.00 0.03 -0.10 0.04 -0.10 0.07 0.00 0.01 0.00 0.02 0.01 0.00 0.01 -0.02 0.01 -0.02 0.02 -0.03 -0.02 0.01 0.01 -0.04 0.01 0.03 -0.00 -0.00 0.01 -0.01 -0.00 0.01 -0.05 0.40 0.13 -0.19 -0.25 -0.21 -0.01 0.01 0.03 0.27 -0.03 0.21 0.28 0.08 0.07 -0.03 -0.00 -0.00 0.01 0.05 -0.00 0.01 0.03 0.03 -0.09 -0.03 -0.03 -0.00 -0.08 -0.01 0.02 -0.03 -0.00 0.02 -0.14 -0.01 0.02 -0.03 0.00 -0.03 -0.01 0.01 -0.05 0.10 0.06 0.00 0.01 0.01 0.01 -0.00 0.01 0.01 0.01 -0.01 0.02 0.00 -0.03 -0.04 -0.03 -0.04 0.02 0.02 -0.01 -0.05 -0.00 0.00 0.00 -0.01 0.00 0.01 -0.01 0.02 0.01 -0.02 0.03 0.01 -0.01 0.01 0.01 -0.01 0.01 0.02 -0.03 -0.03 0.00 0.03 0.01 -0.02 0.03 -0.02 0.03 -0.02 -0.00 0.04 0.11 -0.04 0.07 -0.08 0.01 -0.03 0.03 0.01 0.00 0.00 0.04 0.01 0.01 0.02 0.02 0.00 0.05 -0.01 0.02 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 0.00 -0.00 -0.00 0.01 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.02 -0.08 -0.04 0.04 0.10 0.06 0.01 -0.00 -0.01 -0.04 0.01 -0.06 -0.05 -0.01 -0.01 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.02 0.00 0.00 0.00 0.01 0.00 -0.00 0.01 -0.00 -0.00 0.03 0.00 -0.00 0.01 -0.00 0.04 -0.18 -0.10 -0.03 0.40 0.22 -0.02 0.00 0.04 -0.04 0.04 0.04 -0.04 0.07 0.10 -0.00 -0.07 -0.09 0.01 -0.14 -0.13 0.03 0.02 0.03 -0.08 0.68 0.28 0.00 -0.05 -0.01 0.00 -0.01 0.04 0.06 -0.12 0.15 0.03 -0.02 -0.06 0.03 -0.04 -0.05 0.01 0.02 -0.08 -0.06 -0.03 -0.03 -0.08 -0.06 0.06 0.03 0.01 -0.00 -0.13 -0.13 0.09 0.08 -0.06 0.01 -0.00 0.02 -0.01 0.01 0.00 0.05 0.03 -0.03 0.07 0.01 -0.00 0.04 -0.01 -0.01 0.00 0.01 0.00 -0.01 0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.00 0.00 0.02 -0.01 -0.08 -0.05 -0.01 -0.04 0.02 0.02 0.03 0.00 0.01 0.10 0.03 0.01 0.03 0.00 0.00 -0.00 -0.00 0.01 -0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.02 -0.00 0.00 -0.01 -0.00 -0.01 -0.03 0.10 -0.03 -0.07 0.04 0.16 -0.03 0.05 0.07 0.07 -0.02 0.17 -0.07 0.02 0.00 -0.07 0.06 0.01 -0.09 0.07 -0.09 0.00 -0.03 -0.11 0.57 0.51 -0.01 0.04 -0.08 -0.00 0.09 -0.14 -0.07 0.06 -0.18 -0.08 0.12 -0.25 -0.03 -0.00 -0.04 -0.01 -0.00 0.06 0.04 0.01 0.01 0.04 0.02 -0.01 -0.02 -0.00 0.00 0.03 0.03 -0.01 -0.07 0.06 -0.01 0.01 -0.03 -0.00 -0.01 -0.00 -0.04 -0.02 0.01 -0.04 -0.01 -0.00 -0.05 0.01 0.00 0.00 -0.01 -0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.02 0.03 0.06 0.03 -0.02 0.00 -0.02 -0.00 -0.02 0.01 -0.00 -0.03 -0.01 -0.00 -0.02 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 0.10 0.01 0.02 -0.08 -0.08 -0.06 -0.01 -0.05 -0.03 0.03 0.04 -0.04 -0.09 -0.10 0.01 -0.01 -0.03 0.01 -0.03 -0.05 0.03 -0.01 0.00 -0.10 0.83 0.43 0.00 -0.01 0.03 -0.00 -0.02 0.05 0.02 -0.06 0.09 0.01 -0.02 0.02 0.01 -0.02 0.02 -0.05 -0.01 0.22 0.20 0.11 0.06 0.09 0.04 0.14 -0.08 -0.01 0.02 0.07 0.19 0.12 -0.26 0.28 -0.02 0.10 -0.14 -0.01 -0.01 -0.02 -0.17 -0.11 0.02 -0.10 -0.03 -0.09 -0.22 0.06 0.05 -0.02 -0.05 -0.01 0.04 -0.01 -0.03 -0.01 0.02 0.01 0.03 -0.00 0.03 -0.03 -0.00 0.00 0.00 -0.04 0.01 0.04 0.02 -0.02 0.01 0.02 -0.02 0.00 -0.16 0.11 0.19 0.22 0.15 0.06 -0.03 0.06 -0.15 0.11 0.07 -0.18 -0.08 -0.02 -0.08 0.00 -0.02 0.00 0.00 -0.01 0.01 -0.00 0.00 -0.01 0.01 0.01 0.00 0.00 0.02 0.00 -0.00 0.01 0.00 -0.00 0.03 0.00 -0.00 0.02 0.00 0.01 -0.10 0.02 -0.11 0.00 0.07 0.17 -0.01 0.07 0.10 0.03 -0.01 0.18 0.04 0.07 -0.01 -0.03 0.00 -0.16 -0.03 0.02 -0.06 0.02 -0.04 -0.18 -0.21 -0.00 -0.01 0.02 -0.05 0.02 0.02 -0.03 -0.04 0.02 -0.07 -0.04 0.04 -0.09 -0.01 -0.05 0.07 -0.11 0.09 -0.10 -0.04 0.16 0.05 0.03 -0.01 0.32 -0.02 -0.00 -0.04 0.01 0.18 0.29 -0.02 0.02 -0.03 0.16 -0.20 -0.04 -0.07 0.05 0.02 0.01 0.01 -0.03 -0.15 0.21 0.03 -0.11 -0.12 0.10 0.07 0.04 -0.08 0.03 0.07 0.02 -0.03 -0.03 -0.06 0.01 -0.06 0.08 0.03 -0.01 -0.01 0.12 -0.02 -0.09 -0.02 0.03 -0.02 -0.04 0.03 -0.01 -0.18 0.07 -0.14 -0.04 0.19 -0.03 0.03 0.04 -0.02 0.03 0.05 -0.09 -0.04 0.01 -0.00 0.02 -0.01 0.00 0.01 -0.01 0.02 0.01 0.00 -0.01 -0.04 -0.00 -0.01 -0.00 -0.01 -0.00 0.01 0.01 0.00 0.02 -0.05 -0.00 0.01 0.01 0.00 -0.09 -0.05 -0.04 -0.07 0.05 -0.02 -0.22 0.02 -0.10 -0.06 -0.00 0.01 -0.23 0.06 -0.09 0.13 -0.03 0.04 0.13 -0.03 0.10 0.08 0.05 -0.05 0.07 -0.18 0.23 0.01 -0.02 0.03 -0.03 0.05 -0.10 -0.03 0.04 -0.09 -0.03 0.06 -0.13 -0.02 0.06 -0.13 -0.02 0.01 -0.03 -0.04 0.00 -0.03 -0.09 -0.05 0.10 0.02 0.00 0.02 -0.13 -0.08 0.12 -0.00 0.02 0.01 0.01 -0.01 -0.04 0.14 -0.07 -0.02 0.02 -0.10 0.19 0.17 -0.38 -0.16 0.18 0.14 -0.15 -0.07 -0.09 0.13 -0.05 -0.12 -0.04 0.04 0.05 0.11 -0.03 0.15 -0.18 -0.08 0.05 0.03 -0.29 0.07 0.21 0.01 -0.05 0.06 0.05 -0.06 0.04 -0.04 0.03 -0.04 -0.02 0.06 -0.05 0.02 0.03 -0.01 0.00 0.03 0.05 0.02 0.00 0.01 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.02 -0.00 -0.00 -0.00 -0.01 -0.00 0.00 -0.01 0.00 0.00 -0.03 -0.00 0.00 -0.01 -0.00 -0.07 -0.04 -0.00 -0.00 0.03 -0.02 -0.19 -0.01 -0.05 -0.09 -0.00 0.01 -0.21 0.02 -0.02 0.10 -0.03 0.02 0.17 -0.01 0.08 0.07 0.03 -0.02 0.14 -0.13 0.15 0.01 -0.01 0.01 -0.03 0.06 -0.10 0.00 0.03 -0.06 -0.00 0.05 -0.11 -0.01 0.09 -0.20 -0.01 0.01 -0.02 -0.02 0.02 0.00 0.00 0.00 0.03 -0.00 -0.01 -0.00 0.02 0.04 0.02 0.01 -0.01 -0.00 0.02 -0.02 -0.00 0.01 -0.00 0.00 0.00 -0.01 0.02 0.01 -0.02 -0.01 0.01 0.00 -0.01 0.00 -0.01 0.01 -0.00 -0.01 -0.00 0.00 0.00 0.01 -0.01 0.02 -0.02 -0.01 0.01 0.00 -0.03 0.01 0.02 -0.00 -0.00 0.01 0.00 -0.00 0.00 -0.02 0.01 -0.02 -0.02 0.03 -0.01 0.01 0.00 0.00 -0.00 0.01 -0.02 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 0.00 -0.00 0.00 0.01 -0.06 -0.03 -0.01 0.02 0.01 -0.01 0.11 0.06 0.04 -0.22 -0.13 0.00 0.02 0.00 -0.07 0.51 0.29 0.01 -0.16 -0.08 0.02 -0.14 -0.08 -0.05 0.34 0.20 0.00 -0.00 -0.00 0.01 -0.05 -0.03 -0.06 0.28 -0.28 0.02 -0.07 0.38 -0.02 0.13 0.08 -0.06 0.06 -0.14 -0.11 0.10 0.04 0.10 0.07 0.03 -0.00 -0.03 -0.03 0.14 0.21 -0.01 0.09 -0.18 -0.00 0.05 -0.11 0.01 -0.06 0.04 0.07 -0.04 0.05 0.03 -0.10 0.13 0.09 -0.09 -0.03 0.03 0.23 -0.14 0.03 -0.04 -0.05 -0.02 -0.01 0.02 0.05 -0.09 0.21 -0.23 -0.15 0.09 0.04 -0.42 0.14 0.28 -0.07 -0.02 0.08 -0.01 -0.02 0.06 -0.04 0.01 -0.15 -0.15 0.03 -0.02 0.01 -0.04 0.06 -0.04 -0.02 -0.10 -0.02 0.02 0.02 0.02 0.00 0.00 0.01 -0.01 0.02 0.01 -0.00 -0.01 -0.04 -0.00 -0.01 -0.00 -0.02 -0.00 0.01 0.00 0.00 0.01 -0.06 -0.00 0.01 -0.00 0.00 0.05 0.06 -0.03 0.00 -0.01 -0.01 0.11 0.01 -0.02 0.07 0.03 0.00 0.12 0.02 -0.06 -0.07 -0.04 -0.04 -0.12 0.03 -0.06 -0.06 -0.01 0.03 -0.08 0.07 -0.14 -0.00 -0.00 0.01 0.03 -0.05 0.10 -0.01 -0.06 0.08 -0.02 -0.03 0.04 0.00 -0.12 0.19 0.07 -0.08 0.14 0.14 -0.09 -0.02 -0.05 -0.06 -0.03 -0.04 0.05 0.04 -0.09 -0.18 -0.00 -0.06 0.15 0.06 -0.03 0.11 0.00 -0.10 0.05 -0.03 -0.07 0.10 -0.14 -0.14 0.24 0.03 -0.12 -0.04 0.08 0.15 -0.05 -0.02 -0.01 0.01 0.00 -0.01 0.00 -0.01 -0.04 0.08 -0.08 -0.06 0.04 0.01 -0.15 0.05 0.10 -0.04 -0.00 0.03 -0.01 0.00 0.02 0.05 -0.00 0.15 0.17 -0.05 0.06 -0.02 0.04 -0.06 0.10 0.02 0.08 0.06 -0.05 -0.02 -0.14 -0.10 -0.04 -0.03 0.04 -0.09 -0.05 0.00 0.09 0.29 0.03 0.06 0.03 0.16 0.02 -0.07 0.02 -0.02 -0.10 0.47 0.03 -0.07 0.04 -0.00 -0.04 -0.05 0.03 -0.01 -0.00 0.01 -0.08 -0.02 0.02 -0.05 -0.02 0.00 -0.09 -0.02 0.06 0.06 0.02 0.03 0.07 -0.02 0.05 0.05 0.02 -0.03 0.04 -0.07 0.12 0.00 0.00 -0.01 -0.02 0.04 -0.08 0.01 0.04 -0.06 0.02 0.02 -0.04 -0.00 0.09 -0.16 -0.10 0.05 -0.16 -0.22 0.14 0.00 0.07 0.05 0.07 0.01 -0.03 -0.04 0.14 0.15 0.04 0.02 -0.07 -0.05 0.08 -0.12 0.01 0.09 -0.04 0.03 0.06 -0.11 0.17 0.10 -0.22 -0.06 0.10 0.02 -0.06 -0.11 0.04 0.02 0.01 -0.01 -0.00 0.01 0.00 0.01 0.03 -0.05 0.05 0.04 -0.02 -0.01 0.10 -0.04 -0.06 0.03 -0.00 -0.02 0.01 -0.00 -0.02 -0.06 0.05 -0.14 -0.30 0.06 -0.13 0.03 -0.03 0.07 0.05 0.00 -0.13 0.12 -0.04 0.02 -0.14 -0.10 -0.04 -0.03 0.04 -0.09 -0.05 0.00 0.10 0.27 0.03 0.05 0.03 0.15 0.02 -0.06 0.01 -0.02 -0.09 0.45 0.03 -0.07 0.03 -0.00 0.03 0.05 -0.03 -0.00 0.00 -0.02 0.06 0.02 -0.03 0.05 0.02 -0.00 0.07 0.02 -0.07 -0.04 -0.01 -0.02 -0.07 0.02 -0.04 -0.04 -0.01 0.02 -0.05 0.06 -0.08 -0.00 -0.01 0.01 0.02 -0.03 0.07 -0.02 -0.03 0.04 -0.02 -0.02 0.03 -0.00 -0.09 0.15 0.10 0.29 -0.04 0.10 -0.07 0.03 -0.03 -0.08 -0.06 -0.02 0.02 0.02 -0.13 0.02 -0.07 0.04 -0.21 -0.03 -0.08 -0.10 -0.06 -0.00 -0.04 0.00 0.03 0.01 -0.11 0.11 -0.03 0.11 0.04 0.01 -0.02 -0.02 0.00 0.01 -0.00 -0.01 -0.00 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.01 0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.13 0.40 -0.01 0.07 -0.15 0.06 -0.02 -0.01 0.03 0.12 -0.03 0.12 -0.32 0.48 0.13 0.04 -0.30 -0.06 0.03 -0.00 0.08 0.06 0.02 -0.07 0.07 0.05 0.02 0.03 0.04 0.01 0.01 0.06 -0.01 -0.01 0.14 0.01 0.00 0.06 0.02 -0.00 0.01 0.00 0.02 0.00 -0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 0.01 -0.02 -0.02 -0.01 -0.00 -0.00 0.02 0.01 -0.01 -0.01 -0.01 0.01 0.04 0.03 -0.04 0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 -0.00 0.01 -0.01 -0.02 0.13 -0.03 0.04 -0.00 -0.09 -0.02 -0.06 0.09 0.09 -0.03 -0.17 0.03 -0.07 -0.15 0.16 -0.21 -0.08 -0.15 -0.05 0.14 0.09 0.11 0.05 -0.17 0.68 -0.23 -0.08 -0.32 -0.05 -0.03 0.01 0.02 0.00 -0.01 0.01 0.01 0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.10 -0.01 0.20 -0.02 0.10 -0.07 0.00 0.02 -0.05 0.03 0.03 -0.08 0.02 0.01 -0.02 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.01 0.03 0.01 -0.00 0.02 0.00 0.01 0.01 0.00 -0.00 0.03 -0.01 -0.03 -0.02 -0.00 -0.01 0.03 0.01 -0.01 -0.01 -0.01 0.02 0.05 0.04 -0.07 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.01 0.02 0.00 -0.01 -0.03 0.10 -0.11 -0.03 -0.16 -0.09 0.22 -0.03 0.04 0.03 -0.20 -0.08 0.23 -0.05 0.12 0.05 0.01 0.04 -0.02 -0.01 0.00 -0.03 -0.00 -0.00 -0.04 0.01 0.00 -0.01 0.01 -0.01 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.13 0.04 -0.09 0.18 0.01 0.06 0.00 0.04 -0.02 -0.04 0.01 0.23 0.01 -0.02 0.00 -0.00 0.01 0.00 -0.00 0.01 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 -0.00 0.00 -0.00 -0.03 -0.01 -0.05 0.08 0.07 -0.09 0.04 0.07 -0.11 0.11 0.03 -0.03 0.10 0.14 -0.30 -0.10 -0.02 0.00 0.06 0.07 -0.10 -0.10 -0.05 0.07 0.16 0.17 -0.30 0.00 -0.02 0.04 0.07 -0.03 0.07 -0.14 0.00 -0.09 -0.14 0.05 -0.06 -0.02 -0.23 0.41 -0.02 0.01 -0.05 0.06 -0.03 0.01 0.00 0.02 -0.01 -0.02 0.03 0.01 -0.03 0.08 -0.02 -0.06 0.06 -0.02 -0.02 -0.01 -0.01 0.02 0.01 0.00 0.01 -0.03 0.09 -0.01 -0.03 -0.04 0.00 -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.12 0.03 -0.10 0.07 -0.04 0.06 -0.01 -0.01 0.02 -0.02 -0.02 0.05 0.01 -0.02 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.03 0.01 -0.00 -0.00 0.01 0.02 -0.14 -0.07 -0.00 0.00 -0.00 -0.11 0.75 0.48 -0.00 0.05 0.03 -0.01 -0.01 -0.00 0.00 -0.01 -0.01 -0.01 0.00 0.01 -0.00 0.00 -0.00 -0.01 0.03 0.02 0.02 -0.15 0.14 0.01 0.03 -0.19 0.01 -0.08 -0.06 -0.05 0.04 -0.16 0.18 -0.06 0.05 0.02 0.04 -0.04 -0.06 0.09 0.03 -0.05 0.26 -0.07 -0.18 0.16 -0.04 -0.05 -0.02 -0.02 0.05 0.04 0.01 0.03 -0.08 0.23 -0.05 -0.08 -0.14 0.02 -0.04 -0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 -0.37 0.10 -0.33 0.24 -0.06 0.25 -0.03 -0.03 0.06 -0.04 -0.04 0.11 0.01 -0.05 0.00 -0.01 0.01 0.00 -0.00 0.01 -0.01 -0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 0.01 0.00 -0.00 0.01 0.00 0.00 0.01 0.00 -0.00 0.01 -0.00 0.02 -0.01 -0.01 -0.01 -0.02 0.02 -0.00 0.06 0.06 -0.02 -0.01 0.00 0.05 -0.42 -0.17 0.02 -0.02 -0.02 -0.01 -0.01 0.02 0.01 0.01 -0.01 -0.03 -0.03 0.05 0.00 0.00 -0.01 -0.02 -0.02 -0.02 0.04 0.07 -0.02 0.05 -0.05 0.14 0.00 0.11 -0.09 0.03 -0.01 -0.05 0.00 0.16 0.09 -0.03 -0.15 -0.14 -0.03 0.05 0.03 0.04 -0.43 -0.10 -0.00 0.10 0.08 0.04 -0.02 0.02 -0.03 -0.00 -0.02 0.01 -0.00 -0.08 0.04 0.00 0.04 0.02 -0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 -0.00 -0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 -0.04 -0.03 -0.09 0.23 0.48 0.42 -0.01 -0.01 0.03 0.09 0.03 -0.32 -0.01 -0.02 -0.00 -0.00 0.01 -0.00 0.01 -0.01 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 0.01 0.00 -0.05 0.00 0.04 0.02 0.00 -0.01 -0.02 -0.01 0.01 0.01 -0.01 0.01 -0.01 0.04 -0.00 -0.01 0.00 -0.00 0.02 0.01 -0.02 -0.01 -0.01 0.01 0.04 0.04 -0.06 -0.00 -0.00 0.00 0.05 0.02 -0.02 -0.10 0.02 -0.11 -0.10 0.07 -0.12 -0.01 -0.10 0.17 -0.01 0.01 0.00 0.01 -0.02 -0.01 0.06 0.05 -0.01 0.00 -0.02 -0.01 0.00 0.12 -0.02 -0.02 -0.05 -0.05 -0.03 0.01 -0.01 0.02 0.01 0.01 -0.00 -0.00 0.06 -0.02 -0.01 -0.03 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 -0.07 -0.16 -0.10 -0.00 -0.01 0.00 -0.01 -0.01 0.04 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.02 0.03 0.02 -0.01 0.02 -0.11 -0.03 0.03 0.00 -0.02 0.05 -0.15 -0.12 0.12 0.00 -0.00 -0.00 -0.04 0.01 -0.03 0.02 0.01 -0.01 -0.03 0.02 -0.04 -0.00 0.00 -0.00 0.14 0.04 -0.04 -0.30 0.09 -0.38 -0.31 0.20 -0.28 -0.02 -0.29 0.53 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.01 -0.00 0.00 0.01 0.01 0.00 -0.00 0.00 0.00 -0.01 -0.00 0.00 -0.01 -0.01 0.00 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.01 0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.04 -0.03 -0.02 0.11 0.06 -0.04 0.25 0.16 0.00 -0.02 -0.01 -0.00 -0.00 0.00 -0.00 0.01 0.00 -0.00 0.02 0.01 0.00 -0.00 -0.00 0.02 -0.13 -0.07 -0.00 0.44 -0.43 -0.04 -0.14 0.61 -0.04 0.27 0.15 0.04 0.02 0.05 0.02 -0.02 0.02 0.01 -0.01 0.03 -0.11 -0.02 -0.12 0.06 -0.09 0.04 -0.03 -0.12 -0.08 0.02 0.05 -0.00 -0.14 0.25 0.16 -0.10 0.19 0.15 0.03 -0.10 0.14 0.17 -0.18 -0.12 -0.05 -0.03 0.06 0.05 0.12 0.02 -0.03 -0.03 -0.12 0.26 -0.12 -0.12 -0.27 0.08 0.18 -0.01 0.05 -0.05 -0.16 0.12 0.11 -0.27 0.08 0.11 0.23 -0.14 0.12 -0.06 -0.13 -0.10 0.01 0.02 -0.02 0.01 0.01 -0.05 -0.01 -0.04 -0.01 -0.12 0.03 -0.03 0.09 -0.06 0.20 0.11 0.01 -0.14 0.01 -0.03 0.00 0.00 0.04 0.00 -0.01 0.03 -0.01 -0.02 0.10 0.01 -0.02 0.04 0.01 0.01 0.00 -0.00 -0.01 0.01 -0.01 0.01 0.00 -0.02 0.00 0.02 -0.00 -0.01 0.04 0.03 0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.01 0.02 -0.00 -0.00 0.00 -0.01 -0.02 -0.00 0.02 0.03 -0.01 0.02 -0.03 0.08 -0.00 0.05 -0.02 0.02 0.00 -0.03 -0.03 -0.01 -0.01 0.01 0.02 0.01 0.02 -0.00 0.08 -0.02 0.02 0.02 -0.06 0.04 0.02 -0.02 -0.00 -0.01 0.12 -0.13 -0.10 0.05 -0.13 0.03 -0.02 -0.01 -0.17 -0.10 0.10 0.07 0.03 -0.01 -0.01 -0.01 -0.02 -0.00 0.01 0.00 0.02 -0.20 0.10 0.09 0.20 -0.06 -0.14 -0.03 -0.03 0.06 0.11 -0.09 -0.07 0.20 -0.06 -0.08 -0.12 -0.02 -0.11 -0.07 -0.08 -0.04 0.01 0.01 0.02 -0.01 0.00 -0.09 0.03 -0.06 -0.01 -0.28 0.06 -0.07 0.21 -0.15 0.45 0.25 0.03 -0.32 0.04 0.05 0.01 0.04 -0.03 0.00 -0.03 -0.03 -0.04 -0.08 0.27 0.02 -0.05 0.00 0.03 -0.01 -0.01 0.00 0.01 -0.01 0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 0.01 -0.04 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.01 0.01 -0.02 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 0.01 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 0.01 0.01 0.02 0.05 -0.01 -0.05 0.07 -0.00 0.02 0.05 -0.01 -0.02 -0.02 -0.00 -0.05 0.00 0.04 -0.02 0.05 -0.07 -0.09 0.21 0.12 -0.00 -0.02 0.00 0.04 0.20 -0.24 -0.20 -0.46 -0.09 0.10 0.14 0.49 0.18 -0.11 -0.05 -0.17 0.03 0.13 0.23 -0.02 -0.20 -0.04 0.11 0.02 -0.19 0.05 0.03 0.06 -0.07 0.03 -0.03 -0.05 -0.05 0.00 0.01 -0.01 -0.00 0.00 -0.00 0.01 -0.02 -0.00 -0.04 0.01 -0.01 0.03 -0.02 0.06 0.03 0.00 -0.04 0.00 -0.01 0.00 0.00 0.01 0.00 -0.00 0.00 -0.00 -0.01 0.03 0.00 -0.01 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.01 0.00 -0.01 0.01 -0.06 -0.12 -0.02 0.02 0.00 -0.01 -0.01 0.01 0.01 -0.04 -0.08 -0.01 0.08 -0.05 0.01 -0.11 0.05 -0.02 0.03 0.04 0.01 0.03 0.04 0.00 -0.07 0.05 0.12 -0.05 -0.05 -0.12 -0.01 -0.02 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.04 -0.02 -0.02 -0.04 0.01 0.03 0.01 0.00 -0.01 -0.02 0.02 0.01 -0.04 0.01 0.01 -0.17 -0.06 -0.07 0.10 0.09 0.12 -0.01 -0.00 0.01 0.01 -0.00 -0.01 0.03 0.06 -0.01 -0.03 -0.04 -0.01 -0.02 0.00 -0.02 -0.02 -0.00 0.02 0.03 0.48 0.05 0.12 -0.46 -0.03 0.00 -0.40 -0.11 -0.14 0.15 -0.01 -0.04 -0.36 0.04 0.01 0.01 -0.01 -0.01 0.01 -0.02 0.00 -0.00 0.01 0.00 -0.00 0.00 -0.01 -0.02 0.04 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.02 -0.02 0.03 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 -0.04 0.01 0.01 0.01 -0.03 -0.01 -0.05 0.04 -0.04 0.16 0.19 0.01 -0.20 0.38 -0.09 0.33 0.25 0.19 -0.03 -0.13 0.02 -0.13 -0.10 0.00 0.18 -0.07 -0.45 0.12 0.20 0.38 0.04 0.03 -0.01 -0.01 -0.01 0.02 0.01 0.03 0.00 -0.01 -0.01 -0.03 0.03 -0.01 -0.01 -0.02 0.01 0.01 -0.01 0.01 0.00 -0.01 0.01 0.01 -0.02 0.01 0.01 -0.02 -0.11 0.00 -0.01 -0.03 -0.06 -0.00 0.00 -0.01 -0.01 -0.00 0.04 0.02 -0.03 -0.01 -0.01 0.00 -0.00 0.00 -0.00 0.01 0.00 0.00 -0.01 0.00 0.04 0.01 0.01 -0.04 -0.00 -0.00 -0.04 -0.01 -0.02 0.03 0.00 -0.01 -0.03 0.00 -0.02 0.01 -0.01 -0.00 0.00 -0.00 0.01 -0.01 0.03 -0.01 -0.01 0.01 0.00 -0.05 0.03 -0.01 0.00 -0.01 0.01 0.00 -0.00 0.00 -0.00 0.00 0.02 0.01 -0.01 0.00 -0.00 0.00 0.01 0.01 -0.01 -0.02 0.00 -0.03 -0.02 0.02 -0.04 0.00 -0.02 0.02 0.05 -0.03 -0.01 -0.04 0.00 -0.02 -0.08 -0.08 0.08 -0.01 0.07 0.05 -0.31 -0.23 0.15 -0.04 0.12 0.05 -0.03 -0.02 -0.01 -0.01 -0.01 -0.02 0.04 -0.03 -0.06 0.02 0.02 0.03 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 0.00 -0.00 -0.00 -0.01 0.01 -0.00 -0.00 -0.01 0.00 0.01 -0.00 0.00 -0.00 -0.01 0.00 0.00 -0.01 0.00 0.01 0.10 -0.06 0.01 0.10 0.23 0.13 0.01 0.01 -0.01 -0.01 0.00 0.05 -0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.00 0.00 0.01 0.00 0.00 -0.01 -0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.00 0.24 0.02 0.00 0.10 -0.19 0.35 -0.13 0.12 -0.23 -0.07 0.08 -0.17 -0.23 -0.09 0.01 -0.00 0.03 -0.05 -0.12 -0.07 0.10 0.09 0.04 -0.06 -0.03 0.05 -0.11 -0.02 0.05 -0.08 0.04 -0.07 0.14 -0.02 -0.12 0.14 -0.02 -0.05 0.13 0.00 -0.18 0.30 0.05 -0.06 -0.04 -0.10 -0.01 -0.08 -0.05 0.07 -0.02 0.08 -0.08 0.25 0.01 0.10 -0.04 0.06 0.05 0.29 0.02 -0.04 0.00 0.13 -0.06 -0.24 -0.12 -0.01 0.01 -0.17 -0.00 -0.50 -0.16 0.11 0.09 -0.01 -0.01 0.00 0.03 0.07 0.00 -0.00 -0.01 -0.06 0.20 -0.09 -0.08 -0.17 0.04 0.12 0.05 0.03 -0.06 -0.09 0.09 0.05 -0.22 0.08 0.09 -0.22 0.20 -0.13 0.03 0.17 0.09 0.00 -0.02 0.03 -0.05 -0.03 0.11 0.00 0.04 0.01 -0.00 0.00 0.00 0.01 -0.00 0.01 0.01 0.00 -0.01 -0.00 -0.04 -0.00 -0.01 0.03 0.00 0.00 0.04 0.01 0.01 -0.01 -0.00 0.00 0.03 -0.00 -0.01 0.01 -0.02 -0.00 0.01 -0.01 0.01 -0.02 0.03 -0.01 -0.01 0.01 -0.00 -0.03 0.05 -0.00 0.00 -0.00 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 0.02 0.00 -0.00 0.00 0.01 0.01 -0.01 -0.02 0.01 -0.03 -0.02 0.02 -0.03 0.00 -0.01 0.02 0.13 -0.10 -0.03 -0.11 -0.06 -0.08 -0.11 0.06 0.01 -0.08 0.03 0.12 0.06 0.23 -0.05 -0.03 0.28 0.28 0.06 -0.06 0.02 -0.06 0.15 -0.04 -0.15 0.16 0.04 -0.06 -0.04 -0.14 0.08 -0.11 -0.04 -0.00 0.00 -0.00 -0.01 -0.02 -0.00 0.00 0.00 0.03 -0.08 0.03 0.03 0.06 -0.01 -0.04 -0.02 -0.01 0.02 0.03 -0.04 -0.02 0.09 -0.03 -0.04 0.26 -0.10 0.03 0.08 0.23 0.13 0.02 0.00 -0.02 -0.07 -0.02 0.18 -0.01 0.05 0.01 0.00 -0.00 0.01 -0.00 0.00 -0.01 0.01 -0.00 -0.02 -0.00 -0.01 -0.00 -0.01 0.01 0.00 0.00 0.02 0.00 0.01 -0.01 -0.00 0.01 0.01 -0.00 0.09 0.06 -0.07 -0.03 0.05 -0.10 0.01 -0.03 0.06 -0.03 -0.01 0.00 -0.09 -0.23 0.36 0.00 0.00 -0.00 -0.03 -0.02 0.02 0.01 0.00 -0.00 -0.13 -0.14 0.23 0.01 -0.01 0.01 0.03 0.01 -0.00 -0.05 -0.00 -0.05 -0.05 0.03 -0.05 0.00 -0.05 0.08 -0.01 0.03 0.02 -0.01 0.01 -0.02 0.02 0.06 -0.05 0.11 -0.05 0.12 -0.09 0.04 -0.03 0.31 -0.22 0.24 -0.01 -0.02 0.00 -0.06 0.16 -0.08 -0.25 0.28 -0.03 -0.16 0.02 -0.26 0.07 -0.10 -0.04 -0.01 0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.00 0.02 -0.05 0.02 0.02 0.04 -0.01 -0.02 -0.01 -0.01 0.01 0.01 -0.02 -0.00 0.06 -0.03 -0.03 -0.18 0.16 -0.04 -0.06 -0.08 -0.06 -0.01 -0.01 0.02 0.00 -0.01 -0.00 -0.00 -0.02 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 0.00 0.00 -0.01 -0.00 -0.00 -0.01 -0.00 -0.00 0.01 0.00 -0.00 -0.01 0.00 -0.12 -0.05 0.05 0.03 -0.07 0.12 -0.01 0.01 -0.03 0.02 0.00 0.01 0.10 0.23 -0.32 -0.02 0.01 -0.01 0.05 0.02 -0.02 0.00 -0.00 0.00 0.19 0.19 -0.29 -0.00 0.01 -0.02 -0.01 -0.00 -0.00 0.02 0.01 0.01 0.03 -0.02 0.02 0.00 0.04 -0.05 0.17 -0.02 -0.08 -0.06 -0.01 0.01 0.11 0.04 0.02 -0.15 0.13 0.08 0.04 0.13 0.01 -0.28 0.18 -0.01 -0.03 -0.03 -0.03 0.02 -0.03 -0.02 0.07 -0.11 0.05 0.10 -0.08 0.05 -0.01 0.01 0.02 -0.00 -0.00 -0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.01 -0.00 0.00 0.00 0.01 0.00 0.01 0.00 -0.00 -0.02 0.01 0.01 0.58 -0.29 0.08 -0.16 -0.22 -0.01 0.02 0.01 -0.03 0.04 0.02 -0.06 -0.05 -0.05 0.01 0.01 -0.00 0.00 -0.01 0.01 -0.02 -0.01 -0.00 0.01 0.00 0.03 0.00 0.00 -0.03 -0.00 0.00 -0.02 -0.00 -0.00 -0.01 -0.00 0.00 -0.02 0.00 -0.08 -0.04 0.04 0.02 -0.03 0.05 -0.01 0.00 -0.01 0.04 -0.02 0.04 0.08 0.17 -0.25 0.01 -0.01 0.02 0.02 0.02 -0.04 -0.01 -0.00 0.00 0.10 0.13 -0.20 -0.00 0.00 -0.00 -0.02 0.01 -0.02 0.03 0.03 -0.00 0.03 -0.01 -0.01 -0.00 0.06 -0.11 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 0.01 -0.01 0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 0.00 0.00 -0.01 -0.02 -0.00 0.00 0.00 0.00 0.01 0.00 -0.02 -0.00 -0.00 0.00 0.01 0.00 -0.02 0.01 -0.01 0.02 -0.02 -0.00 0.02 -0.01 -0.00 0.06 0.02 0.01 -0.13 0.13 -0.60 0.16 -0.06 -0.10 0.30 -0.16 0.63 0.20 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.01 0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.01 0.00 0.00 0.00 0.00 -0.00 0.01 0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.01 0.01 0.02 0.00 0.00 0.01 0.02 0.03 0.04 0.03 -0.07 -0.09 -0.07 0.07 0.27 0.19 0.64 -0.07 -0.29 -0.33 0.24 0.44 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.04 -0.11 0.01 -0.00 -0.01 -0.04 -0.03 0.09 -0.05 -0.05 -0.05 -0.10 0.12 0.10 -0.06 -0.22 0.35 -0.10 0.10 -0.01 0.05 -0.00 -0.04 0.06 0.06 -0.05 -0.00 0.06 -0.00 0.15 -0.01 0.02 -0.00 0.01 0.01 0.01 -0.01 -0.02 -0.00 -0.00 -0.00 -0.02 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.01 0.01 0.02 -0.01 -0.01 -0.00 0.00 0.01 -0.17 -0.12 -0.06 0.15 0.27 0.05 -0.01 -0.03 -0.00 -0.16 -0.06 0.33 0.05 0.11 0.00 -0.05 -0.04 0.18 -0.06 0.05 -0.14 0.16 0.02 -0.20 -0.00 -0.04 0.01 0.00 0.03 -0.04 0.04 -0.15 0.05 -0.02 -0.01 0.10 -0.06 0.22 0.06 -0.09 -0.01 0.01 0.01 -0.05 0.09 -0.00 -0.01 0.01 0.00 -0.00 0.01 0.07 0.12 -0.19 -0.03 0.01 -0.02 0.05 0.01 0.00 0.01 0.00 0.00 0.16 0.15 -0.22 -0.00 0.01 -0.01 0.00 0.00 -0.00 -0.00 0.01 -0.01 -0.00 0.00 -0.01 0.00 0.01 -0.02 0.02 0.13 0.02 0.00 0.05 0.03 0.06 -0.10 0.04 0.08 0.06 0.10 -0.15 -0.29 0.10 0.26 -0.44 0.06 -0.13 0.00 -0.06 -0.00 0.04 -0.06 -0.03 0.04 -0.02 -0.07 0.04 -0.13 0.01 -0.02 -0.00 -0.02 -0.03 -0.03 0.02 0.05 0.01 0.01 0.01 0.05 -0.01 0.00 -0.00 0.01 0.00 0.01 0.02 -0.02 -0.02 -0.04 0.01 0.01 0.00 -0.00 -0.02 0.07 0.10 0.05 -0.04 0.02 -0.05 -0.00 -0.01 0.00 0.01 0.01 -0.04 -0.03 -0.12 -0.01 -0.03 -0.03 0.15 -0.06 0.05 -0.14 0.11 0.02 -0.15 -0.02 0.03 0.01 0.04 -0.01 -0.02 -0.03 -0.21 -0.02 -0.06 0.17 0.07 -0.10 -0.00 0.03 0.16 0.00 0.02 0.02 0.06 -0.10 -0.05 0.02 -0.05 0.06 -0.03 0.07 -0.12 -0.10 0.13 0.10 -0.07 0.15 -0.12 0.03 -0.09 -0.03 0.00 -0.01 -0.22 -0.08 0.08 -0.00 -0.01 0.02 -0.05 0.02 -0.04 0.05 0.05 0.00 0.05 -0.01 -0.04 -0.01 0.10 -0.19 0.02 0.07 -0.01 0.02 0.00 0.04 0.00 -0.01 -0.00 -0.03 0.00 -0.01 0.12 0.07 -0.03 0.04 -0.13 -0.01 0.02 0.01 -0.00 0.01 -0.00 -0.00 0.02 -0.03 0.03 0.04 -0.07 -0.00 -0.01 0.01 0.01 -0.10 -0.21 -0.19 0.13 0.31 0.06 0.07 0.09 0.31 -0.02 0.01 -0.02 0.03 0.01 0.04 0.09 -0.11 -0.13 -0.22 0.08 0.07 -0.01 -0.01 -0.13 0.15 0.01 0.05 -0.09 -0.14 -0.10 0.00 0.01 -0.01 0.02 0.01 -0.04 -0.02 -0.06 -0.00 -0.01 -0.01 0.03 -0.02 0.01 -0.03 0.02 0.00 -0.03 -0.01 0.01 0.00 0.02 -0.01 -0.00 -0.02 -0.08 -0.02 -0.02 0.08 0.02 -0.04 -0.03 0.01 -0.11 0.01 -0.03 -0.02 -0.00 -0.01 0.08 -0.02 0.06 -0.10 0.06 -0.13 0.09 -0.01 0.05 -0.10 0.09 -0.19 0.11 -0.06 0.14 0.02 -0.01 0.02 0.05 -0.15 0.28 0.01 0.00 -0.00 0.07 -0.03 0.07 -0.06 -0.09 0.02 -0.08 0.01 0.09 0.01 -0.17 0.31 -0.05 -0.13 0.01 -0.01 -0.02 -0.05 -0.03 0.05 -0.01 0.00 -0.02 -0.05 -0.09 0.01 0.00 -0.11 0.32 -0.01 0.02 -0.01 0.03 -0.02 -0.01 0.04 0.02 0.00 -0.04 0.00 0.03 0.08 0.01 0.00 -0.01 -0.04 -0.09 -0.08 0.05 0.13 0.03 0.03 0.04 0.13 -0.01 0.00 -0.00 0.01 0.01 0.01 0.01 -0.04 -0.04 -0.08 0.02 0.03 0.02 -0.01 -0.05 -0.22 -0.09 -0.08 0.13 0.18 0.12 -0.01 -0.01 0.02 -0.04 -0.02 0.09 0.05 0.12 0.00 0.01 0.01 -0.07 0.03 -0.02 0.07 -0.04 -0.01 0.06 0.02 -0.03 -0.00 -0.05 0.01 0.00 0.05 0.17 0.04 0.06 -0.20 -0.04 0.09 0.08 -0.01 0.08 -0.01 0.03 0.02 -0.02 0.04 -0.08 0.02 -0.06 0.10 -0.06 0.13 -0.07 0.04 -0.11 0.09 -0.09 0.18 -0.09 0.06 -0.13 -0.01 0.01 -0.02 0.02 0.21 -0.38 -0.01 0.00 -0.00 -0.07 0.03 -0.07 0.06 0.09 -0.02 0.07 -0.01 -0.09 -0.01 0.17 -0.31 -0.00 -0.01 0.00 -0.00 -0.01 -0.01 -0.01 0.01 -0.01 -0.01 -0.01 -0.01 0.00 0.02 -0.01 -0.03 0.05 -0.01 0.01 -0.00 0.01 -0.00 -0.00 0.01 0.01 -0.00 0.00 0.01 -0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.02 0.04 0.02 -0.00 -0.00 -0.00 -0.01 -0.01 0.04 0.00 0.01 0.00 0.02 0.01 -0.01 0.01 -0.00 0.01 -0.01 -0.00 0.02 -0.09 -0.04 -0.02 0.13 0.05 0.02 -0.21 -0.41 -0.17 -0.16 0.70 0.06 -0.28 -0.33 0.00 -0.00 0.00 0.00 0.00 -0.01 0.01 -0.01 0.00 -0.00 0.01 -0.00 0.01 -0.00 0.01 -0.01 0.00 -0.01 0.01 -0.00 0.00 -0.01 0.00 0.00 -0.00 0.01 0.03 -0.05 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 -0.00 0.00 0.00 -0.01 0.00 0.01 -0.02 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.00 0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 0.01 -0.00 0.01 -0.01 0.00 0.00 -0.00 -0.00 0.01 -0.00 0.02 -0.00 -0.01 -0.00 -0.00 -0.01 -0.01 -0.04 0.07 -0.05 0.05 -0.11 0.09 0.61 -0.13 -0.38 -0.21 0.34 -0.08 -0.46 0.24 -0.02 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.07 -0.19 -0.00 -0.01 0.05 -0.04 0.20 -0.00 0.09 0.06 0.07 0.08 0.22 -0.37 0.17 -0.09 0.11 -0.02 -0.17 0.00 -0.09 -0.04 0.02 -0.00 -0.03 0.05 -0.07 -0.07 0.11 0.01 0.03 -0.02 -0.02 -0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.24 -0.49 -0.16 0.01 -0.01 0.12 -0.01 -0.01 0.03 0.03 0.01 -0.11 0.07 0.15 -0.01 0.00 -0.00 -0.00 0.01 -0.01 0.01 0.01 -0.00 -0.00 -0.01 -0.04 -0.01 0.00 0.03 0.00 -0.02 -0.00 -0.01 -0.00 0.04 0.00 -0.02 0.00 0.00 -0.02 -0.04 0.04 0.03 0.04 -0.07 0.02 0.01 -0.01 -0.01 0.02 -0.04 0.06 0.10 -0.13 -0.01 0.03 -0.06 0.00 -0.02 0.04 -0.02 -0.01 0.01 -0.13 -0.19 0.31 -0.00 -0.00 0.01 0.01 -0.01 0.01 0.00 -0.04 0.03 -0.00 -0.01 0.05 -0.00 -0.04 0.08 0.09 0.06 0.04 -0.03 -0.01 -0.11 0.05 0.07 0.02 0.02 0.01 -0.02 0.28 -0.32 0.08 -0.17 0.04 -0.18 -0.02 -0.02 -0.03 -0.03 -0.01 0.03 0.15 -0.13 -0.02 -0.11 0.19 0.06 0.02 0.01 -0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.11 0.42 0.01 0.21 0.45 0.01 -0.02 -0.04 0.04 -0.13 -0.08 0.36 -0.04 -0.07 0.01 -0.00 0.00 -0.02 0.00 0.00 0.01 -0.01 -0.00 0.02 0.01 0.02 0.00 -0.00 -0.01 -0.00 0.01 0.00 0.00 0.00 -0.02 -0.00 0.01 -0.00 -0.00 -0.02 -0.01 -0.01 0.03 0.00 -0.00 -0.00 -0.01 0.01 0.00 -0.01 0.02 0.04 0.06 -0.10 -0.01 0.01 -0.02 -0.01 -0.01 0.01 -0.00 -0.00 0.00 -0.03 -0.03 0.05 -0.00 0.00 -0.00 0.00 0.00 -0.01 -0.01 0.01 -0.02 -0.01 0.01 -0.02 0.00 0.01 -0.02 0.10 -0.01 -0.01 0.05 0.08 -0.05 -0.04 0.07 -0.02 0.01 -0.04 -0.02 -0.23 -0.33 0.09 -0.11 0.50 0.10 0.01 -0.02 0.02 -0.01 -0.00 0.02 0.00 0.01 -0.03 -0.04 0.05 0.02 0.00 0.00 -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.15 0.14 -0.11 -0.24 -0.38 -0.34 -0.04 -0.02 0.08 0.10 0.02 -0.27 -0.02 -0.01 -0.00 0.00 -0.00 0.01 -0.01 0.00 -0.01 0.00 -0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.01 0.00 -0.00 -0.01 -0.00 0.02 -0.04 0.04 -0.05 0.01 -0.03 0.01 0.02 -0.03 -0.03 0.03 -0.05 -0.04 -0.08 0.11 0.02 -0.01 0.03 0.03 0.02 -0.03 -0.01 -0.00 0.00 -0.01 -0.02 0.04 0.00 -0.00 0.01 0.01 -0.01 0.01 0.01 -0.05 0.04 0.01 -0.01 0.06 -0.01 -0.05 0.08 0.03 -0.01 -0.01 -0.10 -0.06 0.06 0.03 -0.01 0.00 0.05 -0.04 -0.01 0.01 0.11 -0.02 -0.16 0.24 -0.09 -0.02 0.01 -0.00 -0.02 -0.01 0.03 0.05 -0.03 -0.04 -0.15 0.19 0.00 0.02 0.00 -0.02 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.19 0.45 -0.03 -0.05 -0.30 0.63 0.06 0.04 -0.07 0.06 0.06 -0.21 -0.01 -0.01 0.01 -0.00 0.00 0.01 -0.00 0.00 -0.01 0.01 0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.03 -0.02 0.00 -0.01 0.00 0.01 -0.01 -0.01 0.01 -0.02 -0.02 -0.02 0.04 0.01 -0.00 0.01 0.01 0.01 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 0.01 -0.02 0.02 0.00 -0.01 0.03 -0.00 -0.02 0.03 -0.02 -0.01 0.01 0.00 -0.00 -0.01 0.04 -0.00 0.02 -0.01 0.02 0.03 0.23 -0.02 -0.00 -0.01 -0.26 -0.08 -0.02 0.00 -0.03 -0.02 0.00 -0.01 0.19 -0.19 0.03 -0.14 0.17 -0.04 0.02 0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.03 -0.13 0.01 0.06 0.13 -0.02 -0.00 -0.01 0.00 -0.03 -0.02 0.08 0.01 0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.03 -0.00 -0.00 -0.15 -0.04 0.03 0.05 0.02 -0.01 -0.02 0.04 -0.08 -0.14 -0.33 0.52 0.03 -0.04 0.07 0.08 0.04 -0.05 0.01 0.00 -0.00 0.22 0.22 -0.34 0.00 -0.00 0.00 0.01 -0.01 0.02 0.02 -0.06 0.06 0.02 -0.02 0.08 -0.01 -0.06 0.11 -0.02 0.02 0.00 -0.03 -0.03 -0.01 0.08 0.03 -0.06 0.00 0.01 -0.03 -0.30 0.20 -0.04 0.03 0.02 -0.01 0.01 -0.01 0.03 0.03 -0.00 0.01 -0.28 0.27 -0.02 0.26 -0.31 0.08 -0.03 -0.01 0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.11 0.07 0.08 0.17 0.34 0.10 0.01 -0.01 -0.02 -0.12 -0.05 0.32 0.00 -0.01 0.00 -0.00 0.00 -0.01 0.00 0.00 0.01 -0.00 -0.00 0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 -0.09 0.15 -0.05 0.03 -0.06 0.01 0.04 -0.07 -0.06 0.04 -0.09 0.02 0.04 -0.08 0.04 -0.01 0.04 0.03 0.03 -0.05 -0.02 -0.01 0.01 -0.09 -0.13 0.21 -0.00 -0.00 0.01 0.01 -0.01 0.02 0.01 -0.10 0.08 0.00 -0.02 0.13 -0.03 -0.10 0.17 0.01 0.02 -0.00 -0.00 -0.00 0.01 0.02 -0.02 0.05 0.05 0.01 -0.04 0.33 -0.14 0.04 0.09 0.35 0.13 -0.06 -0.01 -0.03 0.04 -0.01 0.01 -0.40 0.40 -0.06 0.32 -0.38 0.10 -0.04 -0.02 0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.12 0.00 0.01 0.01 0.03 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.02 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.02 0.04 -0.06 -0.02 -0.02 0.03 0.01 -0.01 0.03 0.01 -0.01 0.01 -0.04 -0.12 0.19 -0.01 -0.01 0.01 0.01 -0.00 0.01 0.01 0.01 -0.01 0.10 0.12 -0.19 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.02 -0.01 0.00 0.00 -0.03 0.01 0.02 -0.03 -0.05 0.03 0.03 0.01 -0.03 -0.06 -0.04 0.14 -0.00 -0.04 0.04 -0.03 0.03 -0.48 0.12 0.25 -0.27 0.09 0.03 -0.04 0.00 -0.00 0.02 -0.03 0.09 -0.13 0.09 0.21 -0.22 0.06 -0.02 0.00 0.02 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.07 -0.12 0.07 0.07 -0.26 0.56 0.01 -0.00 0.01 0.05 0.02 -0.14 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.01 -0.02 -0.01 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 0.00 0.01 0.01 -0.03 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.01 0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.01 -0.00 -0.01 0.00 0.00 0.00 -0.00 0.01 -0.09 0.01 -0.07 0.04 -0.01 0.07 -0.00 0.02 -0.01 -0.01 -0.07 -0.02 0.25 -0.19 0.01 0.27 0.40 0.43 -0.04 -0.00 -0.00 0.01 0.01 -0.01 0.21 -0.18 0.04 -0.18 0.14 -0.12 0.01 0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.44 0.11 0.23 0.03 0.05 -0.08 0.01 0.00 -0.04 -0.07 -0.02 0.18 0.00 0.00 0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 0.03 0.01 0.00 -0.00 -0.00 0.00 -0.01 -0.01 0.00 -0.01 0.01 0.04 -0.06 0.01 -0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.03 -0.03 0.05 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 0.01 0.00 -0.00 0.02 -0.00 -0.01 0.02 -0.10 -0.00 -0.06 0.04 -0.01 -0.07 0.01 0.03 0.01 0.05 -0.01 0.05 -0.26 -0.07 0.06 -0.30 -0.02 -0.27 0.02 0.01 0.00 0.01 -0.04 0.03 -0.23 0.26 -0.15 -0.17 0.18 -0.04 0.01 -0.01 -0.02 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.54 0.14 0.31 0.14 0.06 0.13 -0.02 -0.00 0.04 0.09 0.03 -0.24 0.01 -0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 -0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 -0.01 0.00 -0.03 -0.01 -0.00 0.00 0.00 -0.01 0.01 0.01 -0.00 0.01 -0.02 -0.04 0.06 -0.01 0.01 -0.01 0.00 -0.00 0.01 0.00 -0.00 0.00 0.03 0.03 -0.04 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.02 -0.02 0.00 0.00 -0.03 0.01 0.02 -0.03 0.00 0.05 -0.01 -0.02 0.02 0.11 0.01 0.06 -0.04 0.01 -0.01 0.03 -0.33 -0.41 0.10 -0.14 0.04 -0.09 0.02 -0.01 0.01 0.02 -0.03 0.02 -0.13 0.16 -0.09 -0.12 0.12 -0.05 0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.08 -0.31 -0.12 -0.11 -0.11 0.02 0.03 -0.01 -0.07 -0.19 -0.08 0.48 0.00 -0.00 -0.01 0.00 -0.00 -0.01 0.00 0.00 0.01 -0.01 0.00 0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.04 -0.00 -0.03 0.04 0.01 -0.01 -0.01 0.00 -0.01 0.06 0.01 0.00 -0.11 -0.18 0.27 -0.01 0.01 -0.02 -0.01 -0.01 0.02 -0.01 -0.00 0.00 -0.01 -0.01 0.01 0.00 -0.00 0.00 -0.02 -0.01 0.01 0.05 0.08 -0.01 0.06 -0.03 -0.07 0.00 0.03 -0.05 -0.01 0.05 -0.00 0.01 -0.01 0.05 -0.10 0.03 -0.01 0.03 0.01 0.05 0.50 -0.13 -0.05 -0.21 -0.03 -0.19 0.01 -0.01 -0.01 0.02 -0.04 0.02 -0.22 0.24 -0.12 -0.15 0.18 -0.03 0.01 -0.00 -0.02 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.03 -0.31 -0.08 -0.07 -0.11 -0.04 0.01 0.00 -0.02 -0.03 -0.01 0.08 0.00 -0.01 -0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.08 0.01 0.02 -0.05 -0.01 0.01 0.02 -0.01 0.02 -0.11 -0.02 0.00 0.17 0.25 -0.37 0.02 -0.02 0.05 0.01 0.02 -0.03 0.02 0.01 -0.01 -0.02 -0.01 0.02 -0.00 0.00 -0.00 0.03 0.02 -0.02 -0.08 -0.15 0.01 -0.11 0.05 0.13 -0.00 -0.05 0.08 -0.00 0.01 0.00 0.00 -0.01 -0.01 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.07 0.04 -0.02 0.00 0.00 0.00 0.01 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.02 -0.01 -0.02 0.01 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.01 -0.03 -0.00 0.01 -0.00 0.01 -0.00 0.00 0.01 0.02 0.01 -0.05 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.04 0.00 -0.01 0.08 0.01 -0.01 -0.03 -0.01 0.00 0.06 0.00 0.01 -0.07 -0.07 0.09 -0.00 -0.01 0.01 -0.04 -0.01 0.02 0.00 0.00 -0.01 -0.01 0.02 -0.03 -0.00 0.00 -0.00 -0.03 0.07 -0.13 0.22 -0.39 0.35 0.18 -0.05 0.54 -0.17 -0.27 0.43 -0.02 -0.12 -0.05 0.01 0.03 0.09 0.02 0.01 -0.00 0.03 0.03 0.03 -0.31 -0.27 0.10 -0.12 -0.16 -0.19 -0.00 0.00 -0.00 -0.05 0.04 -0.04 0.10 -0.16 0.08 0.26 -0.21 0.13 -0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.05 0.48 0.09 -0.12 -0.06 -0.20 0.01 -0.00 -0.04 -0.09 -0.03 0.22 0.00 0.02 0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 -0.00 -0.00 0.01 -0.00 0.00 0.01 0.00 0.04 0.03 -0.06 -0.06 -0.01 -0.00 0.03 -0.02 0.03 -0.05 -0.03 0.04 0.10 0.10 -0.15 -0.01 -0.00 0.01 0.01 -0.00 0.01 0.02 0.01 -0.01 0.07 0.07 -0.11 0.00 -0.00 0.00 0.02 0.03 -0.04 -0.06 -0.19 0.04 -0.09 0.04 0.18 -0.01 -0.04 0.07 -0.02 -0.07 -0.04 0.03 -0.02 0.06 -0.09 0.05 -0.03 0.04 0.04 0.04 0.55 -0.02 -0.09 -0.19 -0.21 -0.28 0.03 -0.01 -0.01 -0.04 0.01 -0.03 -0.02 -0.02 0.01 0.19 -0.15 0.11 -0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.05 0.29 0.06 -0.07 -0.06 -0.24 -0.00 0.01 -0.01 0.03 0.02 -0.09 0.00 0.01 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.05 -0.04 0.06 0.10 0.01 0.00 -0.04 0.02 -0.04 0.05 0.03 -0.05 -0.13 -0.13 0.19 0.02 -0.00 0.01 -0.02 0.01 -0.02 -0.02 -0.01 0.01 -0.13 -0.12 0.19 -0.00 0.00 -0.00 -0.02 -0.03 0.04 0.09 0.18 -0.02 0.12 -0.06 -0.16 0.00 0.02 -0.03 0.03 -0.12 0.00 0.01 0.03 0.01 -0.00 0.01 0.00 -0.12 0.13 -0.07 0.05 -0.03 0.01 0.40 -0.36 0.20 0.01 -0.02 0.00 0.09 -0.07 0.07 -0.18 0.32 -0.21 -0.35 0.21 -0.22 0.01 -0.00 -0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.00 0.01 -0.02 0.00 0.00 -0.01 0.01 0.01 -0.09 0.42 0.04 -0.07 -0.10 -0.05 0.00 -0.01 -0.01 -0.04 -0.02 0.08 -0.00 0.01 0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.00 0.01 -0.00 -0.00 0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.01 0.02 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 0.01 0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.02 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.04 -0.03 0.40 -0.06 0.28 -0.43 0.13 -0.22 -0.09 0.62 0.34 -0.01 -0.01 0.01 0.04 0.17 -0.10 -0.03 -0.08 0.00 0.02 -0.01 0.01 0.12 0.22 -0.08 -0.05 0.02 -0.04 -0.00 0.01 -0.00 -0.01 0.01 -0.02 -0.02 -0.04 0.07 0.06 0.03 0.07 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.14 0.04 0.10 -0.13 -0.44 0.36 0.00 -0.06 0.01 -0.19 -0.11 0.48 -0.01 -0.01 -0.00 -0.00 0.00 -0.01 0.00 0.00 0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 0.00 0.01 0.02 0.00 -0.01 0.03 -0.02 0.02 0.03 0.01 0.01 0.00 0.01 -0.01 -0.00 0.00 -0.01 -0.01 0.01 -0.01 0.00 -0.00 0.01 0.04 -0.06 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.02 -0.00 -0.00 0.19 0.21 0.01 0.22 -0.07 -0.15 -0.06 -0.10 0.17 0.00 0.01 -0.00 -0.02 -0.06 0.04 0.01 0.02 0.00 -0.00 0.00 -0.00 -0.07 -0.10 0.04 0.01 -0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 -0.01 -0.01 0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.05 -0.02 -0.04 0.04 0.15 -0.12 -0.00 0.02 -0.00 0.06 0.03 -0.15 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 0.01 -0.02 0.01 -0.01 -0.02 -0.00 0.05 0.01 -0.00 -0.07 -0.01 0.00 -0.01 -0.01 0.02 -0.01 -0.01 0.02 0.04 0.08 -0.12 -0.02 0.01 -0.02 0.03 0.00 -0.00 0.00 -0.00 0.00 0.03 0.01 -0.01 0.00 0.00 -0.00 -0.04 0.00 -0.02 0.40 0.43 0.02 0.46 -0.14 -0.31 -0.13 -0.20 0.37 0.00 0.00 0.00 -0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.01 0.00 0.01 0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 -0.01 -0.01 0.01 0.02 -0.02 -0.00 0.00 -0.00 0.01 0.00 -0.02 -0.00 -0.00 -0.00 0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.03 -0.00 0.00 -0.10 0.00 0.05 0.45 -0.11 -0.22 0.55 -0.16 0.14 0.57 0.23 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.01 0.01 0.00 0.01 -0.00 -0.01 0.00 -0.01 -0.02 -0.02 0.01 0.08 -0.01 0.07 0.00 -0.00 0.00 0.02 -0.03 -0.07 -0.40 -0.05 0.55 0.18 0.55 0.40 0.01 -0.01 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.04 0.01 0.05 -0.06 0.02 0.01 -0.04 0.04 0.02 -0.01 0.03 -0.00 0.01 0.03 -0.03 -0.00 0.00 -0.00 0.01 0.01 -0.03 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 0.01 -0.01 0.00 -0.00 -0.01 -0.00 -0.01 -0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 -0.00 0.01 -0.01 -0.00 0.00 0.00 0.00 -0.00 0.01 0.01 -0.02 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.01 0.01 0.00 -0.00 0.00 0.00 -0.01 -0.01 -0.05 0.00 0.06 0.01 0.07 0.04 -0.00 0.00 -0.00 0.00 -0.01 0.01 0.00 0.01 0.00 -0.00 -0.00 -0.01 -0.03 0.02 0.01 -0.07 0.04 0.04 0.33 -0.18 -0.48 0.58 -0.21 -0.02 0.30 -0.30 -0.20 -0.00 0.01 -0.00 0.00 0.00 -0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.01 -0.01 -0.01 -0.02 0.01 0.01 -0.00 0.00 0.07 0.01 -0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.04 -0.01 0.06 0.04 0.05 0.05 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.01 0.00 -0.00 -0.02 0.02 -0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.06 0.02 -0.01 -0.13 -0.10 0.15 -0.02 0.04 -0.07 0.11 -0.07 0.15 -0.11 -0.13 0.18 -0.04 0.08 -0.15 0.14 0.10 -0.14 -0.07 -0.05 0.07 -0.24 -0.40 0.65 -0.00 0.01 -0.01 -0.01 0.03 -0.06 -0.05 -0.19 0.05 -0.08 0.04 0.18 -0.01 0.04 -0.09 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.01 0.02 -0.02 -0.05 0.32 0.45 0.11 -0.20 0.02 0.67 -0.38 -0.22 0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 0.01 0.00 0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.01 -0.04 -0.03 -0.02 0.47 0.50 0.12 -0.27 0.20 -0.06 0.47 -0.30 0.29 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.05 0.01 -0.02 0.43 -0.19 0.48 -0.18 0.32 0.05 0.55 -0.17 -0.28 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.01 0.01 0.03 -0.04 0.13 -0.14 -0.29 -0.23 -0.55 0.37 0.01 0.18 0.59 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 0.00 0.01 -0.04 0.02 -0.04 0.01 0.01 0.01 0.25 0.05 -0.08 -0.03 -0.03 -0.04 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.02 0.01 0.00 0.02 0.01 0.02 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.02 -0.04 -0.02 0.00 -0.00 -0.00 -0.01 -0.00 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.14 -0.07 0.17 -0.16 0.06 -0.14 -0.08 0.04 -0.09 0.15 -0.03 0.08 -0.13 -0.04 0.03 -0.05 0.09 -0.17 -0.00 -0.10 0.17 -0.02 -0.01 0.02 0.36 0.38 -0.57 0.00 -0.00 0.00 -0.01 0.01 -0.02 -0.07 -0.11 0.01 -0.09 0.03 0.09 0.03 0.09 -0.15 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.02 -0.01 0.01 -0.00 -0.00 -0.00 0.01 0.01 0.01 0.00 0.00 0.01 0.01 0.00 0.00 -0.00 0.00 0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.01 0.00 0.00 -0.00 0.01 0.01 -0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.04 0.03 -0.07 0.05 -0.02 0.04 0.05 0.00 0.01 -0.19 -0.03 0.01 0.05 -0.01 0.03 0.64 0.20 -0.19 -0.09 -0.03 0.03 -0.33 -0.13 0.16 0.12 0.25 -0.41 -0.00 0.00 -0.01 0.02 0.01 -0.01 0.04 0.02 -0.02 0.04 0.01 -0.02 -0.03 -0.10 0.17 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 -0.00 0.00 0.00 0.00 -0.05 -0.05 0.01 -0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.02 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.09 0.04 -0.06 -0.11 -0.03 0.03 -0.31 -0.22 0.32 0.31 0.21 -0.31 -0.07 0.29 -0.51 0.08 0.01 0.01 0.04 0.03 -0.04 -0.08 -0.03 0.03 0.01 -0.01 0.03 0.00 0.00 -0.00 -0.01 -0.03 0.06 -0.04 -0.15 0.10 -0.06 -0.02 0.18 0.04 0.08 -0.14 0.03 0.01 -0.06 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.03 -0.01 0.03 -0.00 -0.00 0.00 0.30 0.14 -0.33 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 0.01 0.01 -0.04 -0.02 0.04 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.40 -0.15 0.76 0.06 -0.03 -0.02 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.03 -0.01 -0.03 -0.02 -0.01 -0.01 0.01 -0.01 0.03 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 -0.03 0.04 0.32 -0.29 -0.45 0.20 0.60 0.05 -0.44 -0.00 -0.11 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.01 -0.01 0.01 0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.04 -0.00 0.03 0.20 -0.26 0.25 -0.15 -0.28 -0.49 0.41 0.55 -0.14 -0.00 -0.00 0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.02 -0.01 0.03 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 0.00 0.02 0.01 -0.04 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.02 0.04 0.00 0.45 -0.14 -0.49 -0.36 -0.15 -0.10 0.18 -0.23 0.54 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.02 0.01 -0.04 -0.00 0.00 0.00 -0.00 0.00 0.00 0.05 0.02 -0.05 0.00 -0.00 -0.01 -0.56 -0.25 0.61 0.00 0.00 0.00 -0.00 -0.00 0.01 -0.04 -0.04 -0.03 0.10 0.05 -0.09 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.22 -0.08 0.41 0.03 -0.01 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 0.01 0.01 0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 -0.01 -0.00 -0.00 -0.00 -0.09 -0.04 0.09 0.00 0.00 0.00 -0.01 -0.03 -0.06 0.47 0.57 0.33 -0.37 -0.20 0.38 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.01 0.01 -0.00 -0.01 -0.00 0.02 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.07 0.04 0.02 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.02 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.03 0.01 -0.06 0.87 -0.41 -0.24 0.00 0.00 0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.01 -0.08 -0.05 -0.38 0.31 0.51 0.23 0.66 0.03 0.01 -0.01 -0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.02 -0.02 -0.01 -0.03 -0.01 0.03 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.04 -0.08 -0.03 -0.07 0.07 -0.09 0.19 0.33 0.61 0.39 0.53 -0.14 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 0.00 -0.01 0.00 -0.00 -0.00 -0.06 -0.03 0.07 -0.00 -0.00 -0.00 0.07 0.06 -0.03 -0.33 -0.40 -0.25 -0.53 -0.28 0.55 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 -0.02 -0.03 -0.02 -0.03 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.02 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.02 0.01 -0.09 -0.46 0.14 0.48 -0.05 -0.02 -0.03 0.22 -0.26 0.63 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.02 -0.08 0.00 0.00 -0.00 0.12 0.20 0.97 -0.01 -0.00 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.02 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.01 0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.09 -0.01 -0.00 0.15 -0.15 -0.23 0.09 0.30 0.02 0.86 -0.00 0.23 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.03 -0.05 0.07 -0.43 0.57 -0.56 -0.09 -0.18 -0.29 0.13 0.17 -0.03 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.09 -0.02 -0.03 0.15 -0.05 -0.18 0.82 0.34 0.23 0.08 -0.11 0.27 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.01 0.01 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.08 0.00 -0.03 0.00 0.00 -0.00 0.95 -0.05 0.31 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.07 0.01 -0.03 -0.00 -0.00 0.00 0.91 -0.10 0.39 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.01 -0.00 -0.06 -0.01 0.04 0.99 0.13 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00</array>
<array dataType="xsd:integer" dictRef="cc:atomicNumber" size="46">6 6 6 6 1 1 8 6 1 1 8 15 8 8 8 6 1 1 1 1 1 8 1 8 15 8 8 8 6 1 1 1 7 6 6 6 1 6 7 8 1 16 6 1 1 1</array>
</module>
</module>
<table id="l716.forcematrix"/>
</property>
<property dictRef="cc:thermochemistry">
<list id="l716.thermochemistry">
<scalar dataType="xsd:double" dictRef="cc:temp" units="si:k">298.150</scalar>
<scalar dataType="xsd:double" dictRef="cc:press" units="nonsi:atm">1.00000</scalar>
<list cmlx:templateRef="mass">
<array dataType="xsd:integer" dictRef="cc:serial" size="46">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</array>
<array dataType="xsd:integer" dictRef="x:elementType" size="46">6 6 6 6 1 1 8 6 1 1 8 15 8 8 8 6 1 1 1 1 1 8 1 8 15 8 8 8 6 1 1 1 7 6 6 6 1 6 7 8 1 16 6 1 1 1</array>
<array dataType="xsd:double" dictRef="cc:atomicmass" size="46">12.00000 12.00000 12.00000 12.00000 1.00783 1.00783 15.99491 12.00000 1.00783 1.00783 15.99491 30.97376 15.99491 15.99491 15.99491 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 15.99491 1.00783 15.99491 30.97376 15.99491 15.99491 15.99491 12.00000 1.00783 1.00783 1.00783 14.00307 12.00000 12.00000 12.00000 1.00783 12.00000 14.00307 15.99491 1.00783 31.97207 12.00000 1.00783 1.00783 1.00783</array>
</list>
<scalar cmlx:templateRef="molmass" dataType="xsd:double" dictRef="cc:molmass">460.01066</scalar>
<matrix cols="3" dataType="xsd:double" dictRef="cc:moi.eigenvectors" rows="3">0.99999 -0.00172 -0.00504 0.00169 0.99997 -0.00709 0.00506 0.00708 0.99996</matrix>
<scalar dataType="xsd:string" dictRef="g:top">asymmetric</scalar>
<scalar dataType="xsd:integer" dictRef="cc:symmnumber">1</scalar>
<array cmlx:templateRef="rottemp" dataType="xsd:double" dictRef="cc:rottemp" size="3">0.00678 0.00504 0.00347</array>
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.14134 0.10502 0.07235</array>
<scalar dataType="xsd:double" dictRef="cc:zpe" units="u:jmol-1">892189.1</scalar>
<array dataType="xsd:double" dictRef="cc:vibtemp" size="132">12.81 33.07 35.78 48.95 51.81 55.87 64.38 77.64 91.49 106.58 127.05 155.75 173.16 184.66 196.64 204.56 229.20 242.85 251.06 285.08 294.08 321.39 340.27 366.68 389.12 397.78 430.02 444.16 469.05 484.77 493.66 511.14 527.26 555.15 601.30 610.13 629.36 639.93 662.99 665.33 682.33 732.27 787.71 816.67 824.15 852.32 859.94 898.52 949.18 992.76 1001.42 1045.84 1083.34 1091.94 1105.25 1119.45 1132.37 1139.76 1222.62 1270.81 1283.87 1354.90 1357.79 1466.16 1485.22 1534.63 1544.66 1550.68 1552.67 1568.49 1590.05 1604.41 1617.58 1643.66 1669.17 1685.38 1699.92 1705.22 1720.14 1730.17 1734.18 1735.35 1743.65 1747.43 1787.68 1811.36 1841.33 1847.93 1855.92 1871.65 1879.37 1923.54 1949.24 1979.00 1999.49 2010.27 2035.44 2042.67 2047.83 2097.53 2099.92 2119.55 2123.64 2130.39 2130.44 2137.01 2142.91 2145.02 2149.18 2151.16 2153.99 2190.90 2449.15 2482.50 4422.05 4426.60 4427.72 4428.84 4439.11 4456.39 4488.99 4521.94 4543.83 4544.67 4545.09 4554.70 4574.52 4593.21 4600.73 4727.24 5151.63 5182.12</array>
</list>
</property>
<property dictRef="cc:zeropoint">
<list id="l716.zeropoint">
<scalar dataType="xsd:string" dictRef="cc:zpe.correction" units="nonsi:hartree">0.339817</scalar>
<scalar dataType="xsd:string" dictRef="cc:zpe.thermalcorrener" units="nonsi:hartree">0.368804</scalar>
<scalar dataType="xsd:string" dictRef="cc:zpe.thermalcorrenthalpy" units="nonsi:hartree">0.369748</scalar>
<scalar dataType="xsd:string" dictRef="cc:zpe.thermalcorrgfe" units="nonsi:hartree">0.275014</scalar>
<scalar dataType="xsd:string" dictRef="cc:zpe.sumelectzpe" units="nonsi:hartree">-2485.633697</scalar>
<scalar dataType="xsd:string" dictRef="cc:zpe.sumelectthermal" units="nonsi:hartree">-2485.604710</scalar>
<scalar dataType="xsd:string" dictRef="cc:zpe.sumelectthermalent" units="nonsi:hartree">-2485.603765</scalar>
<scalar dataType="xsd:string" dictRef="cc:zpe.sumelectthermalfe" units="nonsi:hartree">-2485.698500</scalar>
</list>
</property>
<property>
<module cmlx:templateRef="l716.thermoprops">
<list cmlx:templateRef="total">
<scalar dataType="xsd:double" dictRef="cc:ethermo.total">231.428</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.total">103.910</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.total">199.385</scalar>
</list>
<list cmlx:templateRef="elect">
<scalar dataType="xsd:double" dictRef="cc:ethermo.elect">0.000</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.elect">0.000</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.elect">0.000</scalar>
</list>
<list cmlx:templateRef="trans">
<scalar dataType="xsd:double" dictRef="cc:ethermo.trans">0.889</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.trans">2.981</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.trans">44.267</scalar>
</list>
<list cmlx:templateRef="rot">
<scalar dataType="xsd:double" dictRef="cc:ethermo.rot">0.889</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.rot">2.981</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.rot">36.946</scalar>
</list>
<list cmlx:templateRef="vib">
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">229.651</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">97.948</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">118.172</scalar>
</list>
<list cmlx:templateRef="vibn">
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">1</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.593</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.987</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">8.242</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">2</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.593</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.985</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">6.358</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">3</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.593</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.985</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">6.202</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">4</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.594</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.983</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">5.580</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">5</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.594</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.982</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">5.467</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">6</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.594</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.981</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">5.318</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">7</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.595</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.980</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">5.037</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">8</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.596</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.976</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">4.667</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">9</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.597</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.972</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">4.343</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">10</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.599</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.966</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">4.042</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">11</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.601</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.957</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">3.697</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">12</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.606</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.943</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">3.300</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">13</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.609</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.932</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">3.095</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">14</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.611</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.925</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">2.971</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">15</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.614</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.917</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">2.850</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">16</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.616</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.911</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">2.774</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">17</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.621</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.892</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">2.558</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">18</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.625</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.881</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">2.449</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">19</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.627</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.874</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">2.387</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">20</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.637</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.842</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">2.150</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">21</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.640</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.834</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">2.093</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">22</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.649</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.805</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">1.932</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">23</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.655</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.785</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">1.829</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">24</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.665</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.755</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">1.697</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">25</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.674</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.728</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">1.593</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">26</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.678</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.717</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">1.555</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">27</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.692</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.676</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">1.423</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">28</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.698</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.657</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">1.369</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">29</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.710</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.623</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">1.280</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">30</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.718</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.602</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">1.227</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">31</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.722</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.589</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">1.198</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">32</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.731</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.564</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">1.143</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">33</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.739</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.541</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">1.095</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">34</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.755</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.500</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">1.016</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">35</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.781</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.431</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">0.899</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">36</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.786</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.418</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">0.878</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">37</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.798</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.389</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">0.835</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">38</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.804</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.372</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">0.812</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">39</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.819</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.337</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">0.764</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">40</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.820</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.333</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">0.759</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">41</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.831</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.307</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">0.726</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">42</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.864</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.230</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">0.636</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">43</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.903</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.145</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">0.549</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">44</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.924</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.101</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">0.509</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">45</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.929</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.090</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">0.499</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">46</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.950</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.048</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">0.463</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">47</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.956</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.037</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">0.454</scalar>
</list>
</list>
<list cmlx:templateRef="totalv0">
<scalar dataType="xsd:double" dictRef="cc:q.v0">0.641650e+30</scalar>
<scalar dataType="xsd:double" dictRef="cc:logq.v0">29.807298</scalar>
<scalar dataType="xsd:double" dictRef="cc:lnq.v0">68.633840</scalar>
</list>
<list cmlx:templateRef="vibv0">
<scalar dataType="xsd:double" dictRef="cc:q.vibv0">0.624746e+14</scalar>
<scalar dataType="xsd:double" dictRef="cc:logq.vibv0">13.795703</scalar>
<scalar dataType="xsd:double" dictRef="cc:lnq.vibv0">31.765781</scalar>
</list>
<list cmlx:templateRef="elect">
<scalar dataType="xsd:double" dictRef="cc:q.elect">0.100000e+01</scalar>
<scalar dataType="xsd:double" dictRef="cc:logq.elect">0.000000</scalar>
<scalar dataType="xsd:double" dictRef="cc:lnq.elect">0.000000</scalar>
</list>
<list cmlx:templateRef="trans">
<scalar dataType="xsd:double" dictRef="cc:q.trans">0.387798e+09</scalar>
<scalar dataType="xsd:double" dictRef="cc:logq.trans">8.588606</scalar>
<scalar dataType="xsd:double" dictRef="cc:lnq.trans">19.775996</scalar>
</list>
<list cmlx:templateRef="rot">
<scalar dataType="xsd:double" dictRef="cc:q.rot">0.264843e+08</scalar>
<scalar dataType="xsd:double" dictRef="cc:logq.rot">7.422989</scalar>
<scalar dataType="xsd:double" dictRef="cc:lnq.rot">17.092064</scalar>
</list>
</module>
</property>
<property dictRef="cc:forces">
<scalar dictRef="cc:linkToAtoms">./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999']</scalar>
</property>
<property dictRef="cc:multipole">
<list cmlx:templateRef="multipole">
<array dataType="xsd:double" dictRef="cc:dipole" size="3">-9.1785 -6.7281 6.7516</array>
<scalar dataType="xsd:double" dictRef="x:dipole">13.2324</scalar>
<array dataType="xsd:double" dictRef="cc:quadrupole" size="3">-300.1584 -246.7357 -224.2819</array>
<array dataType="xsd:double" dictRef="cc:quadrupole" size="3">15.1292 12.1227 -7.0977</array>
<array dataType="xsd:double" dictRef="cc:quadrupole" size="6">-43.0998 10.3230 32.7768 15.1292 12.1227 -7.0977</array>
<array dataType="xsd:double" dictRef="cc:octapole" size="10">82.1640 0.9404 62.1909 110.6180 86.0054 -15.6499 39.8308 -14.5447 10.5906 -36.3262</array>
<array dataType="xsd:double" dictRef="cc:hexadecapole" size="15">-12119.2861 -7078.3096 -2183.8772 -951.5508 364.9446 210.5777 147.3104 -40.5123 -108.3820 -3260.1266 -2505.8998 -1723.3931 203.2205 158.6337 65.1323</array>
</list>
</property>
<property dictRef="cc:virtualorbs">
<array dataType="xsd:string" delimiter="|" size="514">(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)</array>
</property>
<property dictRef="cc:occupiedorbs">
<array dataType="xsd:string" delimiter="|" size="120">(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)</array>
</property>
</propertyList>
<module dictRef="cc:userDefinedModule" id="otherComponents">
<module cmlx:templateRef="l9999.archive" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:string" dictRef="g:zmat">0</scalar>
<scalar dataType="xsd:string" dictRef="cc:electronicstate">1-A</scalar>
<scalar dataType="xsd:double" dictRef="cc:hfenergy" units="nonsi:hartree">-2485.9735135</scalar>
<scalar dataType="xsd:double" dictRef="cc:rmsd" units="nonsi:unknown">4.708E-10</scalar>
<scalar dataType="xsd:double" dictRef="cc:rmsf" units="nonsi:unknown">4.222E-6</scalar>
<scalar dataType="xsd:string" dictRef="x:ZeroPoint">0.3398169</scalar>
<scalar dataType="xsd:string" dictRef="x:Thermal">0.3688039</scalar>
<scalar dataType="xsd:string" dictRef="x:ETot">-2485.6047095</scalar>
<scalar dataType="xsd:string" dictRef="x:HTot">-2485.6037653</scalar>
<scalar dataType="xsd:string" dictRef="x:GTot">-2485.6984996</scalar>
<scalar dataType="xsd:string" dictRef="x:Quadrupole">-3.4216278,-6.9922834,10.4139112,17.02177,-21.72772,15.1330071</scalar>
<scalar dataType="xsd:string" dictRef="cc:pointgroup">C01 [X(C12H18N2O11P2S1)]</scalar>
<array dataType="xsd:double" dictRef="cc:dipole" size="3" units="nonsi:debye">2.204245 0.7649425 4.6539161</array>
<array dataType="xsd:double" dictRef="cc:dipolederiv" size="414" units="nonsi:unknown">0.587048 0.6561719 0.2381446 0.338255 0.7724592 0.1140498 0.1943615 0.2724412 0.4499618 0.2841075 -0.1918336 -0.0578918 0.0731506 0.2084235 0.2444515 -0.0574064 0.2418121 0.9727176 1.4786942 -0.2715573 0.519227 -0.5208828 0.744007 -0.2098161 0.740361 -0.0490931 1.0458975 1.059078 0.1722178 0.1866804 0.3300732 0.2414991 0.184979 0.2032359 -0.0493826 0.3900625 -0.0493317 -0.0231907 -0.0093232 -0.0643458 0.0504304 -0.032983 -0.0397803 -0.0110593 0.0004918 -0.04318 0.012978 -0.0328203 -0.0274697 0.0498894 0.0139413 -0.0962488 0.0151297 -0.1301047 -1.7713889 0.1292491 -0.3549247 0.1790603 -0.8692992 0.0357638 -0.1635958 -0.0063867 -0.6197013 0.4296742 -0.2345343 0.0278338 -0.3229544 1.2493956 -0.364655 0.1099827 -0.1549341 0.4241421 -0.0661209 -0.0778345 0.0055979 0.0044492 -0.0530767 0.0412441 -0.0153044 -0.028888 0.1096711 0.0702511 0.0474443 -0.0908644 0.0501145 0.0029879 0.0072826 -0.0490662 0.0301289 -0.1153396 -1.0681026 0.3416924 -0.3598115 0.3807721 -1.7078107 0.4793819 -0.4429513 0.6793176 -1.6087255 3.5181701 -0.1365808 0.0741042 0.0181529 3.6672542 -0.1916529 0.0036038 -0.280375 3.2994156 -1.5040009 -0.3384427 -0.2068616 -0.345758 -1.5492848 -0.1366912 -0.1611128 -0.0915876 -1.198661 -1.588112 -0.1689733 0.3719999 -0.1840232 -1.2950073 0.2194969 0.3297061 0.1910767 -1.4073972 -1.214834 0.6351575 -0.0581427 0.6233331 -1.9194511 0.1805792 -0.0055969 0.0952177 -1.0744373 0.490698 -0.1879139 0.155301 -0.2019286 0.7546042 -0.2943725 0.2699484 -0.4768416 0.6123513 0.0239083 0.1162229 0.0289722 0.1028022 -0.0350445 -0.0155938 0.0629015 -0.0560939 0.0138527 -0.0656133 -0.0949406 0.0775983 -0.0290895 -0.0040953 0.0749095 0.001516 0.1162561 0.0186751 0.0045175 -0.0219978 -0.1060662 -0.0727164 -0.0210734 -0.075714 -0.1214458 0.0244095 -0.0426077 0.0295104 -0.052647 0.0367168 -0.0162183 0.0276872 0.0167549 -0.0402625 -0.0394149 -0.1208548 0.0215603 0.1119585 -0.0374169 0.0812083 0.0048803 0.0779807 -0.0311574 0.011291 -0.074241 -0.8415336 -0.0346521 -0.0520676 -0.1306304 -0.876605 -0.2672634 0.0097423 -0.2510391 -1.3003976 0.5528569 0.1290195 -0.021809 0.1873325 0.7425265 0.0174178 -0.0452536 -0.000221 0.3823856 -1.1285515 -0.3201968 -0.1424456 -0.4531966 -2.2853442 -0.2091985 -0.1574694 -0.1932634 -0.8973617 3.3815767 0.2560795 -0.0158795 0.2732288 3.5549537 0.1107727 -0.115376 -0.0064437 3.4911244 -1.5544827 0.0116677 0.3547896 -0.0247192 -1.3651714 -0.1395215 0.4453369 -0.1049373 -1.4954008 -1.1128992 -0.0364414 -0.0199411 -0.0360473 -1.22443 0.1664752 -0.0320034 0.2478921 -1.8534426 -1.639939 -0.6254282 -0.358227 -0.5087227 -1.5685908 -0.2731468 -0.3415619 -0.3224067 -1.0032039 0.3417462 0.1481569 0.0054709 0.3591435 1.1068304 0.2168842 0.0264893 0.1443067 0.4101259 0.0994158 0.0183464 -0.0307593 -0.0453963 -0.0603679 0.0277984 -0.0148708 0.1195441 -0.0845345 -0.0941903 -0.0556677 -0.0719414 -0.003404 0.0283724 -0.0134317 -0.0645983 -0.0273765 0.089251 0.0195385 0.0612657 0.121851 -0.0381199 -0.02255 -0.0463975 0.085646 -0.0835244 -0.0335108 -1.5282275 0.7892324 1.1926222 0.5433095 -0.589102 -0.8076071 -0.4453759 -0.2402509 -1.7280509 1.7913059 -0.8081449 -0.9739411 -0.8177378 0.6795254 0.9740089 -0.649592 0.7958427 2.4932705 0.1615856 -0.2089095 -0.4906889 -0.0359046 0.1555213 0.5228744 0.4202033 0.2336309 1.6475274 -0.8719842 0.0204247 -0.9942859 0.1594314 -0.1635897 0.3484656 -0.4834413 0.112229 -0.4359018 0.1382083 0.0400551 0.0921271 0.0248434 0.1830845 -0.0288418 0.0547894 -0.0125736 0.2011951 1.915415 -0.2319439 1.289244 -0.3609255 0.6788243 0.1373945 0.8879754 0.3399367 3.3885504 -0.5650483 0.0820597 0.0733698 0.0769338 -0.4991691 -0.5332351 -0.0693684 -0.509808 -2.541002 -1.3626763 0.0124452 -1.1658997 0.1159482 -0.6363564 0.058467 -0.8258572 -0.1239049 -2.4416607 0.4136081 -0.0032637 0.0434943 -0.003279 0.3582776 -0.0490561 0.0598768 -0.0492682 0.2559571 -0.8754005 0.2998215 0.6638541 0.29376 -0.6435315 -0.4779616 0.5295714 -0.420007 -1.3879351 0.0996345 -0.0135238 -0.047188 0.0162052 0.0903073 -0.0214307 0.0298361 -0.0450872 -0.0453259 0.0972399 0.0434701 0.0889335 0.0046671 -0.0225959 0.0753694 0.05616 0.041911 -0.0809173 0.0211723 -0.0804354 0.0338568 -0.0561094 -0.0240837 -0.1336797 0.0197273 -0.0884199 -0.0093784 -0.084904 0.0839173 0.0174079 0.0634048 0.0838892 -0.0244933 -0.0722746 0.010215 0.0334675</array>
<array dataType="xsd:double" delimiter="|" dictRef="cc:polarizability" size="6" units="nonsi:unknown">360.2042143|-20.7825726|312.5438868|5.7557439|28.0899186|405.826269</array>
</module>
</module>
<molecule formalCharge="-2" id="mol9999" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="-3.06704922" y3="1.07359014" z3="0.30406892">
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.46" size="3">0.000002309 -0.000000578 -0.000000295</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.47" size="3">0.000002536 0.000003292 0.000000442</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.48" size="3">-0.000000264 0.000004408 0.000000313</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.49" size="3">0.000000005 0.000000219 0.000000204</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.50" size="3">-0.000000022 0.000006308 0.000002256</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.51" size="3">0.000000354 0.000000815 0.000000373</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.52" size="3">-0.000001813 0.000002264 0.000001287</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.53" size="3">-0.000002088 -0.000002907 0.000000581</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.54" size="3">-0.000000929 -0.000004381 -0.000000879</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.55" size="3">-0.000002306 -0.000003626 0.000000582</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.56" size="3">-0.000003380 -0.000003311 0.000001119</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.57" size="3">-0.000003544 0.000000782 0.000002683</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.58" size="3">-0.000001425 -0.000004177 0.000000222</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.59" size="3">-0.000004690 -0.000000264 0.000004124</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.60" size="3">-0.000007600 -0.000003064 0.000002438</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.61" size="3">-0.000006694 -0.000003456 0.000004570</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.62" size="3">-0.000009023 -0.000005363 0.000004774</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.63" size="3">-0.000007576 -0.000001974 0.000005470</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.64" size="3">-0.000005914 -0.000003829 0.000003096</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.65" size="3">0.000001571 -0.000001609 -0.000001578</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.66" size="3">0.000003381 0.000003541 -0.000001615</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.67" size="3">0.000003449 0.000004689 -0.000001945</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.68" size="3">0.000004914 0.000004697 -0.000002266</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.69" size="3">0.000002545 0.000000361 -0.000004745</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.70" size="3">0.000004799 -0.000001437 -0.000005437</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.71" size="3">0.000009491 0.000001703 -0.000007004</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.72" size="3">0.000006046 -0.000002449 -0.000003403</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.73" size="3">0.000008750 -0.000001348 -0.000005304</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.74" size="3">0.000009416 -0.000002880 -0.000008884</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.75" size="3">0.000010812 -0.000002824 -0.000009168</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.76" size="3">0.000010113 -0.000003421 -0.000009120</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.77" size="3">0.000011033 -0.000000239 -0.000008196</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.78" size="3">-0.000001384 0.000001239 0.000003899</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.79" size="3">0.000000443 0.000006139 0.000001328</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.80" size="3">-0.000001763 0.000001776 0.000002143</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.81" size="3">-0.000003431 -0.000000247 0.000002374</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.82" size="3">-0.000003146 -0.000001001 0.000002024</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.83" size="3">-0.000002199 0.000003579 0.000000073</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.84" size="3">-0.000001510 0.000003798 0.000003976</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.85" size="3">-0.000002472 0.000001864 0.000004169</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.86" size="3">-0.000000253 0.000006561 0.000002283</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.87" size="3">0.000002259 0.000008433 0.000001715</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.88" size="3">-0.000004996 -0.000002584 0.000002725</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.89" size="3">-0.000004023 -0.000003604 0.000001791</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.90" size="3">-0.000006486 -0.000002060 0.000004148</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.91" size="3">-0.000005293 -0.000003835 0.000002658</array>
</property>
</atom>
<atom elementType="C" id="a2" x3="-1.62366486" y3="0.89589564" z3="-0.20201108"/>
<atom elementType="C" id="a3" x3="-1.03115552" y3="2.2803091" z3="0.09007164"/>
<atom elementType="C" id="a4" x3="-3.35541274" y3="2.52364795" z3="-0.06660018"/>
<atom elementType="H" id="a5" x3="-0.31226934" y3="2.57294442" z3="-0.67546044"/>
<atom elementType="H" id="a6" x3="-3.62089552" y3="2.57808427" z3="-1.13082898"/>
<atom elementType="O" id="a7" x3="-2.0990235" y3="3.19385957" z3="0.13434704"/>
<atom elementType="C" id="a8" x3="-4.42739108" y3="3.16364755" z3="0.78560143"/>
<atom elementType="H" id="a9" x3="-5.36080185" y3="2.60539669" z3="0.65744825"/>
<atom elementType="H" id="a10" x3="-4.13731904" y3="3.14047542" z3="1.83893606"/>
<atom elementType="O" id="a11" x3="-4.62061654" y3="4.54138263" z3="0.46036582"/>
<atom elementType="P" id="a12" x3="-5.26608673" y3="4.94784382" z3="-0.98238183"/>
<atom elementType="O" id="a13" x3="-6.20473356" y3="3.86026893" z3="-1.44574788"/>
<atom elementType="O" id="a14" x3="-4.18204199" y3="5.41000889" z3="-1.92620558"/>
<atom elementType="O" id="a15" x3="-6.09450258" y3="6.23706" z3="-0.43456711"/>
<atom elementType="C" id="a16" x3="-6.58773015" y3="7.15487228" z3="-1.42065576"/>
<atom elementType="H" id="a17" x3="-7.20099738" y3="7.88339898" z3="-0.89088219"/>
<atom elementType="H" id="a18" x3="-5.75783599" y3="7.66394029" z3="-1.91736571"/>
<atom elementType="H" id="a19" x3="-7.20198334" y3="6.6349206" z3="-2.16223595"/>
<atom elementType="H" id="a20" x3="-3.09577761" y3="0.94082329" z3="1.39458963"/>
<atom elementType="H" id="a21" x3="-1.08658264" y3="0.10037111" z3="0.32421668"/>
<atom elementType="O" id="a22" x3="-1.5872964" y3="0.70265854" z3="-1.59959862"/>
<atom elementType="H" id="a23" x3="-1.93027941" y3="-0.2000353" z3="-1.75980112"/>
<atom elementType="O" id="a24" x3="-4.01847074" y3="0.23108754" z3="-0.322407"/>
<atom elementType="P" id="a25" x3="-3.8089071" y3="-1.38776378" z3="-0.20079435"/>
<atom elementType="O" id="a26" x3="-2.73214684" y3="-1.81370123" z3="-1.17792529"/>
<atom elementType="O" id="a27" x3="-3.65405132" y3="-1.78982324" z3="1.24254543"/>
<atom elementType="O" id="a28" x3="-5.27495178" y3="-1.7659074" z3="-0.77066677"/>
<atom elementType="C" id="a29" x3="-5.52838243" y3="-3.15599023" z3="-1.03134482"/>
<atom elementType="H" id="a30" x3="-5.39770504" y3="-3.74687787" z3="-0.120289"/>
<atom elementType="H" id="a31" x3="-6.56275566" y3="-3.22565009" z3="-1.36549192"/>
<atom elementType="H" id="a32" x3="-4.86162791" y3="-3.52369756" z3="-1.81561384"/>
<atom elementType="N" id="a33" x3="-0.3074191" y3="2.31086962" z3="1.39416625"/>
<atom elementType="C" id="a34" x3="0.95470349" y3="1.79751361" z3="1.44311233"/>
<atom elementType="C" id="a35" x3="-0.93207573" y3="2.80085095" z3="2.52472308"/>
<atom elementType="C" id="a36" x3="-0.35177817" y3="2.82984537" z3="3.7445146"/>
<atom elementType="H" id="a37" x3="-1.93222529" y3="3.18230297" z3="2.36450648"/>
<atom elementType="C" id="a38" x3="0.99756584" y3="2.31758777" z3="3.85846037"/>
<atom elementType="N" id="a39" x3="1.54161464" y3="1.83877251" z3="2.67523399"/>
<atom elementType="O" id="a40" x3="1.66153496" y3="2.28222077" z3="4.89711987"/>
<atom elementType="H" id="a41" x3="2.48663497" y3="1.46664464" z3="2.73424444"/>
<atom elementType="S" id="a42" x3="1.77132746" y3="1.14780378" z3="0.12731749"/>
<atom elementType="C" id="a43" x3="-1.0246526" y3="3.36785561" z3="4.96717741"/>
<atom elementType="H" id="a44" x3="-1.09346185" y3="2.59588233" z3="5.73964496"/>
<atom elementType="H" id="a45" x3="-0.45283932" y3="4.20190389" z3="5.38542144"/>
<atom elementType="H" id="a46" x3="-2.03057654" y3="3.71594755" z3="4.72623024"/>
</atomArray>
<bondArray/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">442.14772199999993</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/12C.2N.11O.2P.S.18H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;2;3;4;8;16;29;34;35;36;38;43;33;39;7;11;13;14;15;22;24;26;27;28;40;12;25;42;5;6;9;10;17;18;19;20;21;23;30;31;32;37;41;44;45;46/rA:46nC0C0C0C0H0H0O0C0H0H0O0P0O0O0O0C0H0H0H0H0H0O0H0O0P0O0O0O0C0H0H0H0N0C0C0C0H0C0N0O0H0S0C0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-3.067,1.0736,.3041;-1.6237,.8959,-.202;-1.0312,2.2803,.0901;-3.3554,2.5236,-.0666;-.3123,2.5729,-.6755;-3.6209,2.5781,-1.1308;-2.099,3.1939,.1343;-4.4274,3.1636,.7856;-5.3608,2.6054,.6574;-4.1373,3.1405,1.8389;-4.6206,4.5414,.4604;-5.2661,4.9478,-.9824;-6.2047,3.8603,-1.4457;-4.182,5.41,-1.9262;-6.0945,6.2371,-.4346;-6.5877,7.1549,-1.4207;-7.201,7.8834,-.8909;-5.7578,7.6639,-1.9174;-7.202,6.6349,-2.1622;-3.0958,.9408,1.3946;-1.0866,.1004,.3242;-1.5873,.7027,-1.5996;-1.9303,-.2,-1.7598;-4.0185,.2311,-.3224;-3.8089,-1.3878,-.2008;-2.7321,-1.8137,-1.1779;-3.6541,-1.7898,1.2425;-5.275,-1.7659,-.7707;-5.5284,-3.156,-1.0313;-5.3977,-3.7469,-.1203;-6.5628,-3.2257,-1.3655;-4.8616,-3.5237,-1.8156;-.3074,2.3109,1.3942;.9547,1.7975,1.4431;-.9321,2.8009,2.5247;-.3518,2.8298,3.7445;-1.9322,3.1823,2.3645;.9976,2.3176,3.8585;1.5416,1.8388,2.6752;1.6615,2.2822,4.8971;2.4866,1.4666,2.7342;1.7713,1.1478,.1273;-1.0247,3.3679,4.9672;-1.0935,2.5959,5.7396;-.4528,4.2019,5.3854;-2.0306,3.7159,4.7262;</scalar>
</formula>
</molecule>
</module>
</module>
</module>
</module>
