<?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-3-24</scalar>
</parameter>
<parameter dictRef="cc:jobname">
<scalar dataType="xsd:string">ASR04</scalar>
</parameter>
<parameter dictRef="cc:title">
<scalar dataType="xsd:string">Title</scalar>
</parameter>
<parameter dictRef="cc:version">
<scalar dataType="xsd:string">ES64L-G16RevC.01</scalar>
</parameter>
<parameter dictRef="cc:run.date">
<scalar dataType="xsd:string">24-Mar-2026</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">42</scalar>
</parameter>
<parameter dictRef="cc:natoms">
<scalar dataType="xsd:integer">42</scalar>
</parameter>
<parameter dictRef="cc:betae">
<scalar dataType="xsd:integer">69</scalar>
</parameter>
<parameter dictRef="cc:alphae">
<scalar dataType="xsd:integer">69</scalar>
</parameter>
<parameter dictRef="cc:basiscount">
<scalar dataType="xsd:integer">462</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">120</scalar>
</parameter>
<parameter dictRef="cc:degfreedom">
<scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">120</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C15H24O3)]</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C15H24O3)]</scalar>
</parameter>
<parameter dictRef="cc:method">
<scalar dataType="xsd:string">RB3LYP</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">rb3lyp/6-31+g(d,p)</scalar>
</parameter>
<parameter dictRef="g:keyword">
<scalar dataType="xsd:string">freq</scalar>
</parameter>
<parameter dictRef="g:keyword">
<scalar dataType="xsd:string">em=gd3</scalar>
</parameter>
<parameter dictRef="g:keyword">
<scalar dataType="xsd:string">scrf=(iefpcm,solvent=methanol)int=ultrafine</scalar>
</parameter>
</parameterList>
<molecule cmlx:templateRef="mol" formalCharge="0" id="zmat" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="-0.24787" y3="1.55299" z3="1.3153"/>
<atom elementType="C" id="a2" x3="-0.03001" y3="0.0246" z3="1.54697"/>
<atom elementType="C" id="a3" x3="-0.65728" y3="-0.84848" z3="0.41705"/>
<atom elementType="C" id="a4" x3="-0.78812" y3="1.94574" z3="-0.09602"/>
<atom elementType="C" id="a5" x3="-2.2032" y3="-0.72597" z3="0.20912"/>
<atom elementType="C" id="a6" x3="-2.29473" y3="1.78398" z3="-0.04696"/>
<atom elementType="C" id="a7" x3="-2.89275" y3="0.60473" z3="0.10606"/>
<atom elementType="H" id="a8" x3="-0.9445" y3="1.95157" z3="2.05878"/>
<atom elementType="H" id="a9" x3="0.7003" y3="2.07269" z3="1.49067"/>
<atom elementType="H" id="a10" x3="-0.39801" y3="-0.2580" z3="2.53944"/>
<atom elementType="H" id="a11" x3="-2.66073" y3="-1.24824" z3="1.05808"/>
<atom elementType="C" id="a12" x3="-0.22348" y3="1.02878" z3="-1.23438"/>
<atom elementType="H" id="a13" x3="-1.01216" y3="0.90467" z3="-1.98339"/>
<atom elementType="C" id="a14" x3="0.24618" y3="-0.36814" z3="-0.76215"/>
<atom elementType="C" id="a15" x3="1.71006" y3="-0.39308" z3="-0.16024"/>
<atom elementType="C" id="a16" x3="1.47729" y3="-0.29494" z3="1.38599"/>
<atom elementType="H" id="a17" x3="1.75342" y3="-1.22429" z3="1.88971"/>
<atom elementType="C" id="a18" x3="-0.45139" y3="-2.36289" z3="0.7493"/>
<atom elementType="H" id="a19" x3="-1.17889" y3="-2.63507" z3="1.53197"/>
<atom elementType="H" id="a20" x3="0.53183" y3="-2.55462" z3="1.17178"/>
<atom elementType="O" id="a21" x3="-0.56746" y3="-3.22334" z3="-0.3766"/>
<atom elementType="H" id="a22" x3="-1.38295" y3="-2.93504" z3="-0.82639"/>
<atom elementType="H" id="a23" x3="2.08651" y3="0.48566" z3="1.85581"/>
<atom elementType="H" id="a24" x3="0.19491" y3="-1.06122" z3="-1.6058"/>
<atom elementType="H" id="a25" x3="0.58137" y3="1.54302" z3="-1.76388"/>
<atom elementType="C" id="a26" x3="-0.44747" y3="3.41597" z3="-0.38711"/>
<atom elementType="H" id="a27" x3="-0.85669" y3="4.07451" z3="0.38735"/>
<atom elementType="H" id="a28" x3="0.63579" y3="3.56906" z3="-0.42172"/>
<atom elementType="H" id="a29" x3="-0.86413" y3="3.72886" z3="-1.3510"/>
<atom elementType="H" id="a30" x3="-3.97848" y3="0.53996" z3="0.13881"/>
<atom elementType="H" id="a31" x3="-2.90026" y3="2.68718" z3="-0.10941"/>
<atom elementType="C" id="a32" x3="2.59119" y3="0.7875" z3="-0.63157"/>
<atom elementType="H" id="a33" x3="2.64568" y3="0.80089" z3="-1.72569"/>
<atom elementType="H" id="a34" x3="2.1671" y3="1.74665" z3="-0.30769"/>
<atom elementType="O" id="a35" x3="3.94533" y3="0.68187" z3="-0.18998"/>
<atom elementType="H" id="a36" x3="3.94187" y3="0.70507" z3="0.77682"/>
<atom elementType="O" id="a37" x3="-2.61835" y3="-1.53863" z3="-0.93399"/>
<atom elementType="H" id="a38" x3="-2.42129" y3="-1.02434" z3="-1.73069"/>
<atom elementType="C" id="a39" x3="2.44208" y3="-1.68618" z3="-0.57549"/>
<atom elementType="H" id="a40" x3="2.69259" y3="-1.64758" z3="-1.64227"/>
<atom elementType="H" id="a41" x3="3.37764" y3="-1.7939" z3="-0.0210"/>
<atom elementType="H" id="a42" x3="1.82977" y3="-2.57436" z3="-0.42099"/>
</atomArray>
<bondArray/>
<formula concise="C15H24O3"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">228.1587</scalar>
</property>
<list cmlx:templateRef="charge">
<list>
<scalar dataType="xsd:integer" dictRef="g:charge">0</scalar>
<scalar dataType="xsd:integer" dictRef="g:mult">1</scalar>
</list>
</list>
<formula convention="iupac:inchi" inline="InChI=1/15C.3O.24H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;2;3;4;5;6;7;12;14;15;16;18;26;32;39;21;35;37;8;9;10;11;13;17;19;20;22;23;24;25;27;28;29;30;31;33;34;36;38;40;41;42/rA:42nC0C0C0C0C0C0C0H0H0H0H0C0H0C0C0C0H0C0H0H0O0H0H0H0H0C0H0H0H0H0H0C0H0H0O0H0O0H0C0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2479,1.553,1.3153;-.03,.0246,1.547;-.6573,-.8485,.417;-.7881,1.9457,-.096;-2.2032,-.726,.2091;-2.2947,1.784,-.047;-2.8927,.6047,.1061;-.9445,1.9516,2.0588;.7003,2.0727,1.4907;-.398,-.258,2.5394;-2.6607,-1.2482,1.0581;-.2235,1.0288,-1.2344;-1.0122,.9047,-1.9834;.2462,-.3681,-.7621;1.7101,-.3931,-.1602;1.4773,-.2949,1.386;1.7534,-1.2243,1.8897;-.4514,-2.3629,.7493;-1.1789,-2.6351,1.532;.5318,-2.5546,1.1718;-.5675,-3.2233,-.3766;-1.3829,-2.935,-.8264;2.0865,.4857,1.8558;.1949,-1.0612,-1.6058;.5814,1.543,-1.7639;-.4475,3.416,-.3871;-.8567,4.0745,.3874;.6358,3.5691,-.4217;-.8641,3.7289,-1.351;-3.9785,.54,.1388;-2.9003,2.6872,-.1094;2.5912,.7875,-.6316;2.6457,.8009,-1.7257;2.1671,1.7467,-.3077;3.9453,.6819,-.19;3.9419,.7051,.7768;-2.6183,-1.5386,-.934;-2.4213,-1.0243,-1.7307;2.4421,-1.6862,-.5755;2.6926,-1.6476,-1.6423;3.3776,-1.7939,-.021;1.8298,-2.5744,-.421;</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=conformer6.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=8GB</array>
<array dataType="xsd:string" dictRef="g:kk" size="1">nprocshared=4</array>
<scalar cmlx:templateRef="title" dataType="xsd:string" dictRef="cc:title"># opt rb3lyp/6-31+g(d,p) freq em=gd3 scrf=(iefpcm,solvent=methanol) in</scalar>
<list cmlx:templateRef="control">
<scalar dataType="xsd:string" dictRef="g:control">1/18=20,19=15,26=6,38=1/1,3</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=2201,71=1,72=3,74=-5,75=-5,116=1,124=31/1,2,3</scalar>
<scalar dataType="xsd:string" dictRef="g:control">4//1</scalar>
<scalar dataType="xsd:string" dictRef="g:control">5/5=2,38=5,53=3/2</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=6/3(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=2205,71=1,72=3,74=-5,75=-5,116=1,124=31/1,2,3</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=3/2</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=6/3(-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</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="44">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</array>
<array dataType="xsd:integer" dictRef="g:atom1" size="44">1 1 1 1 2 2 2 3 3 3 4 4 4 5 5 5 6 6 7 12 12 12 14 14 15 15 15 16 16 18 18 18 21 26 26 26 32 32 32 35 37 39 39 39</array>
<array dataType="xsd:integer" dictRef="g:atom2" size="44">2 4 8 9 3 10 16 5 14 18 6 12 26 7 11 37 7 31 30 13 14 25 15 24 16 32 39 17 23 19 20 21 22 27 28 29 33 34 35 36 38 40 41 42</array>
<array dataType="xsd:double" dictRef="cc:distance" size="44">1.5611 1.5614 1.094 1.0954 1.5596 1.0956 1.5492 1.5646 1.5612 1.564 1.5161 1.567 1.537 1.5023 1.0967 1.4627 1.331 1.0892 1.0881 1.0947 1.5476 1.0921 1.583 1.093 1.5667 1.5467 1.5428 1.0926 1.096 1.1027 1.0872 1.4218 0.9749 1.0959 1.0946 1.0957 1.0956 1.0976 1.4282 0.9671 0.9685 1.0965 1.0929 1.0898</array>
<array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="44">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="87">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 A85 A86 A87</array>
<array dataType="xsd:integer" dictRef="g:atom1" size="87">2 2 2 4 4 8 1 1 1 3 3 10 2 2 2 5 5 14 1 1 1 6 6 12 3 3 3 7 7 11 4 4 7 5 5 6 4 4 4 13 13 14 3 3 3 12 12 15 14 14 14 16 16 32 2 2 2 15 15 17 3 3 3 19 19 20 18 4 4 4 27 27 28 15 15 15 33 33 34 32 5 15 15 15 40 40 41</array>
<array dataType="xsd:integer" dictRef="g:atom2" size="87">1 1 1 1 1 1 2 2 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 7 7 7 12 12 12 12 12 12 14 14 14 14 14 14 15 15 15 15 15 15 16 16 16 16 16 16 18 18 18 18 18 18 21 26 26 26 26 26 26 32 32 32 32 32 32 35 37 39 39 39 39 39 39</array>
<array dataType="xsd:integer" dictRef="g:atom3" size="87">4 8 9 8 9 9 3 10 16 10 16 16 5 14 18 14 18 18 6 12 26 12 26 26 7 11 37 11 37 37 7 31 31 6 30 30 13 14 25 14 25 25 12 15 24 15 24 24 16 32 39 32 39 39 15 17 23 17 23 23 19 20 21 20 21 21 22 27 28 29 28 29 29 33 34 35 34 35 35 36 38 40 41 42 41 42 42</array>
<array dataType="xsd:double" dictRef="cc:angle" size="87">115.3843 110.1627 108.6594 107.5956 108.9583 105.6359 112.6079 109.883 108.802 112.1351 101.5704 111.5767 116.7326 98.1762 109.5841 116.5701 103.5393 112.4683 106.7243 112.6288 109.5791 108.612 109.1746 110.0172 122.1393 105.7847 109.9246 106.4653 107.9533 102.8252 123.0067 117.5249 119.4389 125.9043 113.7778 120.2968 107.6847 114.5752 110.0142 108.9702 104.632 110.4466 109.4248 104.0695 111.1453 114.2611 108.8206 109.0788 103.7025 113.5107 110.4644 109.7287 112.8684 106.7036 105.0718 111.9284 110.4495 111.3572 112.6492 105.5281 107.6336 111.8617 114.0176 106.0996 111.0283 105.9517 104.7539 110.9909 111.0463 110.8226 107.9302 107.9444 107.9734 109.998 110.9145 112.9208 107.6513 105.2201 109.8611 107.6935 106.8642 109.9223 110.6239 112.2305 107.5487 107.1564 109.1914</array>
<array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="87">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>
<list cmlx:templateRef="dihed">
<array dataType="xsd:string" dictRef="g:symbol" size="151">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 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 D139 D140 D141 D142 D143 D144 D145 D146 D147 D148 D149 D150 D151</array>
<array dataType="xsd:integer" dictRef="g:atom1" size="151">4 4 4 8 8 8 9 9 9 2 2 2 8 8 8 9 9 9 1 1 1 10 10 10 16 16 16 1 1 1 3 3 3 10 10 10 2 2 2 14 14 14 18 18 18 2 2 2 5 5 5 18 18 18 2 2 2 5 5 5 14 14 14 1 1 12 12 26 26 1 1 1 6 6 6 26 26 26 1 1 1 6 6 6 12 12 12 3 3 11 11 37 37 3 7 11 4 4 31 31 4 4 4 13 13 13 25 25 25 3 3 3 12 12 12 24 24 24 14 14 14 32 32 32 39 39 39 14 14 14 16 16 16 39 39 39 14 14 14 16 16 16 32 32 32 3 19 20 15 33 34</array>
<array dataType="xsd:integer" dictRef="g:atom2" size="151">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 2 2 2 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 6 6 6 6 12 12 12 12 12 12 12 12 12 14 14 14 14 14 14 14 14 14 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 18 18 18 32 32 32</array>
<array dataType="xsd:integer" dictRef="g:atom3" size="151">2 2 2 2 2 2 2 2 2 4 4 4 4 4 4 4 4 4 3 3 3 3 3 3 3 3 3 16 16 16 16 16 16 16 16 16 5 5 5 5 5 5 5 5 5 14 14 14 14 14 14 14 14 14 18 18 18 18 18 18 18 18 18 6 6 6 6 6 6 12 12 12 12 12 12 12 12 12 26 26 26 26 26 26 26 26 26 7 7 7 7 7 7 37 37 37 7 7 7 7 14 14 14 14 14 14 14 14 14 15 15 15 15 15 15 15 15 15 16 16 16 16 16 16 16 16 16 32 32 32 32 32 32 32 32 32 39 39 39 39 39 39 39 39 39 21 21 21 35 35 35</array>
<array dataType="xsd:integer" dictRef="g:atom4" size="151">3 10 16 3 10 16 3 10 16 6 12 26 6 12 26 6 12 26 5 14 18 5 14 18 5 14 18 15 17 23 15 17 23 15 17 23 7 11 37 7 11 37 7 11 37 12 15 24 12 15 24 12 15 24 19 20 21 19 20 21 19 20 21 7 31 7 31 7 31 13 14 25 13 14 25 13 14 25 27 28 29 27 28 29 27 28 29 6 30 6 30 6 30 38 38 38 5 30 5 30 3 15 24 3 15 24 3 15 24 16 32 39 16 32 39 16 32 39 2 17 23 2 17 23 2 17 23 33 34 35 33 34 35 33 34 35 40 41 42 40 41 42 40 41 42 22 22 22 36 36 36</array>
<array dataType="xsd:double" dictRef="cc:dihed" size="151">-11.2549 -137.0318 100.5405 110.7963 -14.9807 -137.4084 -133.9237 100.2993 -22.1283 83.7668 -35.3311 -158.1422 -39.6501 -158.748 78.4409 -153.7236 87.1785 -35.6326 -60.4051 64.9281 -177.6254 64.144 -170.5229 -53.0763 -176.6125 -51.2794 66.1671 -80.6692 158.3347 41.0693 38.2922 -82.7039 160.0307 157.9325 36.9364 -80.329 48.5256 -73.1725 176.4728 -66.9372 171.3646 61.01 169.0109 47.3127 -63.0419 -77.0322 45.4847 162.7581 48.4157 170.9326 -71.794 167.7621 -69.721 47.5524 76.3275 -39.8441 -160.041 -48.8959 -165.0675 74.7355 -175.5841 68.2443 -51.9526 -65.8902 112.1185 55.7858 -126.2055 175.7537 -6.2376 145.2219 23.8226 -101.3049 27.2294 -94.1698 140.7027 -92.2127 146.388 21.2606 -57.0489 63.0138 -176.9809 59.5056 179.5683 -60.4265 178.6042 -61.3331 58.6721 11.8592 -169.8205 133.2367 -48.443 -116.9423 61.378 -80.4678 54.9516 167.2439 -1.9983 179.782 -179.9706 1.8097 33.4637 -82.7473 155.0852 -87.2281 156.5608 34.3934 158.3637 42.1526 -80.0148 -22.6517 -141.6629 98.542 96.6246 -22.3866 -142.1817 -141.3493 99.6395 -20.1556 -9.561 111.8097 -129.8546 112.0164 -126.613 -8.2773 -129.1253 -7.7547 110.581 -56.9165 62.0643 -174.1235 -172.4123 -53.4315 70.3807 64.9957 -176.0235 -52.2113 71.5781 -169.7971 -47.5711 -172.8401 -54.2153 68.0107 -52.2383 66.3865 -171.3875 -47.3801 74.3962 -170.8402 -62.3857 177.6246 62.0048</array>
<array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="151">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|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">462</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">462</array>
<array dataType="xsd:string" dictRef="cc:symm" size="1">A</array>
</list>
<scalar dataType="xsd:integer" dictRef="g:primbasis">744</scalar>
<scalar dataType="xsd:integer" dictRef="cc:cartesianbasis">462</scalar>
<scalar dataType="xsd:double" dictRef="cc:nucrepener">1556.3631737697</scalar>
<scalar dataType="xsd:integer" dictRef="cc:uniqatoms">42</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 12 out of a maximum of 252</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="120">0.00230 0.00245 0.00277 0.00556 0.00664 0.00739 0.00757 0.00871 0.00891 0.01103 0.01317 0.01756 0.01861 0.02115 0.02506 0.02916 0.03097 0.03308 0.03571 0.03735 0.04253 0.04319 0.04425 0.04645 0.04769 0.04816 0.04864 0.04994 0.05093 0.05213 0.05214 0.05349 0.05455 0.05464 0.05494 0.05549 0.05639 0.05802 0.06043 0.06312 0.06769 0.07165 0.07568 0.07841 0.08276 0.08596 0.08760 0.08832 0.09036 0.09605 0.10076 0.10675 0.11168 0.11705 0.11915 0.12185 0.13002 0.14057 0.14946 0.15830 0.15888 0.15978 0.15995 0.15998 0.16001 0.16005 0.16047 0.16111 0.16186 0.17162 0.17179 0.18456 0.19216 0.20612 0.21619 0.22548 0.22712 0.23823 0.24197 0.25218 0.25611 0.25993 0.26393 0.26653 0.27597 0.28366 0.28801 0.28848 0.29839 0.30380 0.30526 0.33216 0.33924 0.34043 0.34130 0.34136 0.34154 0.34165 0.34178 0.34207 0.34231 0.34283 0.34338 0.34405 0.34489 0.34537 0.34645 0.34915 0.35033 0.35101 0.35266 0.35860 0.36743 0.38766 0.41050 0.43531 0.52366 0.53870 0.54051 0.55682</array>
</module>
<module cmlx:templateRef="rfo">
<list cmlx:templateRef="rfo">
<scalar dataType="xsd:double" dictRef="g:lambda">-6.61446920e-09</scalar>
</list>
</module>
<module cmlx:templateRef="l103.deltas">
<list cmlx:templateRef="delta">
<array dataType="xsd:string" dictRef="cc:variable" size="282">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 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 A85 A86 A87 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 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 D139 D140 D141 D142 D143 D144 D145 D146 D147 D148 D149 D150 D151</array>
<array dataType="xsd:double" dictRef="g:lastval" size="282">2.95168 2.95197 2.06783 2.06999 2.95301 2.07067 2.92825 2.95952 2.95238 2.95398 2.86400 2.96229 2.90612 2.83869 2.07131 2.77261 2.51977 2.05885 2.05659 2.06889 2.92664 2.06383 2.99667 2.06639 2.96100 2.92237 2.91751 2.06507 2.07079 2.08016 2.05235 2.70087 1.84168 2.07182 2.06892 2.07163 2.06839 2.06979 2.71316 1.82775 1.83044 2.07247 2.06645 2.06033 2.01415 1.92276 1.89551 1.87929 1.89972 1.84492 1.96641 1.91819 1.89730 1.95558 1.77365 1.94829 2.02915 1.71146 1.90368 2.04207 1.80849 1.97247 1.86031 1.96402 1.91328 1.89853 1.90436 1.92160 2.13377 1.84647 1.91946 1.85804 1.88442 1.79003 2.14718 2.05263 2.08271 2.19656 1.98771 2.09874 1.88218 2.00163 1.91840 1.89951 1.82569 1.92743 1.90685 1.81645 1.94822 1.99738 1.89413 1.90102 1.81035 1.97200 1.92691 1.92114 1.96959 1.86611 1.83324 1.95504 1.92668 1.94231 1.96695 1.84234 1.88209 1.95740 1.99632 1.85719 1.92441 1.84189 1.84993 1.93602 1.93865 1.93299 1.88427 1.88472 1.88517 1.92315 1.94030 1.97517 1.88640 1.82967 1.90416 1.90053 1.88457 1.92098 1.93250 1.95780 1.88015 1.87243 1.89737 -0.19073 -2.38498 1.76115 1.94158 -0.25267 -2.38972 -2.32862 1.76032 -0.37674 1.46096 -0.61871 -2.76338 -0.69445 -2.77412 1.36440 -2.68658 1.51693 -0.62774 -1.06019 1.13080 -3.09597 1.11369 -2.97851 -0.92209 -3.08742 -0.89643 1.15998 -1.40657 2.76588 0.71826 0.67063 -1.44011 2.79546 2.75788 0.64714 -1.40047 0.84998 -1.27551 3.08643 -1.16186 2.99583 1.07459 2.93799 0.81250 -1.10874 -1.34750 0.79304 2.84070 0.83433 2.97487 -1.26066 2.93285 -1.20979 0.83787 1.31109 -0.72803 -2.82466 -0.86073 -2.89985 1.28671 -3.08817 1.15589 -0.94073 -1.14976 1.95230 0.97206 -2.20906 3.06871 -0.11240 2.53053 0.41150 -1.77215 0.47328 -1.64574 2.45379 -1.61266 2.55150 0.36785 -0.99659 1.09916 -3.08917 1.03461 3.13036 -1.05796 3.11700 -1.07044 1.02443 0.20582 -2.95553 2.32588 -0.83547 -2.04574 1.07609 -1.44961 0.91765 2.87544 -0.03597 3.12654 -3.13739 0.02512 0.59187 -1.43643 2.71979 -1.51764 2.73724 0.61027 2.77079 0.74249 -1.38448 -0.39476 -2.47466 1.71977 1.68512 -0.39478 -2.48353 -2.47487 1.72842 -0.36033 -0.16887 1.95022 -2.26723 1.94557 -2.21853 -0.15279 -2.25447 -0.13538 1.93035 -1.00191 1.08909 -3.04400 -3.01655 -0.92555 1.22454 1.12148 -3.07070 -0.92061 1.24620 -2.96014 -0.83712 -3.02008 -0.94324 1.17978 -0.90538 1.17146 -2.98871 -0.80955 1.31485 -2.96945 -1.11162 3.07525 1.05830</array>
<array dataType="xsd:double" dictRef="cc:deriv" size="282">0.00001 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 -0.00001 -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 -0.00000 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 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00002 -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 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 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 0.00001 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 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -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</array>
<array dataType="xsd:double" dictRef="cc:delta.linear" size="282">0.00001 0.00000 -0.00000 -0.00000 -0.00002 0.00000 0.00001 -0.00001 0.00001 -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 0.00001 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00001 -0.00001 0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00002 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00001 -0.00001 0.00001 -0.00000 -0.00000 -0.00000 0.00004 -0.00000 -0.00003 -0.00000 0.00001 0.00000 -0.00002 0.00000 0.00001 -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 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00001 -0.00001 0.00001 -0.00000 -0.00000 0.00001 -0.00001 -0.00001 -0.00000 0.00003 -0.00001 -0.00001 -0.00001 0.00002 -0.00001 0.00001 -0.00001 -0.00000 -0.00000 -0.00000 0.00001 -0.00002 0.00000 0.00001 -0.00002 -0.00001 -0.00000 0.00001 0.00001 0.00002 0.00003 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00001 0.00001 0.00001 -0.00000 -0.00001 0.00003 0.00001 0.00001 -0.00001 -0.00001 0.00001 0.00001 -0.00001 0.00003 0.00003 0.00002 0.00001 0.00002 -0.00000 0.00001 0.00002 0.00000 -0.00002 -0.00002 -0.00002 -0.00001 -0.00001 -0.00001 -0.00001 -0.00000 -0.00001 -0.00002 -0.00001 -0.00002 -0.00003 -0.00002 -0.00003 -0.00005 -0.00004 -0.00005 0.00006 0.00009 0.00007 0.00006 0.00009 0.00007 0.00005 0.00007 0.00005 -0.00000 -0.00001 0.00000 -0.00002 -0.00003 -0.00001 -0.00002 -0.00003 -0.00002 -0.00002 0.00000 -0.00001 -0.00000 0.00002 0.00001 0.00001 0.00003 0.00002 -0.00004 -0.00003 -0.00004 -0.00004 -0.00004 -0.00005 -0.00005 -0.00004 -0.00005 -0.00001 0.00001 -0.00001 0.00000 -0.00001 0.00000 -0.00003 -0.00001 -0.00003 -0.00003 -0.00001 -0.00003 -0.00002 -0.00001 -0.00002 -0.00001 -0.00001 -0.00000 -0.00000 -0.00000 0.00000 -0.00001 -0.00001 -0.00001 0.00001 0.00002 0.00002 0.00002 0.00001 0.00001 0.00007 0.00007 0.00007 0.00001 0.00000 -0.00001 -0.00002 0.00002 0.00002 0.00001 0.00004 0.00004 0.00003 0.00004 0.00004 0.00003 0.00004 0.00003 0.00002 0.00005 0.00003 0.00002 0.00005 0.00004 0.00003 -0.00006 -0.00007 -0.00007 -0.00004 -0.00005 -0.00005 -0.00004 -0.00005 -0.00005 -0.00002 -0.00001 -0.00003 -0.00003 -0.00002 -0.00004 -0.00002 -0.00002 -0.00003 -0.00000 0.00001 -0.00002 -0.00003 -0.00002 -0.00004 -0.00002 -0.00001 -0.00003 -0.00002 -0.00004 -0.00002 -0.00010 -0.00011 -0.00011</array>
<array dataType="xsd:double" dictRef="cc:delta.quad" size="282">0.00001 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00001 0.00000 -0.00001 0.00002 0.00000 -0.00000 -0.00000 0.00001 0.00000 -0.00003 -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 0.00001 -0.00003 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 0.00001 0.00000 -0.00000 -0.00000 -0.00001 0.00001 0.00001 -0.00001 0.00000 -0.00001 0.00001 -0.00001 0.00000 0.00001 -0.00000 -0.00001 0.00001 -0.00001 0.00001 -0.00002 0.00001 0.00002 0.00002 0.00001 -0.00003 0.00001 -0.00000 -0.00001 0.00001 0.00001 -0.00001 -0.00001 -0.00002 0.00003 -0.00003 0.00003 0.00001 0.00000 -0.00000 -0.00000 0.00001 -0.00001 -0.00001 0.00002 0.00000 -0.00002 -0.00001 0.00001 -0.00000 0.00002 -0.00002 0.00001 -0.00002 0.00000 -0.00000 0.00001 -0.00007 0.00002 0.00001 0.00000 0.00002 0.00000 -0.00001 -0.00000 0.00001 0.00000 0.00000 0.00001 0.00001 -0.00003 -0.00000 0.00001 -0.00001 -0.00003 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00003 -0.00002 -0.00001 0.00000 0.00002 0.00003 -0.00003 -0.00000 0.00000 -0.00000 0.00002 0.00000 -0.00000 -0.00002 0.00000 -0.00001 -0.00001 0.00002 0.00000 0.00000 0.00002 0.00000 0.00000 -0.00001 -0.00002 -0.00000 -0.00002 -0.00003 -0.00001 -0.00002 -0.00004 -0.00002 -0.00003 -0.00001 -0.00004 -0.00002 -0.00000 -0.00003 -0.00001 0.00001 -0.00002 -0.00004 -0.00004 -0.00003 -0.00004 -0.00004 -0.00004 -0.00003 -0.00003 -0.00003 0.00006 0.00012 0.00011 0.00005 0.00011 0.00010 0.00008 0.00014 0.00013 0.00004 0.00002 0.00002 0.00003 0.00001 0.00000 0.00002 0.00000 -0.00001 -0.00001 -0.00002 -0.00001 -0.00000 -0.00001 0.00000 -0.00000 -0.00001 0.00000 0.00003 -0.00003 0.00003 -0.00002 0.00003 -0.00002 0.00006 0.00005 0.00007 0.00005 0.00004 0.00006 0.00004 0.00003 0.00005 0.00001 0.00001 0.00001 0.00002 0.00001 0.00001 0.00003 0.00002 0.00002 -0.00004 -0.00001 -0.00011 -0.00007 -0.00010 -0.00007 0.00021 0.00024 0.00022 -0.00001 -0.00004 0.00005 0.00001 -0.00006 -0.00004 -0.00003 -0.00008 -0.00007 -0.00005 -0.00008 -0.00007 -0.00006 -0.00004 -0.00003 -0.00002 -0.00003 -0.00002 -0.00001 -0.00004 -0.00003 -0.00002 0.00004 0.00004 0.00005 -0.00002 -0.00003 -0.00002 0.00001 0.00000 0.00001 -0.00001 -0.00003 -0.00001 0.00001 -0.00001 0.00001 -0.00001 -0.00003 -0.00001 -0.00008 -0.00008 -0.00009 -0.00005 -0.00005 -0.00006 -0.00002 -0.00002 -0.00003 -0.00016 -0.00015 -0.00015 -0.00007 -0.00005 -0.00008</array>
<array dataType="xsd:double" dictRef="cc:delta.total" size="282">0.00002 0.00000 -0.00000 -0.00000 -0.00002 0.00000 -0.00000 -0.00000 -0.00000 0.00001 0.00001 0.00000 -0.00000 0.00001 -0.00000 -0.00004 0.00000 -0.00000 -0.00000 -0.00000 -0.00001 0.00001 -0.00003 0.00000 -0.00001 0.00001 -0.00000 0.00000 -0.00001 -0.00000 0.00000 -0.00002 -0.00002 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00002 -0.00000 -0.00000 -0.00001 0.00000 0.00001 -0.00001 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00001 -0.00000 0.00002 0.00001 -0.00003 0.00000 -0.00001 0.00001 0.00000 0.00002 0.00001 -0.00004 0.00001 -0.00001 -0.00000 0.00000 0.00000 -0.00001 -0.00002 -0.00002 0.00002 -0.00002 0.00004 -0.00001 0.00001 -0.00000 -0.00001 0.00001 -0.00000 -0.00000 0.00001 -0.00000 -0.00001 -0.00001 0.00001 0.00001 0.00002 -0.00002 0.00001 0.00001 -0.00000 -0.00001 0.00001 -0.00004 0.00001 0.00002 -0.00001 0.00001 0.00000 -0.00001 0.00000 -0.00001 0.00001 0.00001 -0.00001 0.00000 -0.00003 0.00001 0.00002 0.00001 0.00001 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00002 -0.00003 0.00000 0.00001 0.00002 0.00002 -0.00000 0.00001 0.00001 -0.00001 0.00002 0.00001 0.00001 -0.00003 0.00003 0.00002 0.00000 0.00003 0.00002 0.00000 0.00003 0.00002 0.00001 -0.00003 -0.00004 -0.00003 -0.00003 -0.00004 -0.00002 -0.00003 -0.00004 -0.00002 -0.00005 -0.00002 -0.00006 -0.00005 -0.00002 -0.00006 -0.00006 -0.00003 -0.00007 0.00003 0.00005 0.00004 0.00003 0.00004 0.00004 0.00002 0.00003 0.00003 0.00005 0.00011 0.00012 0.00003 0.00009 0.00009 0.00006 0.00011 0.00012 0.00002 0.00003 0.00001 0.00003 0.00003 0.00002 0.00003 0.00003 0.00002 -0.00005 -0.00005 -0.00005 -0.00005 -0.00005 -0.00004 -0.00005 -0.00006 -0.00005 0.00002 -0.00002 0.00002 -0.00002 0.00002 -0.00002 0.00003 0.00004 0.00004 0.00002 0.00003 0.00003 0.00002 0.00003 0.00003 0.00000 0.00000 0.00000 0.00002 0.00001 0.00002 0.00002 0.00002 0.00002 -0.00003 0.00000 -0.00009 -0.00005 -0.00009 -0.00005 0.00028 0.00030 0.00029 -0.00000 -0.00004 0.00004 -0.00000 -0.00004 -0.00003 -0.00002 -0.00004 -0.00003 -0.00002 -0.00004 -0.00003 -0.00003 0.00000 0.00000 0.00000 0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 -0.00002 -0.00004 -0.00003 -0.00006 -0.00007 -0.00007 -0.00003 -0.00005 -0.00004 -0.00003 -0.00005 -0.00004 -0.00002 -0.00004 -0.00003 -0.00003 -0.00005 -0.00004 -0.00008 -0.00007 -0.00011 -0.00007 -0.00006 -0.00010 -0.00004 -0.00003 -0.00007 -0.00018 -0.00020 -0.00017 -0.00017 -0.00016 -0.00019</array>
<array dataType="xsd:double" dictRef="cc:newval" size="282">2.95170 2.95198 2.06783 2.06999 2.95299 2.07067 2.92825 2.95951 2.95238 2.95399 2.86402 2.96229 2.90612 2.83871 2.07131 2.77258 2.51977 2.05885 2.05659 2.06889 2.92663 2.06383 2.99664 2.06639 2.96100 2.92238 2.91751 2.06507 2.07079 2.08016 2.05236 2.70085 1.84166 2.07182 2.06892 2.07163 2.06838 2.06979 2.71315 1.82775 1.83043 2.07245 2.06645 2.06034 2.01414 1.92277 1.89552 1.87928 1.89972 1.84493 1.96642 1.91819 1.89732 1.95559 1.77362 1.94829 2.02914 1.71147 1.90368 2.04208 1.80850 1.97244 1.86032 1.96402 1.91328 1.89853 1.90437 1.92159 2.13375 1.84645 1.91948 1.85802 1.88446 1.79002 2.14719 2.05263 2.08270 2.19657 1.98771 2.09873 1.88218 2.00162 1.91840 1.89950 1.82570 1.92744 1.90687 1.81643 1.94822 1.99739 1.89413 1.90102 1.81036 1.97196 1.92692 1.92116 1.96959 1.86613 1.83325 1.95503 1.92669 1.94230 1.96696 1.84235 1.88209 1.95741 1.99629 1.85720 1.92443 1.84190 1.84994 1.93602 1.93865 1.93299 1.88426 1.88472 1.88517 1.92313 1.94027 1.97517 1.88642 1.82969 1.90419 1.90053 1.88458 1.92098 1.93249 1.95781 1.88017 1.87244 1.89734 -0.19070 -2.38496 1.76115 1.94161 -0.25265 -2.38972 -2.32859 1.76034 -0.37673 1.46093 -0.61875 -2.76340 -0.69448 -2.77416 1.36437 -2.68661 1.51689 -0.62776 -1.06023 1.13078 -3.09603 1.11365 -2.97853 -0.92215 -3.08748 -0.89647 1.15991 -1.40654 2.76592 0.71830 0.67065 -1.44006 2.79550 2.75789 0.64718 -1.40044 0.85003 -1.27540 3.08655 -1.16184 2.99592 1.07469 2.93805 0.81262 -1.10862 -1.34748 0.79307 2.84071 0.83436 2.97490 -1.26064 2.93288 -1.20976 0.83789 1.31104 -0.72809 -2.82471 -0.86078 -2.89990 1.28666 -3.08822 1.15584 -0.94078 -1.14974 1.95229 0.97208 -2.20908 3.06873 -0.11242 2.53056 0.41155 -1.77211 0.47331 -1.64571 2.45382 -1.61264 2.55153 0.36787 -0.99659 1.09916 -3.08916 1.03463 3.13037 -1.05795 3.11702 -1.07042 1.02445 0.20579 -2.95553 2.32579 -0.83553 -2.04583 1.07604 -1.44934 0.91795 2.87573 -0.03597 3.12650 -3.13735 0.02512 0.59183 -1.43646 2.71976 -1.51768 2.73722 0.61025 2.77074 0.74245 -1.38451 -0.39476 -2.47466 1.71977 1.68514 -0.39476 -2.48351 -2.47486 1.72843 -0.36032 -0.16889 1.95018 -2.26726 1.94551 -2.21860 -0.15286 -2.25450 -0.13543 1.93032 -1.00193 1.08905 -3.04403 -3.01657 -0.92559 1.22452 1.12145 -3.07075 -0.92065 1.24612 -2.96021 -0.83723 -3.02016 -0.94330 1.17968 -0.90542 1.17143 -2.98877 -0.80973 1.31465 -2.96962 -1.11180 3.07510 1.05810</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">0.000016 0.000002 0.000502 0.000065</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">-6.690819e-09</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="44">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</array>
<array dataType="xsd:integer" dictRef="g:atom1" size="44">1 1 1 1 2 2 2 3 3 3 4 4 4 5 5 5 6 6 7 12 12 12 14 14 15 15 15 16 16 18 18 18 21 26 26 26 32 32 32 35 37 39 39 39</array>
<array dataType="xsd:integer" dictRef="g:atom2" size="44">2 4 8 9 3 10 16 5 14 18 6 12 26 7 11 37 7 31 30 13 14 25 15 24 16 32 39 17 23 19 20 21 22 27 28 29 33 34 35 36 38 40 41 42</array>
<array dataType="xsd:double" dictRef="cc:distance" size="44">1.562 1.5621 1.0942 1.0954 1.5627 1.0958 1.5496 1.5661 1.5623 1.5632 1.5156 1.5676 1.5379 1.5022 1.0961 1.4672 1.3334 1.0895 1.0883 1.0948 1.5487 1.0921 1.5858 1.0935 1.5669 1.5465 1.5439 1.0928 1.0958 1.1008 1.0861 1.4292 0.9746 1.0964 1.0948 1.0963 1.0945 1.0953 1.4357 0.9672 0.9686 1.0967 1.0935 1.0903</array>
<array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="44">-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-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="87">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 A85 A86 A87</array>
<array dataType="xsd:integer" dictRef="g:atom1" size="87">2 2 2 4 4 8 1 1 1 3 3 10 2 2 2 5 5 14 1 1 1 6 6 12 3 3 3 7 7 11 4 4 7 5 5 6 4 4 4 13 13 14 3 3 3 12 12 15 14 14 14 16 16 32 2 2 2 15 15 17 3 3 3 19 19 20 18 4 4 4 27 27 28 15 15 15 33 33 34 32 5 15 15 15 40 40 41</array>
<array dataType="xsd:integer" dictRef="g:atom2" size="87">1 1 1 1 1 1 2 2 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 7 7 7 12 12 12 12 12 12 14 14 14 14 14 14 15 15 15 15 15 15 16 16 16 16 16 16 18 18 18 18 18 18 21 26 26 26 26 26 26 32 32 32 32 32 32 35 37 39 39 39 39 39 39</array>
<array dataType="xsd:integer" dictRef="g:atom3" size="87">4 8 9 8 9 9 3 10 16 10 16 16 5 14 18 14 18 18 6 12 26 12 26 26 7 11 37 11 37 37 7 31 31 6 30 30 13 14 25 14 25 25 12 15 24 15 24 24 16 32 39 32 39 39 15 17 23 17 23 23 19 20 21 20 21 21 22 27 28 29 28 29 29 33 34 35 34 35 35 36 38 40 41 42 41 42 42</array>
<array dataType="xsd:double" dictRef="cc:angle" size="87">115.4023 110.1662 108.605 107.6751 108.8459 105.7063 112.667 109.9042 108.7072 112.0466 101.6226 111.6288 116.2617 98.0595 109.073 117.0017 103.6191 113.0143 106.5879 112.5303 109.6229 108.7775 109.1119 110.0995 122.2561 105.7949 109.977 106.4579 107.9693 102.5611 123.0246 117.6069 119.3303 125.8539 113.8877 120.2488 107.8408 114.6847 109.9165 108.8341 104.6044 110.4337 109.2545 104.0748 111.6247 114.4414 108.5256 108.9207 103.7254 112.9873 110.404 110.073 112.8494 106.9202 105.0372 112.0154 110.3909 111.2859 112.6981 105.5582 107.8361 112.151 114.3806 106.4091 110.2604 105.5324 105.9935 110.9259 111.0762 110.7521 107.9605 107.9866 108.0121 110.1885 111.1709 113.1688 108.083 104.8326 109.1005 108.8924 107.978 110.0638 110.724 112.1734 107.7249 107.2824 108.7112</array>
<array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="87">-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-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="150">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 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 D139 D140 D141 D142 D143 D144 D145 D146 D147 D148 D149 D150</array>
<array dataType="xsd:integer" dictRef="g:atom1" size="150">4 4 4 8 8 8 9 9 9 2 2 2 8 8 8 9 9 9 1 1 1 10 10 10 16 16 16 1 1 1 3 3 3 10 10 10 2 2 2 14 14 14 18 18 18 2 2 2 5 5 5 18 18 18 2 2 2 5 5 5 14 14 14 1 1 12 12 26 26 1 1 1 6 6 6 26 26 26 1 1 1 6 6 6 12 12 12 3 3 11 11 37 37 3 7 11 4 4 31 31 4 4 4 13 13 13 25 25 25 3 3 3 12 12 12 24 24 24 14 14 14 32 32 32 39 39 39 14 14 14 16 16 16 39 39 39 14 14 14 16 16 16 32 32 32 3 19 20 15 33</array>
<array dataType="xsd:integer" dictRef="g:atom2" size="150">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 2 2 2 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 6 6 6 6 12 12 12 12 12 12 12 12 12 14 14 14 14 14 14 14 14 14 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 18 18 18 32 32</array>
<array dataType="xsd:integer" dictRef="g:atom3" size="150">2 2 2 2 2 2 2 2 2 4 4 4 4 4 4 4 4 4 3 3 3 3 3 3 3 3 3 16 16 16 16 16 16 16 16 16 5 5 5 5 5 5 5 5 5 14 14 14 14 14 14 14 14 14 18 18 18 18 18 18 18 18 18 6 6 6 6 6 6 12 12 12 12 12 12 12 12 12 26 26 26 26 26 26 26 26 26 7 7 7 7 7 7 37 37 37 7 7 7 7 14 14 14 14 14 14 14 14 14 15 15 15 15 15 15 15 15 15 16 16 16 16 16 16 16 16 16 32 32 32 32 32 32 32 32 32 39 39 39 39 39 39 39 39 39 21 21 21 35 35</array>
<array dataType="xsd:integer" dictRef="g:atom4" size="150">3 10 16 3 10 16 3 10 16 6 12 26 6 12 26 6 12 26 5 14 18 5 14 18 5 14 18 15 17 23 15 17 23 15 17 23 7 11 37 7 11 37 7 11 37 12 15 24 12 15 24 12 15 24 19 20 21 19 20 21 19 20 21 7 31 7 31 7 31 13 14 25 13 14 25 13 14 25 27 28 29 27 28 29 27 28 29 6 30 6 30 6 30 38 38 38 5 30 5 30 3 15 24 3 15 24 3 15 24 16 32 39 16 32 39 16 32 39 2 17 23 2 17 23 2 17 23 33 34 35 33 34 35 33 34 35 40 41 42 40 41 42 40 41 42 22 22 22 36 36</array>
<array dataType="xsd:double" dictRef="cc:dihed" size="150">-10.9281 -136.6493 100.9062 111.2445 -14.4767 -136.9211 -133.4199 100.859 -21.5855 83.7071 -35.4493 -158.3298 -39.7889 -158.9454 78.1741 -153.9297 86.9139 -35.9666 -60.7441 64.7901 -177.386 63.8099 -170.6559 -52.832 -176.8961 -51.3619 66.462 -80.5907 158.4732 41.1536 38.4241 -82.512 160.1683 158.0147 37.0786 -80.2411 48.7 -73.0815 176.8395 -66.5699 171.6486 61.5696 168.3345 46.5529 -63.526 -77.2062 45.4379 162.7602 47.8034 170.4475 -72.2302 168.0401 -69.3158 48.0065 75.1197 -41.7133 -161.8411 -49.3163 -166.1493 73.7229 -176.9392 66.2278 -53.9 -65.8767 111.8588 55.6949 -126.5696 175.8244 -6.4402 144.9886 23.5774 -101.5367 27.1171 -94.294 140.5918 -92.3986 146.1902 21.0761 -57.1004 62.9771 -176.9961 59.279 179.3564 -60.6168 178.5912 -61.3314 58.6954 11.7929 -169.3394 133.2631 -47.8692 -117.2122 61.6554 -83.0568 52.5776 164.7507 -2.0609 179.1377 -179.7591 1.4394 33.9118 -82.3013 155.8323 -86.9544 156.8325 34.9662 158.7544 42.5413 -79.3251 -22.6183 -141.7878 98.5355 96.5505 -22.619 -142.2957 -141.7995 99.0311 -20.6457 -9.6754 111.7393 -129.9027 111.473 -127.1123 -8.7543 -129.1716 -7.7569 110.6011 -57.4049 62.4004 -174.4082 -172.8356 -53.0302 70.1612 64.2563 -175.9383 -52.7469 71.4022 -169.6034 -47.9636 -173.038 -54.0436 67.5962 -51.8744 67.1199 -171.2402 -46.3838 75.3352 -170.1372 -63.6913 176.1991</array>
<array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="150">-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-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="0" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="-0.247866" y3="1.552992" z3="1.315295">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a2" x3="-0.030006" y3="0.024603" z3="1.546967">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="-0.657282" y3="-0.848483" z3="0.417051">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="-0.788124" y3="1.945741" z3="-0.09602">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a5" x3="-2.203201" y3="-0.725974" z3="0.209121">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a6" x3="-2.294733" y3="1.783976" z3="-0.046964">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a7" x3="-2.892751" y3="0.604725" z3="0.106063">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a8" x3="-0.944499" y3="1.951569" z3="2.058782">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a9" x3="0.700302" y3="2.072695" z3="1.490668">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a10" x3="-0.398014" y3="-0.258003" z3="2.539439">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a11" x3="-2.660726" y3="-1.248243" z3="1.058077">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a12" x3="-0.223477" y3="1.028783" z3="-1.234378">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a13" x3="-1.012165" y3="0.904668" z3="-1.983386">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a14" x3="0.246182" y3="-0.368138" z3="-0.762151">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a15" x3="1.710063" y3="-0.39308" z3="-0.160238">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a16" x3="1.477289" y3="-0.294936" z3="1.385989">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a17" x3="1.753419" y3="-1.224289" z3="1.889711">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a18" x3="-0.451386" y3="-2.362889" z3="0.749301">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a19" x3="-1.178887" y3="-2.635068" z3="1.53197">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a20" x3="0.531833" y3="-2.554623" z3="1.171784">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a21" x3="-0.567455" y3="-3.223342" z3="-0.376595">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a22" x3="-1.382953" y3="-2.935042" z3="-0.826386">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a23" x3="2.086511" y3="0.485661" z3="1.855807">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a24" x3="0.194912" y3="-1.06122" z3="-1.605804">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a25" x3="0.58137" y3="1.543018" z3="-1.763877">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a26" x3="-0.44747" y3="3.415971" z3="-0.38711">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a27" x3="-0.856685" y3="4.074509" z3="0.38735">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a28" x3="0.635788" y3="3.569061" z3="-0.421722">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a29" x3="-0.864126" y3="3.728857" z3="-1.350997">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a30" x3="-3.978475" y3="0.539956" z3="0.138811">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a31" x3="-2.900255" y3="2.687184" z3="-0.109408">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a32" x3="2.591194" y3="0.787499" z3="-0.631565">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a33" x3="2.645679" y3="0.800886" z3="-1.725691">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a34" x3="2.167098" y3="1.746653" z3="-0.307693">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a35" x3="3.945331" y3="0.681865" z3="-0.189983">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a36" x3="3.941872" y3="0.705073" z3="0.776821">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a37" x3="-2.618347" y3="-1.538625" z3="-0.933991">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a38" x3="-2.421292" y3="-1.02434" z3="-1.730692">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a39" x3="2.442079" y3="-1.686176" z3="-0.575485">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a40" x3="2.692588" y3="-1.647575" z3="-1.642265">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a41" x3="3.377637" y3="-1.793904" z3="-0.021003">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a42" x3="1.829766" y3="-2.574358" z3="-0.420991">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C15H24O3"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">228.1587</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/15C.3O.24H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;2;3;4;5;6;7;12;14;15;16;18;26;32;39;21;35;37;8;9;10;11;13;17;19;20;22;23;24;25;27;28;29;30;31;33;34;36;38;40;41;42/rA:42nC0C0C0C0C0C0C0H0H0H0H0C0H0C0C0C0H0C0H0H0O0H0H0H0H0C0H0H0H0H0H0C0H0H0O0H0O0H0C0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2479,1.553,1.3153;-.03,.0246,1.547;-.6573,-.8485,.4171;-.7881,1.9457,-.096;-2.2032,-.726,.2091;-2.2947,1.784,-.047;-2.8928,.6047,.1061;-.9445,1.9516,2.0588;.7003,2.0727,1.4907;-.398,-.258,2.5394;-2.6607,-1.2482,1.0581;-.2235,1.0288,-1.2344;-1.0122,.9047,-1.9834;.2462,-.3681,-.7622;1.7101,-.3931,-.1602;1.4773,-.2949,1.386;1.7534,-1.2243,1.8897;-.4514,-2.3629,.7493;-1.1789,-2.6351,1.532;.5318,-2.5546,1.1718;-.5675,-3.2233,-.3766;-1.383,-2.935,-.8264;2.0865,.4857,1.8558;.1949,-1.0612,-1.6058;.5814,1.543,-1.7639;-.4475,3.416,-.3871;-.8567,4.0745,.3874;.6358,3.5691,-.4217;-.8641,3.7289,-1.351;-3.9785,.54,.1388;-2.9003,2.6872,-.1094;2.5912,.7875,-.6316;2.6457,.8009,-1.7257;2.1671,1.7467,-.3077;3.9453,.6819,-.19;3.9419,.7051,.7768;-2.6183,-1.5386,-.934;-2.4213,-1.0243,-1.7307;2.4421,-1.6862,-.5755;2.6926,-1.6476,-1.6423;3.3776,-1.7939,-.021;1.8298,-2.5744,-.421;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.distmat">
<array dataType="xsd:double" dictRef="cc:distance" size="903">0.000000 1.561124 0.000000 2.596449 1.559636 0.000000 1.561391 2.639114 2.843950 0.000000 3.200100 2.660070 1.564643 3.038686 0.000000 2.469568 3.281006 3.134708 1.516062 2.524640 0.000000 3.058900 3.257001 2.684371 2.503720 1.502285 1.331043 0.000000 1.094045 2.193502 3.258537 2.160477 3.489242 2.507067 3.069656 0.000000 1.095386 2.175132 3.395434 2.179245 4.231458 3.379039 4.120934 1.744361 0.000000 2.191067 1.095581 2.218201 3.457502 2.984641 3.802197 3.590171 2.326346 2.781793 0.000000 3.706072 2.963079 2.141147 3.878158 1.096732 3.247987 2.096105 3.766383 4.744710 2.880082 0.000000 2.603118 2.963391 2.537623 1.567003 3.013664 2.504071 3.016891 3.495184 3.060882 3.990987 4.047268 0.000000 3.447575 3.768626 2.993590 2.167067 2.980713 2.483524 2.827077 4.176087 4.045477 4.710088 4.074712 1.094736 0.000000 2.872387 2.358506 1.561248 2.620602 2.659115 3.405780 3.398994 3.841409 3.352474 3.365652 3.540894 1.547568 2.166769 0.000000 3.130157 2.473226 2.478906 3.422740 3.944728 4.559692 4.717248 4.179489 3.134510 3.427899 4.617293 2.629458 3.523995 1.582994 0.000000 2.529031 1.549180 2.408661 3.514126 3.888035 4.539095 4.641643 3.371126 2.494062 2.201947 4.259048 3.392810 4.357651 2.476992 1.566727 0.000000 3.471078 2.204044 2.849813 4.522351 4.327533 5.402583 5.302225 4.170542 3.484020 2.446328 4.491867 4.329478 5.213616 3.168143 2.212483 1.092557 0.000000 3.961804 2.552244 1.564036 4.403664 2.457670 4.607435 3.896248 4.535686 4.642243 2.763691 2.493785 3.935780 4.296392 2.598099 3.062559 2.898549 2.730954 0.000000 4.295765 2.897240 2.169563 4.877177 2.538462 4.823494 3.932785 4.622738 5.069131 2.697257 2.084156 4.689274 4.991518 3.526015 4.029406 3.542993 3.273636 1.102683 0.000000 4.183423 2.666239 2.212358 4.858281 3.427986 5.319611 4.779646 4.824115 4.641351 2.830116 3.451375 4.381884 4.930083 2.932988 2.799067 2.458853 1.943574 1.087186 1.750077 0.000000 5.077204 3.812885 2.505573 5.181393 3.042298 5.307107 4.504893 5.731747 5.756899 4.162355 3.215755 4.351400 4.451967 2.993802 3.639269 3.982869 3.810356 1.421792 2.088668 2.013230 0.000000 5.100752 4.027750 2.535047 4.970845 2.573920 4.869083 3.959659 5.691696 5.897976 4.411963 2.833584 4.150030 4.027345 3.040921 4.058580 4.477248 4.487838 1.917802 2.386099 2.793530 0.974918 0.000000 2.623102 2.188059 3.373182 3.768951 4.751975 4.949895 5.279094 3.372997 2.138593 2.682024 5.116547 3.896187 4.951440 3.312022 2.231219 1.095998 1.742420 3.972344 4.528426 3.482562 5.077781 5.561704 0.000000 3.944994 3.342090 2.205319 3.505370 3.026101 4.089432 3.903783 4.878970 4.434522 4.263773 3.909720 2.163589 2.337588 1.093042 2.198125 3.344026 3.830687 2.767411 3.769608 3.171555 2.601332 2.570673 4.237185 0.000000 3.188892 3.693380 3.465542 2.195324 4.098156 3.358246 4.055439 4.136171 3.299510 4.766697 5.125012 1.092056 1.730615 2.183649 2.755736 3.755316 4.730792 4.758020 5.605133 5.040954 5.095345 4.979003 4.060242 2.637497 0.000000 2.531544 3.926361 4.344682 1.536995 4.538038 2.488270 3.758420 2.893769 2.578337 4.697363 5.361153 2.542971 3.028798 3.865396 4.383525 4.540860 5.617814 5.889539 6.390064 6.247974 6.640405 6.434552 4.476433 4.684347 2.542037 0.000000 2.754957 4.293000 4.927118 2.184033 4.988939 2.739188 4.032876 2.703381 2.765642 4.859272 5.660047 3.508191 3.961370 4.719617 5.181448 5.053391 6.094833 6.460292 6.814132 6.818263 7.343425 7.133296 4.868121 5.608407 3.619976 1.095864 0.000000 2.804034 4.108796 4.678703 2.183753 5.187017 3.451800 4.638581 3.356559 2.429096 4.948095 6.021896 2.802099 3.500505 3.971048 4.113515 4.348151 5.437649 6.143393 6.752864 6.328473 6.898302 6.822201 4.098669 4.799575 2.430883 1.094570 1.771313 0.000000 3.496180 4.776552 4.911295 2.181799 4.906385 2.744030 3.999818 3.846012 3.642165 5.589974 5.814029 2.777486 2.897909 4.285428 5.003471 5.400391 6.472046 6.456855 6.993577 6.913411 7.026418 6.704621 5.432142 4.912365 2.652889 1.095709 1.772394 1.771674 0.000000 4.040767 4.223612 3.610471 3.494240 2.181541 2.101686 1.088147 3.857972 5.105660 4.384000 2.403990 4.027978 3.665478 4.414079 5.772300 5.658433 6.247625 4.608640 4.456384 5.566537 5.105204 4.443417 6.303577 4.798396 5.041680 4.584327 4.722331 5.548072 4.699765 0.000000 3.217349 4.251029 4.220074 2.238529 3.498141 1.089193 2.093590 3.011172 3.987712 4.685267 4.111932 3.343799 3.202193 4.434087 5.544875 5.503830 6.399436 5.677815 5.829545 6.395094 6.359848 5.867341 5.794533 5.086236 4.020957 2.573792 2.519448 3.657711 2.602393 2.415525 0.000000 3.526543 3.492664 3.785318 3.612219 5.097409 5.020658 5.536348 4.592837 3.119467 4.481485 5.880629 2.888594 3.850369 2.617562 1.546709 2.546168 3.332565 4.592279 5.532482 4.320048 5.111645 5.448772 2.555940 3.179477 2.427413 4.025183 4.871395 3.406572 4.594388 6.619313 5.834163 0.000000 4.264488 4.297929 4.268643 3.969575 5.439342 5.309639 5.836781 5.341880 3.968243 5.345713 6.332948 2.919826 3.668378 2.837713 2.179811 3.499788 4.238938 5.072166 6.086497 4.911532 5.323411 5.567386 3.638566 3.080271 2.193989 4.265916 5.239094 3.660982 4.586081 6.886499 6.076831 1.095564 0.000000 2.916101 3.351490 3.903474 2.969474 5.047821 4.469598 5.203582 3.914618 2.343480 4.324882 5.843168 2.662505 3.691151 2.892886 2.192962 2.740891 3.718361 4.986184 5.812010 4.833624 5.673040 5.898319 2.505460 3.668618 2.162515 3.103046 3.878822 2.383083 3.769076 6.278818 5.157711 1.097601 1.770377 0.000000 4.539562 4.387743 4.888200 4.900184 6.320264 6.338257 6.844922 5.529876 3.910142 5.215145 6.994495 4.311621 5.276618 3.887620 2.480487 3.086917 3.572538 5.429908 6.342301 4.897064 5.970821 6.471293 2.771094 4.371331 3.812474 5.177924 5.907851 4.398031 5.810593 7.931894 7.133712 1.428230 2.015356 2.075992 0.000000 4.308460 4.102680 4.867770 4.967290 6.334990 6.382624 6.868192 5.203249 3.589950 4.782149 6.891215 4.636792 5.674598 4.144676 2.658005 2.728603 3.122545 5.358532 6.160273 4.733918 6.090718 6.646388 2.157479 4.778745 4.295378 5.288670 5.876303 4.535320 6.063703 7.947718 7.178361 1.953120 2.819905 2.326130 0.967089 0.000000 4.498507 3.911310 2.479392 4.024018 1.462687 3.454160 2.398116 4.892843 5.471200 4.316780 2.013567 3.523807 3.106563 3.099209 4.543798 4.868604 5.213870 2.865066 3.058626 3.923031 2.712032 1.867554 5.832358 2.931497 4.519228 5.436893 6.029649 6.077851 5.567545 2.705800 4.314727 5.713286 5.814643 5.838303 6.968931 7.141256 0.000000 4.543617 4.190654 2.784862 3.763080 1.974705 3.276827 2.499959 5.039550 5.450976 4.786956 2.807970 3.048284 2.402200 2.912746 4.464629 5.044270 5.529513 3.438402 3.844864 4.414417 3.178978 2.355143 5.955113 2.619443 3.950748 5.041582 5.738672 5.670844 5.016155 2.892556 4.078404 5.442045 5.385691 5.545868 6.768959 7.054668 0.968531 0.000000 4.615524 3.680050 3.360490 4.884150 4.807933 5.895649 5.845780 5.625074 4.629459 4.450681 5.375772 3.861390 4.541636 2.567885 1.542846 2.591090 2.600920 3.253481 4.295714 2.730602 3.385223 4.031561 3.279403 2.549880 3.911804 5.866590 6.707786 5.559123 6.391791 6.832964 6.919829 2.478800 2.747709 3.454221 2.831254 3.129885 5.075255 5.042312 0.000000 5.257096 4.514410 4.012600 5.236234 5.314671 6.260503 6.271006 6.315060 5.255938 5.382321 6.009100 3.979032 4.511707 2.897665 2.176124 3.532266 3.679139 4.014453 5.102865 3.662031 3.835732 4.351237 4.141803 2.565838 3.827782 6.088914 7.032704 5.738767 6.452989 7.242969 7.240144 2.638443 2.450331 3.684835 3.017413 3.598283 5.359063 5.152476 1.096478 0.000000 5.111915 4.168636 4.167287 5.598583 5.686755 6.706540 6.714710 6.085633 4.940026 4.813564 6.158245 4.733694 5.513946 3.519676 2.182315 2.799617 2.571648 3.946965 4.886839 3.178055 4.211115 4.961255 3.222707 3.630173 4.689538 6.473660 7.248069 6.036531 7.089593 7.719121 7.713617 2.766753 3.189774 3.752751 2.545636 2.683239 6.070464 6.094493 1.092851 1.766124 0.000000 4.936219 3.753160 3.141077 5.233569 4.480891 6.012193 5.717213 5.859167 5.150265 4.369514 4.910269 4.226113 4.756182 2.737067 2.200067 2.930048 2.677286 2.572539 3.587441 2.054739 2.483912 3.258221 3.822753 2.523116 4.507174 6.408665 7.216500 6.258369 6.917549 6.614227 7.081949 3.453433 3.709478 4.335639 3.889983 4.080492 4.595826 4.710559 1.089799 1.759232 1.779046 0.000000</array>
</module>
<module cmlx:templateRef="l202.stoich">
<scalar cmlx:templateRef="stoich" dataType="xsd:string" dictRef="g:stoichiometry">C15H24O3</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="0" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="-0.247866" y3="1.552992" z3="1.315295">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a2" x3="-0.030006" y3="0.024603" z3="1.546967">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="-0.657282" y3="-0.848483" z3="0.417051">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="-0.788124" y3="1.945741" z3="-0.09602">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a5" x3="-2.203201" y3="-0.725974" z3="0.209121">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a6" x3="-2.294733" y3="1.783976" z3="-0.046964">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a7" x3="-2.892751" y3="0.604726" z3="0.106063">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a8" x3="-0.944499" y3="1.951569" z3="2.058782">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a9" x3="0.700302" y3="2.072695" z3="1.490668">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a10" x3="-0.398014" y3="-0.258003" z3="2.539439">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a11" x3="-2.660726" y3="-1.248243" z3="1.058077">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a12" x3="-0.223477" y3="1.028783" z3="-1.234378">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a13" x3="-1.012165" y3="0.904668" z3="-1.983386">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a14" x3="0.246182" y3="-0.368138" z3="-0.762151">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a15" x3="1.710063" y3="-0.39308" z3="-0.160238">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a16" x3="1.477289" y3="-0.294936" z3="1.385989">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a17" x3="1.753419" y3="-1.224289" z3="1.889711">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a18" x3="-0.451386" y3="-2.362889" z3="0.749301">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a19" x3="-1.178887" y3="-2.635068" z3="1.53197">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a20" x3="0.531833" y3="-2.554623" z3="1.171784">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a21" x3="-0.567455" y3="-3.223342" z3="-0.376595">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a22" x3="-1.382953" y3="-2.935042" z3="-0.826386">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a23" x3="2.086511" y3="0.485661" z3="1.855807">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a24" x3="0.194912" y3="-1.06122" z3="-1.605804">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a25" x3="0.58137" y3="1.543018" z3="-1.763877">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a26" x3="-0.447469" y3="3.415971" z3="-0.38711">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a27" x3="-0.856684" y3="4.074509" z3="0.38735">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a28" x3="0.635789" y3="3.569061" z3="-0.421722">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a29" x3="-0.864125" y3="3.728857" z3="-1.350997">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a30" x3="-3.978475" y3="0.539957" z3="0.138811">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a31" x3="-2.900255" y3="2.687185" z3="-0.109408">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a32" x3="2.591194" y3="0.787499" z3="-0.631565">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a33" x3="2.645679" y3="0.800886" z3="-1.725691">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a34" x3="2.167098" y3="1.746653" z3="-0.307693">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a35" x3="3.945331" y3="0.681864" z3="-0.189983">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a36" x3="3.941872" y3="0.705072" z3="0.776821">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a37" x3="-2.618347" y3="-1.538625" z3="-0.933991">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a38" x3="-2.421292" y3="-1.02434" z3="-1.730692">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a39" x3="2.442079" y3="-1.686176" z3="-0.575485">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a40" x3="2.692588" y3="-1.647575" z3="-1.642265">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a41" x3="3.377637" y3="-1.793904" z3="-0.021003">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a42" x3="1.829766" y3="-2.574358" z3="-0.420991">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C15H24O3"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">228.1587</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/15C.3O.24H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;2;3;4;5;6;7;12;14;15;16;18;26;32;39;21;35;37;8;9;10;11;13;17;19;20;22;23;24;25;27;28;29;30;31;33;34;36;38;40;41;42/rA:42nC0C0C0C0C0C0C0H0H0H0H0C0H0C0C0C0H0C0H0H0O0H0H0H0H0C0H0H0H0H0H0C0H0H0O0H0O0H0C0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2479,1.553,1.3153;-.03,.0246,1.547;-.6573,-.8485,.4171;-.7881,1.9457,-.096;-2.2032,-.726,.2091;-2.2947,1.784,-.047;-2.8928,.6047,.1061;-.9445,1.9516,2.0588;.7003,2.0727,1.4907;-.398,-.258,2.5394;-2.6607,-1.2482,1.0581;-.2235,1.0288,-1.2344;-1.0122,.9047,-1.9834;.2462,-.3681,-.7622;1.7101,-.3931,-.1602;1.4773,-.2949,1.386;1.7534,-1.2243,1.8897;-.4514,-2.3629,.7493;-1.1789,-2.6351,1.532;.5318,-2.5546,1.1718;-.5675,-3.2233,-.3766;-1.383,-2.935,-.8264;2.0865,.4857,1.8558;.1949,-1.0612,-1.6058;.5814,1.543,-1.7639;-.4475,3.416,-.3871;-.8567,4.0745,.3874;.6358,3.5691,-.4217;-.8641,3.7289,-1.351;-3.9785,.54,.1388;-2.9003,2.6872,-.1094;2.5912,.7875,-.6316;2.6457,.8009,-1.7257;2.1671,1.7467,-.3077;3.9453,.6819,-.19;3.9419,.7051,.7768;-2.6183,-1.5386,-.934;-2.4213,-1.0243,-1.7307;2.4421,-1.6862,-.5755;2.6926,-1.6476,-1.6423;3.3776,-1.7939,-.021;1.8298,-2.5744,-.421;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.5627660 0.4576279 0.3085376</array>
</module>
</module>
<module cmlx:templateRef="l601.popanal" dictRef="cc:userDefinedModule">
<array dataType="xsd:double" dictRef="g:alphaocc" size="69">-19.17753 -19.16357 -19.14978 -10.25194 -10.23285 -10.22955 -10.20652 -10.20635 -10.20073 -10.19799 -10.19377 -10.19374 -10.18948 -10.18594 -10.18537 -10.18359 -10.17853 -10.16922 -1.04408 -1.03028 -1.01673 -0.87750 -0.82452 -0.78524 -0.76745 -0.75119 -0.71130 -0.68740 -0.68036 -0.66952 -0.64396 -0.61548 -0.60767 -0.55146 -0.54805 -0.53586 -0.51373 -0.50527 -0.49267 -0.47347 -0.46641 -0.46315 -0.45515 -0.44934 -0.44267 -0.43040 -0.42213 -0.41650 -0.40234 -0.39838 -0.39359 -0.38531 -0.38178 -0.37905 -0.37198 -0.36712 -0.35989 -0.34966 -0.33378 -0.32717 -0.31769 -0.31555 -0.30862 -0.30311 -0.29932 -0.28700 -0.27528 -0.27064 -0.25602</array>
<array dataType="xsd:double" dictRef="g:alphavirt" size="393">-0.01411 -0.00036 0.00497 0.01102 0.01471 0.02655 0.02891 0.03254 0.03344 0.03850 0.05344 0.05484 0.05832 0.06039 0.06618 0.06679 0.07230 0.07935 0.08281 0.09147 0.09262 0.09620 0.10210 0.10271 0.10647 0.11195 0.11684 0.12515 0.13202 0.13492 0.13641 0.14113 0.14399 0.14710 0.14932 0.15272 0.15695 0.16174 0.16237 0.16492 0.16692 0.17490 0.17555 0.17943 0.18060 0.18399 0.18897 0.19145 0.19570 0.19896 0.20191 0.20695 0.20790 0.20876 0.21766 0.22137 0.22370 0.22553 0.22940 0.23258 0.23576 0.23713 0.23945 0.24424 0.24560 0.25273 0.25500 0.25604 0.25795 0.26554 0.26986 0.27052 0.27390 0.27678 0.28287 0.28359 0.28524 0.28949 0.29358 0.29724 0.30276 0.31109 0.31586 0.31827 0.32054 0.32574 0.32801 0.33169 0.33521 0.34219 0.34501 0.34991 0.35452 0.36145 0.36621 0.37075 0.38201 0.38354 0.38806 0.39396 0.39958 0.40101 0.41498 0.42201 0.42451 0.43310 0.44181 0.44665 0.45565 0.46292 0.47079 0.48183 0.50047 0.50976 0.52249 0.53477 0.55905 0.64298 0.65667 0.66079 0.67555 0.68260 0.69647 0.70557 0.71658 0.72173 0.72810 0.74388 0.74825 0.75557 0.76105 0.76700 0.77181 0.78221 0.78565 0.79802 0.79973 0.81835 0.82451 0.82697 0.83649 0.84406 0.85510 0.87716 0.88848 0.89597 0.89976 0.90178 0.91652 0.92735 0.93503 0.95002 0.96085 0.96217 0.97422 0.98546 0.99263 1.00467 1.01913 1.02058 1.03102 1.03588 1.04663 1.05155 1.05260 1.06103 1.06525 1.07906 1.08235 1.09273 1.10182 1.10529 1.13101 1.13769 1.14703 1.15808 1.16230 1.17310 1.17618 1.18009 1.19651 1.20132 1.21766 1.22946 1.24155 1.25283 1.27301 1.28183 1.28912 1.30809 1.32081 1.33144 1.33812 1.34051 1.35580 1.37060 1.37831 1.39988 1.40967 1.42764 1.43140 1.44159 1.45651 1.47376 1.47704 1.49221 1.51397 1.52725 1.53793 1.56587 1.57808 1.58444 1.59400 1.61797 1.63565 1.66187 1.67134 1.67964 1.68379 1.71156 1.71925 1.72927 1.74443 1.74910 1.75961 1.76663 1.77530 1.79229 1.81531 1.82440 1.83157 1.84252 1.84731 1.85986 1.86875 1.87563 1.88510 1.90318 1.91216 1.92502 1.93325 1.94143 1.94832 1.95867 1.96717 1.97961 1.98124 1.98925 2.00000 2.01828 2.02286 2.04351 2.05215 2.05303 2.05963 2.07154 2.08518 2.09373 2.10646 2.11029 2.11538 2.12662 2.12721 2.15144 2.16167 2.17212 2.18130 2.18878 2.20224 2.21092 2.22788 2.23703 2.24484 2.27377 2.28636 2.30227 2.30625 2.32127 2.32734 2.33426 2.35660 2.36400 2.37437 2.39282 2.40456 2.40809 2.41586 2.43269 2.44958 2.46226 2.46739 2.47690 2.48320 2.50148 2.50895 2.52036 2.52858 2.53523 2.55029 2.56662 2.57182 2.59027 2.59999 2.60926 2.62249 2.63245 2.65426 2.66049 2.66553 2.67674 2.68428 2.69760 2.70194 2.70830 2.72478 2.74090 2.74543 2.75153 2.75947 2.77282 2.78840 2.79245 2.79654 2.80811 2.82074 2.83661 2.84082 2.84720 2.86379 2.86983 2.88018 2.89648 2.89986 2.90755 2.91816 2.92818 2.94394 2.94466 2.95403 2.96650 2.99333 3.00007 3.03254 3.04924 3.05452 3.09314 3.11978 3.12426 3.16138 3.18274 3.20323 3.29686 3.31704 3.34548 3.36427 3.38076 3.38557 3.38823 3.39499 3.44613 3.45907 3.46465 3.48198 3.49521 3.49858 3.51669 3.53603 3.55476 3.56961 3.57717 3.58366 3.60670 3.60873 3.65977 3.66506 4.35729 4.40730 4.46716 4.48922 4.51593 4.54240 4.57523 4.57908 4.62864 4.67084 4.69845 4.71875 4.78495 4.83257 4.86695 4.91362 5.02726 5.11827</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">-2.0587 4.4371 1.8607</array>
<scalar dataType="xsd:double" dictRef="x:dipole">5.2334</scalar>
<array dataType="xsd:double" dictRef="cc:quadrupole" size="3">-125.3459 -125.7603 -105.4305</array>
<array dataType="xsd:double" dictRef="cc:quadrupole" size="3">-4.2929 6.3675 -2.7175</array>
<array dataType="xsd:double" dictRef="cc:quadrupole" size="6">-6.5003 -6.9148 13.4151 -4.2929 6.3675 -2.7175</array>
<array dataType="xsd:double" dictRef="cc:octapole" size="10">-57.6749 53.4128 -12.5656 2.3328 -1.4354 29.5151 2.3127 -9.3042 10.4353 5.8363</array>
<array dataType="xsd:double" dictRef="cc:hexadecapole" size="15">-2875.8443 -2337.1344 -649.6332 -54.2086 114.6680 -7.4167 -20.2080 26.8221 15.9576 -792.9485 -501.2418 -455.1635 7.6146 7.8413 29.2153</array>
</list>
</module>
<module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
<module cmlx:templateRef="l202.orient">
<molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="-0.245371" y3="1.549809" z3="1.312058">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a2" x3="-0.032131" y3="0.019655" z3="1.542025">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="-0.656511" y3="-0.85284" z3="0.405881">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="-0.785464" y3="1.946506" z3="-0.099019">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a5" x3="-2.204412" y3="-0.724801" z3="0.205118">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a6" x3="-2.291709" y3="1.787181" z3="-0.046275">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a7" x3="-2.892687" y3="0.606804" z3="0.107016">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a8" x3="-0.938734" y3="1.950346" z3="2.057845">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a9" x3="0.705778" y3="2.065026" z3="1.48456">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a10" x3="-0.406595" y3="-0.264579" z3="2.531801">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a11" x3="-2.659638" y3="-1.247869" z3="1.05399">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a12" x3="-0.220626" y3="1.029425" z3="-1.237976">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a13" x3="-1.008391" y3="0.901705" z3="-1.987458">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a14" x3="0.2535" y3="-0.367964" z3="-0.767855">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a15" x3="1.716737" y3="-0.39322" z3="-0.157143">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a16" x3="1.47618" y3="-0.300562" z3="1.388402">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a17" x3="1.750177" y3="-1.232448" z3="1.889103">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a18" x3="-0.454001" y3="-2.363654" z3="0.752241">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a19" x3="-1.170047" y3="-2.626534" z3="1.545888">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a20" x3="0.53541" y3="-2.562749" z3="1.153431">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a21" x3="-0.601165" y3="-3.248846" z3="-0.360192">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a22" x3="-1.41327" y3="-2.968887" z3="-0.820523">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a23" x3="2.082289" y3="0.47825" z3="1.86474">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a24" x3="0.212652" y3="-1.053228" z3="-1.619005">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a25" x3="0.582433" y3="1.546205" z3="-1.767866">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a26" x3="-0.444594" y3="3.418093" z3="-0.387516">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a27" x3="-0.855221" y3="4.074578" z3="0.388639">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a28" x3="0.638841" y3="3.571941" z3="-0.421328">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a29" x3="-0.861751" y3="3.731641" z3="-1.351594">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a30" x3="-3.97833" y3="0.54619" z3="0.152863">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a31" x3="-2.89726" y3="2.691217" z3="-0.101283">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a32" x3="2.589287" y3="0.792564" z3="-0.630527">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a33" x3="2.653232" y3="0.801945" z3="-1.72316">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a34" x3="2.165896" y3="1.749338" z3="-0.306525">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a35" x3="3.950873" y3="0.705849" z3="-0.183399">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a36" x3="3.966989" y3="0.753992" z3="0.782474">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a37" x3="-2.630756" y3="-1.539995" z3="-0.937851">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a38" x3="-2.480979" y3="-1.025272" z3="-1.744611">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a39" x3="2.451361" y3="-1.685843" z3="-0.573095">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a40" x3="2.705459" y3="-1.647724" z3="-1.639273">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a41" x3="3.383468" y3="-1.798664" z3="-0.012535">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a42" x3="1.839819" y3="-2.574945" z3="-0.417454">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C15H24O3"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">228.1587</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/15C.3O.24H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;2;3;4;5;6;7;12;14;15;16;18;26;32;39;21;35;37;8;9;10;11;13;17;19;20;22;23;24;25;27;28;29;30;31;33;34;36;38;40;41;42/rA:42nC0C0C0C0C0C0C0H0H0H0H0C0H0C0C0C0H0C0H0H0O0H0H0H0H0C0H0H0H0H0H0C0H0H0O0H0O0H0C0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2454,1.5498,1.3121;-.0321,.0197,1.542;-.6565,-.8528,.4059;-.7855,1.9465,-.099;-2.2044,-.7248,.2051;-2.2917,1.7872,-.0463;-2.8927,.6068,.107;-.9387,1.9503,2.0578;.7058,2.065,1.4846;-.4066,-.2646,2.5318;-2.6596,-1.2479,1.054;-.2206,1.0294,-1.238;-1.0084,.9017,-1.9875;.2535,-.368,-.7679;1.7167,-.3932,-.1571;1.4762,-.3006,1.3884;1.7502,-1.2324,1.8891;-.454,-2.3637,.7522;-1.17,-2.6265,1.5459;.5354,-2.5627,1.1534;-.6012,-3.2488,-.3602;-1.4133,-2.9689,-.8205;2.0823,.4783,1.8647;.2127,-1.0532,-1.619;.5824,1.5462,-1.7679;-.4446,3.4181,-.3875;-.8552,4.0746,.3886;.6388,3.5719,-.4213;-.8618,3.7316,-1.3516;-3.9783,.5462,.1529;-2.8973,2.6912,-.1013;2.5893,.7926,-.6305;2.6532,.8019,-1.7232;2.1659,1.7493,-.3065;3.9509,.7058,-.1834;3.967,.754,.7825;-2.6308,-1.54,-.9379;-2.481,-1.0253,-1.7446;2.4514,-1.6858,-.5731;2.7055,-1.6477,-1.6393;3.3835,-1.7987,-.0125;1.8398,-2.5749,-.4175;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.distmat">
<array dataType="xsd:double" dictRef="cc:distance" size="903">0.000000 1.561963 0.000000 2.600561 1.562665 0.000000 1.562117 2.640699 2.847436 0.000000 3.199533 2.657131 1.566109 3.040032 0.000000 2.467573 3.279107 3.138157 1.515566 2.526039 0.000000 3.057723 3.253733 2.687073 2.505522 1.502171 1.333403 0.000000 1.094249 2.194441 3.265959 2.162307 3.491555 2.506887 3.070630 0.000000 1.095394 2.175168 3.396075 2.178434 4.229576 3.377215 4.119828 1.745344 0.000000 2.192206 1.095750 2.219920 3.457405 2.976139 3.796030 3.580438 2.326736 2.785883 0.000000 3.704361 2.957801 2.142104 3.878915 1.096090 3.249228 2.095443 3.767999 4.742013 2.868272 0.000000 2.602707 2.963709 2.536766 1.567578 3.015831 2.506737 3.021179 3.496600 3.056615 3.990018 4.048204 0.000000 3.448050 3.766742 2.988363 2.169679 2.980499 2.489812 2.832730 4.179590 4.043093 4.705961 4.074026 1.094811 0.000000 2.872763 2.359530 1.562332 2.623654 2.667460 3.412245 3.407941 3.844550 3.346247 3.366622 3.546791 1.548711 2.166070 0.000000 3.127903 2.473090 2.482046 3.426179 3.951783 4.564436 4.724046 4.177320 3.124132 3.428630 4.620597 2.635430 3.528910 1.585771 0.000000 2.528525 1.549562 2.412205 3.518064 3.889332 4.540260 4.642442 3.368465 2.489734 2.203066 4.256079 3.397923 4.360616 2.479705 1.566896 0.000000 3.472196 2.205639 2.852403 4.526351 4.328082 5.403766 5.302345 4.170000 3.482493 2.449796 4.488220 4.333446 5.214598 3.169669 2.211909 1.092788 0.000000 3.958802 2.545956 1.563181 4.405904 2.459496 4.609147 3.897066 4.533229 4.636225 2.752307 2.490153 3.940611 4.298356 2.606536 3.069477 2.895971 2.725891 0.000000 4.283871 2.880484 2.170099 4.875071 2.546403 4.824313 3.936028 4.611230 5.053041 2.670902 2.088435 4.692264 4.995912 3.532851 4.027596 3.526679 3.254072 1.100774 0.000000 4.189023 2.672437 2.214339 4.862789 3.432779 5.324827 4.784652 4.833125 4.642734 2.840575 3.456461 4.381111 4.924525 2.930511 2.796425 2.461250 1.945912 1.086059 1.751192 0.000000 5.094124 3.824307 2.516103 5.205176 3.043153 5.321471 4.509478 5.743906 5.774811 4.160208 3.200176 4.383938 4.476706 3.032511 3.683544 4.008157 3.828054 1.429241 2.084237 2.013352 0.000000 5.131326 4.052229 2.560157 5.007573 2.591094 4.898091 3.979267 5.719182 5.928242 4.423206 2.833573 4.193228 4.062898 3.089611 4.107441 4.510901 4.512725 1.939096 2.403387 2.803354 0.974575 0.000000 2.621392 2.187515 3.376551 3.773080 4.751577 4.949458 5.277926 3.366146 2.134755 2.681661 5.111034 3.903083 4.956919 3.315283 2.231837 1.095816 1.742807 3.968228 4.507664 3.485178 5.103184 5.595741 0.000000 3.946735 3.347104 2.212637 3.507847 3.045897 4.100393 3.921477 4.885322 4.427053 4.270201 3.928464 2.161101 2.334195 1.093486 2.198845 3.347761 3.834439 2.790063 3.795220 3.173204 2.658504 2.636464 4.239981 0.000000 3.189233 3.696407 3.466349 2.194637 4.100810 3.358964 4.058832 4.136828 3.295856 4.769093 5.126474 1.092130 1.730411 2.184550 2.764497 3.764487 4.738983 4.765724 5.609270 5.041794 5.135655 5.026563 4.072582 2.629819 0.000000 2.533520 3.929711 4.349167 1.537853 4.540016 2.487600 3.760461 2.894519 2.580467 4.699566 5.362421 2.545423 3.034780 3.868619 4.387542 4.546609 5.623836 5.893024 6.387633 6.253430 6.668832 6.474514 4.483354 4.684148 2.542462 0.000000 2.756642 4.295366 4.931453 2.184346 4.988791 2.735842 4.031877 2.702883 2.770570 4.860317 5.659245 3.510205 3.966916 4.722596 5.184019 5.057352 6.099509 6.460960 6.807587 6.824431 7.365991 7.168255 4.872516 5.609401 3.620778 1.096359 0.000000 2.806328 4.113842 4.684112 2.185079 5.190233 3.451689 4.641430 3.356279 2.430573 4.953059 6.023877 2.805349 3.506608 3.973842 4.117542 4.355749 5.445669 6.148403 6.750046 6.334429 6.932856 6.866800 4.108598 4.796692 2.433096 1.094825 1.772261 0.000000 3.497908 4.779136 4.914093 2.182079 4.907746 2.744004 4.002106 3.847494 3.643971 5.590858 5.815045 2.779554 2.904198 4.288508 5.008971 5.406678 6.478153 6.461037 6.994058 6.917120 7.055351 6.744129 5.440288 4.911295 2.652373 1.096257 1.773714 1.772759 0.000000 4.035588 4.216574 3.613278 3.495528 2.182872 2.103427 1.088300 3.852240 5.101092 4.367376 2.402004 4.035875 3.678030 4.426261 5.780344 5.656432 6.244507 4.609484 4.460174 5.571398 5.105954 4.459011 6.298114 4.823068 5.048741 4.585534 4.717936 5.550057 4.703568 0.000000 3.214477 4.248137 4.223566 2.239259 3.499014 1.089495 2.094800 3.007747 3.986087 4.676887 4.111875 3.349327 3.213695 4.441869 5.550300 5.504261 6.399645 5.678885 5.828801 6.400132 6.373651 5.895448 5.792959 5.098618 4.024527 2.574072 2.514684 3.658157 2.605581 2.415459 0.000000 3.518855 3.491303 3.783742 3.605971 5.097083 5.015450 5.534484 4.584183 3.104893 4.482541 5.878109 2.884563 3.846617 2.611816 1.546453 2.551471 3.339657 4.597321 5.528074 4.319611 5.156069 5.495914 2.565579 3.167401 2.426722 4.019563 4.865691 3.401903 4.589965 6.618760 5.829852 0.000000 4.263068 4.299370 4.269137 3.971459 5.444806 5.313668 5.843358 5.340135 3.959472 5.348337 6.335683 2.923390 3.672504 2.835490 2.181250 3.504682 4.242959 5.079717 6.087578 4.907251 5.371935 5.618751 3.647435 3.067400 2.200938 4.269039 5.242047 3.664071 4.590892 6.896556 6.083403 1.094543 0.000000 2.910984 3.352650 3.904463 2.965209 5.048043 4.465356 5.202467 3.907605 2.332293 4.327778 5.841235 2.661082 3.690544 2.890164 2.194222 2.747831 3.726211 4.990145 5.805877 4.835706 5.713260 5.944431 2.517349 3.659527 2.164286 3.099348 3.875195 2.380538 3.766742 6.277747 5.154106 1.095287 1.772542 0.000000 4.533996 4.394572 4.899464 4.896860 6.331290 6.337027 6.850435 5.520888 3.893597 5.225090 7.003355 4.314885 5.280841 3.894255 2.489981 3.099601 3.591005 5.449787 6.349727 4.912864 6.032570 6.533271 2.781777 4.373740 3.816166 5.168951 5.896957 4.386417 5.803572 7.937935 7.130593 1.435743 2.015929 2.071273 0.000000 4.319463 4.136318 4.909225 4.978447 6.372312 6.397312 6.894422 5.208066 3.584304 4.819323 6.927723 4.657703 5.696380 4.177595 2.694923 2.771888 3.175661 5.409786 6.196765 4.786869 6.180326 6.736216 2.190760 4.809177 4.311270 5.284730 5.868143 4.523997 6.061136 7.972934 7.186917 1.973859 2.829569 2.328211 0.967206 0.000000 4.505446 3.916012 2.485043 4.032918 1.467204 3.461208 2.401895 4.900981 5.476925 4.314170 2.013356 3.535636 3.113782 3.117931 4.563474 4.880018 5.222914 2.876298 3.079481 3.929897 2.715346 1.880897 5.842998 2.964099 4.531902 5.446541 6.036185 6.090070 5.575904 2.712522 4.321345 5.725743 5.832831 5.850312 6.995059 7.193896 0.000000 4.579543 4.229741 2.825425 3.796604 1.992038 3.290906 2.502339 5.068678 5.489345 4.813462 2.813118 3.096394 2.437361 2.977160 4.532147 5.099028 5.581172 3.483414 3.887154 4.456577 3.224065 2.402411 6.009276 2.696703 3.999691 5.072678 5.762145 5.711280 5.040296 2.883048 4.084864 5.500300 5.449706 5.600000 6.841262 7.150400 0.968625 0.000000 4.614717 3.681058 3.363207 4.888328 4.817203 5.902216 5.854710 5.624630 4.620609 4.452896 5.381592 3.867074 4.545956 2.570084 1.543880 2.591805 2.599931 3.264517 4.299952 2.724101 3.436018 4.079558 3.280632 2.550676 3.920013 5.871214 6.711249 5.563503 6.397805 6.844700 6.927410 2.482906 2.748180 3.457314 2.849664 3.176081 5.097278 5.112415 0.000000 5.257563 4.516105 4.014641 5.241890 5.325448 6.269602 6.282648 6.316244 5.248007 5.384777 6.016462 3.986244 4.518130 2.899872 2.179005 3.534514 3.678920 4.026671 5.111054 3.653160 3.890167 4.402244 4.145626 2.562796 3.837311 6.095263 7.038153 5.744494 6.461062 7.259342 7.251364 2.643117 2.451661 3.688817 3.034786 3.636558 5.383196 5.224718 1.096702 0.000000 5.112268 4.170043 4.170262 5.604799 5.694292 6.713200 6.722402 6.084651 4.933500 4.815770 6.161167 4.742287 5.520936 3.523366 2.184989 2.800836 2.569916 3.953513 4.883498 3.170921 4.254549 5.003095 3.225146 3.631872 4.702672 6.481451 7.254129 6.045121 7.099242 7.727985 7.721039 2.779766 3.197288 3.762609 2.573660 2.736529 6.090485 6.163599 1.093516 1.768828 0.000000 4.934859 3.751760 3.142482 5.238037 4.490705 6.019588 5.726710 5.858816 5.141308 4.368326 4.916440 4.232041 4.760704 2.740430 2.200645 2.926802 2.670307 2.583494 3.593976 2.041889 2.532947 3.301551 3.819582 2.531209 4.515364 6.413731 7.220054 6.263113 6.924170 6.627035 7.090299 3.456475 3.710781 4.337979 3.908317 4.128742 4.618222 4.778297 1.090281 1.761225 1.774662 0.000000</array>
</module>
<module cmlx:templateRef="l202.stoich">
<scalar cmlx:templateRef="stoich" dataType="xsd:string" dictRef="g:stoichiometry">C15H24O3</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="0" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="-0.207561" y3="1.552907" z3="1.314898">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a2" x3="-0.028557" y3="0.017937" z3="1.541946">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="-0.674004" y3="-0.838281" z3="0.40519">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="-0.740505" y3="1.964136" z3="-0.094737">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a5" x3="-2.218898" y3="-0.675032" z3="0.206826">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a6" x3="-2.249885" y3="1.838715" z3="-0.040145">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a7" x3="-2.877111" y3="0.671919" z3="0.111972">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a8" x3="-0.890697" y3="1.967673" z3="2.062344">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a9" x3="0.755196" y3="2.046251" z3="1.486942">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a10" x3="-0.407979" y3="-0.259508" z3="2.53176">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a11" x3="-2.684638" y3="-1.189183" z3="1.055441">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a12" x3="-0.198045" y3="1.036542" z3="-1.236055">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a13" x3="-0.989514" y3="0.927918" z3="-1.984645">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a14" x3="0.2451" y3="-0.371997" z3="-0.768994">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a15" x3="1.70823" y3="-0.431295" z3="-0.160387">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a16" x3="1.47194" y3="-0.335931" z3="1.385652">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a17" x3="1.725543" y3="-1.274628" z3="1.884371">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a18" x3="-0.505131" y3="-2.353877" z3="0.748679">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a19" x3="-1.225835" y3="-2.601932" z3="1.542882">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a20" x3="0.480087" y3="-2.575924" z3="1.148134">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a21" x3="-0.673737" y3="-3.233586" z3="-0.36506">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a22" x3="-1.479953" y3="-2.93459" z3="-0.823767">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a23" x3="2.096104" y3="0.428188" z3="1.862468">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a24" x3="0.187649" y3="-1.054681" z3="-1.621257">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a25" x3="0.615734" y3="1.53601" z3="-1.76619">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a26" x3="-0.36694" y3="3.428166" z3="-0.381194">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a27" x3="-0.761599" y3="4.092387" z3="0.396661">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a28" x3="0.71964" y3="3.557611" z3="-0.416268">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a29" x3="-0.778242" y3="3.752718" z3="-1.344146">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a30" x3="-3.96378" y3="0.635714" z3="0.159244">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a31" x3="-2.834976" y3="2.756266" z3="-0.092753">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a32" x3="2.606643" y3="0.735341" z3="-0.632968">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a33" x3="2.669287" y3="0.745183" z3="-1.725673">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a34" x3="2.205373" y3="1.70085" z3="-0.306734">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a35" x3="3.966538" y3="0.617176" z3="-0.187907">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a36" x3="3.985058" y3="0.663261" z3="0.778023">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a37" x3="-2.665076" y3="-1.478414" z3="-0.936935">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a38" x3="-2.504837" y3="-0.965794" z3="-1.743023">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a39" x3="2.412956" y3="-1.739423" z3="-0.579584">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a40" x3="2.666389" y3="-1.705184" z3="-1.646052">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a41" x3="3.343049" y3="-1.874203" z3="-0.020531">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a42" x3="1.781738" y3="-2.614784" z3="-0.424605">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C15H24O3"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">228.1587</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/15C.3O.24H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;2;3;4;5;6;7;12;14;15;16;18;26;32;39;21;35;37;8;9;10;11;13;17;19;20;22;23;24;25;27;28;29;30;31;33;34;36;38;40;41;42/rA:42nC0C0C0C0C0C0C0H0H0H0H0C0H0C0C0C0H0C0H0H0O0H0H0H0H0C0H0H0H0H0H0C0H0H0O0H0O0H0C0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2076,1.5529,1.3149;-.0286,.0179,1.5419;-.674,-.8383,.4052;-.7405,1.9641,-.0947;-2.2189,-.675,.2068;-2.2499,1.8387,-.0401;-2.8771,.6719,.112;-.8907,1.9677,2.0623;.7552,2.0463,1.4869;-.408,-.2595,2.5318;-2.6846,-1.1892,1.0554;-.198,1.0365,-1.2361;-.9895,.9279,-1.9846;.2451,-.372,-.769;1.7082,-.4313,-.1604;1.4719,-.3359,1.3857;1.7255,-1.2746,1.8844;-.5051,-2.3539,.7487;-1.2258,-2.6019,1.5429;.4801,-2.5759,1.1481;-.6737,-3.2336,-.3651;-1.48,-2.9346,-.8238;2.0961,.4282,1.8625;.1876,-1.0547,-1.6213;.6157,1.536,-1.7662;-.3669,3.4282,-.3812;-.7616,4.0924,.3967;.7196,3.5576,-.4163;-.7782,3.7527,-1.3441;-3.9638,.6357,.1592;-2.835,2.7563,-.0928;2.6066,.7353,-.633;2.6693,.7452,-1.7257;2.2054,1.7008,-.3067;3.9665,.6172,-.1879;3.9851,.6633,.778;-2.6651,-1.4784,-.9369;-2.5048,-.9658,-1.743;2.413,-1.7394,-.5796;2.6664,-1.7052,-1.6461;3.343,-1.8742,-.0205;1.7817,-2.6148,-.4246;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.5606544 0.4560027 0.3071073</array>
</module>
</module>
<module cmlx:templateRef="l401"/>
<module cmlx:templateRef="l716.forces">
<list cmlx:templateRef="force">
<array dataType="xsd:integer" dictRef="x:serial" size="42">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</array>
<array dataType="xsd:integer" dictRef="x:elementType" size="42">6 6 6 6 6 6 6 1 1 1 1 6 1 6 6 6 1 6 1 1 8 1 1 1 1 6 1 1 1 1 1 6 1 1 8 1 8 1 6 1 1 1</array>
<list>
<array dataType="xsd:double" dictRef="cc:force" size="3">-0.000148915 0.000117552 0.000255227</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">-0.000038935 0.000041452 0.000601840</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">0.000076877 -0.000519753 -0.001461563</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">-0.000002038 0.000208053 -0.000181420</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">-0.000142438 0.001028173 0.003737259</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">0.001558609 0.002328223 -0.000087049</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">-0.001530121 -0.002175192 -0.000054847</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">-0.000111910 0.000000259 0.000154504</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">0.000089073 -0.000040555 -0.000150858</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">-0.000061909 -0.000076166 0.000113450</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">-0.000074688 0.000136809 -0.000359603</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">-0.000334557 -0.000007573 -0.000102845</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">0.000088060 0.000004857 -0.000278980</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">0.000329153 0.000564215 -0.000235995</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">0.000695862 -0.000436504 0.000858886</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">0.000025539 -0.000244873 0.000348961</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">0.000096876 -0.000180306 0.000021718</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">0.002391634 0.002926591 0.005519620</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">0.000254197 -0.000664424 -0.001273996</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">-0.000315491 -0.000213797 -0.000308456</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">-0.002397780 -0.001461261 -0.001271492</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">-0.000218728 -0.002082856 -0.001778012</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">-0.000226272 0.000090699 0.000190276</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">0.000641747 0.000456945 -0.000595570</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">-0.000032377 0.000048284 -0.000018069</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">0.000105846 0.000290823 0.000010184</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">-0.000169628 0.000136797 0.000285247</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">0.000200642 0.000017107 0.000002117</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">-0.000179217 0.000016772 -0.000352617</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">-0.000164562 0.000121659 0.000331390</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">-0.000206532 0.000122825 -0.000016787</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">-0.005292706 0.000694493 -0.004297444</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">0.000378579 -0.000098300 0.000352057</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">0.001392774 -0.000682280 0.000355072</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">0.001305749 0.001208748 0.002330992</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">0.002343419 -0.000006574 0.000474049</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">0.000520525 0.000236470 -0.001477842</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">-0.001119656 -0.000925728 -0.001507843</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">-0.000076973 -0.000105680 -0.000701460</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">0.000019171 0.000005743 -0.000296746</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">0.000038895 -0.000719099 0.000389537</array>
<array dataType="xsd:double" dictRef="cc:force" size="3">0.000292206 -0.000162626 0.000477108</array>
</list>
</list>
<list cmlx:templateRef="cartesianforce">
<scalar dataType="xsd:double" dictRef="cc:maxforce">0.005519620</scalar>
<scalar dataType="xsd:double" dictRef="cc:rmsforce">0.001175041</scalar>
</list>
</module>
<module cmlx:templateRef="l50X">
<scalar dataType="xsd:integer" dictRef="cc:ncycle">7</scalar>
<scalar dataType="xsd:double" dictRef="g:rbhflyp" units="nonsi:hartree">-811.791996748</scalar>
</module>
</module>
</module>
<module dictRef="cc:finalization" id="finalization">
<propertyList>
<property dictRef="cc:jobtime">
<scalar dataType="xsd:string">PT15409.100S</scalar>
</property>
<property dictRef="cc:jobdatetime.end">
<scalar dataType="xsd:date">2026-03-24T16:26:01.000</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="42">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</array>
<array dataType="xsd:string" dictRef="cc:elementType" size="42">C C C C C C C H H H H C H C C C H C H H O H H H H C H H H H H C H H O H O H C H H H</array>
<array dataType="xsd:double" dictRef="x:charge" size="42">-0.539906 -0.135636 -1.118690 0.341215 0.581628 -0.262721 -0.050104 0.152015 0.139954 0.135618 0.138620 -0.469613 0.146642 0.107153 -0.105698 -0.296641 0.151192 0.118880 0.123611 0.131980 -0.487166 0.397344 0.124787 0.151769 0.142492 -0.351733 0.157527 0.150194 0.160272 0.139363 0.139806 -0.205769 0.145040 0.138910 -0.477953 0.352463 -0.470270 0.372884 -0.335388 0.143909 0.160638 0.161378</array>
</list>
<scalar dataType="xsd:double" dictRef="x:chargesum">-0.00000</scalar>
</module>
</property>
<property dictRef="cc:popanal">
<module cmlx:templateRef="l601.popanal">
<array dataType="xsd:double" dictRef="g:alphaocc" size="69">-19.17599 -19.16272 -19.14921 -10.25230 -10.23325 -10.22986 -10.20734 -10.20659 -10.20136 -10.19818 -10.19438 -10.19419 -10.19000 -10.18614 -10.18543 -10.18363 -10.17883 -10.17006 -1.04064 -1.02685 -1.01351 -0.87710 -0.82431 -0.78534 -0.76723 -0.75095 -0.71140 -0.68772 -0.68038 -0.67006 -0.64372 -0.61536 -0.60764 -0.55129 -0.54751 -0.53439 -0.51309 -0.50487 -0.49267 -0.47270 -0.46673 -0.46267 -0.45445 -0.44866 -0.44192 -0.42965 -0.42143 -0.41634 -0.40229 -0.39780 -0.39354 -0.38484 -0.38141 -0.37828 -0.37119 -0.36672 -0.35935 -0.34935 -0.33363 -0.32717 -0.31698 -0.31551 -0.30886 -0.30334 -0.29904 -0.28692 -0.27531 -0.27080 -0.25569</array>
<array dataType="xsd:double" dictRef="g:alphavirt" size="393">-0.01462 -0.00058 0.00482 0.01108 0.01460 0.02649 0.02885 0.03252 0.03327 0.03850 0.05351 0.05485 0.05818 0.06029 0.06610 0.06666 0.07218 0.07921 0.08280 0.09134 0.09251 0.09626 0.10233 0.10245 0.10626 0.11181 0.11661 0.12440 0.13205 0.13444 0.13628 0.14075 0.14334 0.14704 0.14941 0.15246 0.15640 0.16149 0.16226 0.16498 0.16681 0.17419 0.17565 0.17907 0.18047 0.18375 0.18889 0.19114 0.19576 0.19869 0.20197 0.20697 0.20779 0.20856 0.21737 0.22123 0.22388 0.22600 0.22870 0.23287 0.23499 0.23667 0.23981 0.24408 0.24534 0.25237 0.25442 0.25596 0.25753 0.26479 0.26936 0.26980 0.27351 0.27607 0.28217 0.28321 0.28466 0.28858 0.29331 0.29727 0.30218 0.31106 0.31533 0.31789 0.32046 0.32574 0.32783 0.33074 0.33522 0.34210 0.34446 0.34964 0.35366 0.36095 0.36562 0.36970 0.38184 0.38377 0.38671 0.39362 0.39876 0.40011 0.41478 0.42184 0.42508 0.43264 0.44198 0.44493 0.45382 0.46184 0.46822 0.48020 0.49885 0.50460 0.52222 0.53470 0.55982 0.64294 0.65683 0.66101 0.67695 0.68168 0.69636 0.70552 0.71603 0.72203 0.72858 0.74390 0.74834 0.75531 0.76123 0.76670 0.77260 0.78196 0.78525 0.79794 0.79964 0.81872 0.82463 0.82739 0.83499 0.84293 0.85577 0.87727 0.88809 0.89643 0.89982 0.90272 0.91830 0.92766 0.93651 0.95149 0.96069 0.96239 0.97500 0.98564 0.99245 1.00393 1.02053 1.02148 1.03101 1.03397 1.04492 1.05050 1.05230 1.06077 1.06372 1.07879 1.08269 1.09311 1.10086 1.10620 1.13095 1.13752 1.14379 1.15752 1.16095 1.17135 1.17466 1.17948 1.19664 1.20031 1.21726 1.23093 1.24092 1.25316 1.27157 1.28087 1.28939 1.30533 1.31920 1.32683 1.33670 1.34166 1.35532 1.36939 1.37702 1.39858 1.40805 1.42708 1.43230 1.44103 1.45675 1.47534 1.47992 1.49091 1.51326 1.52621 1.53643 1.56732 1.57653 1.58234 1.59738 1.61961 1.63636 1.66121 1.66848 1.67786 1.68310 1.71116 1.71733 1.72810 1.74601 1.74980 1.75740 1.76775 1.77460 1.79106 1.81533 1.82374 1.82959 1.84156 1.84658 1.85902 1.86731 1.87552 1.88416 1.90313 1.91078 1.92418 1.93175 1.94040 1.94680 1.95596 1.96657 1.97850 1.97960 1.98763 1.99686 2.01632 2.02080 2.04058 2.05033 2.05083 2.05837 2.06852 2.08198 2.08996 2.10300 2.10762 2.11291 2.12293 2.12590 2.14934 2.15975 2.17051 2.17837 2.18818 2.19761 2.20886 2.22564 2.23603 2.24384 2.27246 2.28551 2.30223 2.30600 2.32151 2.32598 2.33166 2.35503 2.36381 2.37369 2.39260 2.40329 2.40696 2.41323 2.43026 2.44531 2.45926 2.46257 2.47433 2.48260 2.49944 2.50595 2.52027 2.52671 2.53473 2.54748 2.56505 2.57267 2.59067 2.59906 2.60741 2.62141 2.63257 2.65337 2.65976 2.66595 2.67581 2.68229 2.69765 2.69836 2.70717 2.72320 2.73752 2.74602 2.75050 2.75798 2.77040 2.78485 2.79020 2.79622 2.80836 2.81910 2.83588 2.84005 2.84727 2.86274 2.86782 2.87909 2.89285 2.89710 2.90602 2.91637 2.92307 2.94114 2.94195 2.95327 2.96307 2.98728 2.99528 3.02640 3.04541 3.05354 3.09209 3.11672 3.12045 3.15913 3.18193 3.20490 3.29591 3.31399 3.34512 3.36581 3.38194 3.38660 3.38830 3.39738 3.44717 3.45924 3.46579 3.48095 3.49410 3.49696 3.51555 3.53481 3.55273 3.56756 3.57598 3.58181 3.60352 3.60733 3.65765 3.66125 4.35330 4.40367 4.46325 4.48725 4.51446 4.53948 4.57349 4.57692 4.62495 4.66541 4.69675 4.71638 4.78388 4.83070 4.86224 4.91157 5.02471 5.11694</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="42">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</array>
<array dataType="xsd:string" dictRef="cc:elementType" size="42">C C C C C C C H H H H C H C C C H C H H O H H H H C H H H H H C H H O H O H C H H H</array>
<array dataType="xsd:double" dictRef="x:charge" size="42">-0.541017 -0.117427 -1.074683 0.347094 0.556432 -0.259518 -0.057144 0.152017 0.139793 0.135762 0.138855 -0.489649 0.147976 0.112662 -0.087938 -0.313191 0.150654 0.113178 0.125046 0.132130 -0.490276 0.395137 0.126259 0.149374 0.142392 -0.353975 0.157522 0.150025 0.160377 0.139855 0.139891 -0.199955 0.146196 0.139677 -0.486368 0.353593 -0.476724 0.370972 -0.340816 0.144513 0.161006 0.160295</array>
</list>
<scalar dataType="xsd:double" dictRef="x:chargesum">-0.00000</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">-1.9570 4.5895 1.8439</array>
<scalar dataType="xsd:double" dictRef="x:dipole">5.3191</scalar>
<array dataType="xsd:double" dictRef="cc:quadrupole" size="3">-125.2001 -125.8424 -105.2957</array>
<array dataType="xsd:double" dictRef="cc:quadrupole" size="3">-4.4221 6.5294 -2.7186</array>
<array dataType="xsd:double" dictRef="cc:quadrupole" size="6">-6.4207 -7.0630 13.4837 -4.4221 6.5294 -2.7186</array>
<array dataType="xsd:double" dictRef="cc:octapole" size="10">-58.5469 54.9969 -12.8694 4.3699 0.3067 29.5972 1.6065 -9.3646 10.2344 5.5422</array>
<array dataType="xsd:double" dictRef="cc:hexadecapole" size="15">-2886.0090 -2353.7883 -648.4688 -46.3701 121.0337 -14.0587 -19.8344 28.5367 15.3387 -793.6619 -498.4787 -457.6759 8.6086 7.9886 29.5312</array>
</list>
</property>
<property dictRef="cc:virtualorbs">
<array dataType="xsd:string" delimiter="|" size="393">(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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="393">(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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="69">(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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="69">(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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">-811.7919967</scalar>
<scalar dataType="xsd:double" dictRef="cc:rmsd" units="nonsi:unknown">5.717E-9</scalar>
<scalar dataType="xsd:double" dictRef="cc:rmsf" units="nonsi:unknown">4.011E-6</scalar>
<scalar dataType="xsd:string" dictRef="x:Quadrupole">-4.6394462,-5.4056129,10.0450591,-3.2625668,4.8837474,-1.8894607</scalar>
<scalar dataType="xsd:string" dictRef="cc:pointgroup">C01 [X(C15H24O3)]</scalar>
<array dataType="xsd:double" dictRef="cc:dipole" size="3" units="nonsi:debye">-0.8114571 1.7890516 0.7212316</array>
</module>
</module>
<molecule formalCharge="0" id="mol9999" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="-0.24537064" y3="1.54980926" z3="1.31205813">
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.0" size="3">0.000001108 0.000008749 0.000000722</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.1" size="3">-0.000001350 -0.000000736 0.000003938</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.2" size="3">0.000004875 0.000004400 0.000000190</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.3" size="3">-0.000000950 0.000001235 -0.000001897</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.4" size="3">-0.000004764 -0.000012015 -0.000013697</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.5" size="3">-0.000003976 0.000000581 -0.000001316</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.6" size="3">0.000001569 0.000005915 0.000004731</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.7" size="3">0.000002535 0.000002719 -0.000002063</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.8" size="3">-0.000000439 0.000001473 -0.000003238</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.9" size="3">0.000000992 0.000003455 -0.000000002</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.10" size="3">0.000002264 0.000002732 0.000005256</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.11" size="3">0.000000063 -0.000002373 -0.000001048</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.12" size="3">0.000000487 -0.000003965 0.000001035</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.13" size="3">0.000002089 0.000002662 0.000002630</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.14" size="3">-0.000000511 -0.000006445 0.000003595</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.15" size="3">-0.000000126 -0.000002976 -0.000004022</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.16" size="3">0.000000059 -0.000001127 -0.000000655</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.17" size="3">0.000004302 -0.000002822 0.000006594</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.18" size="3">0.000001114 0.000004163 0.000002985</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.19" size="3">0.000003050 0.000001970 0.000004303</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.20" size="3">-0.000006219 0.000010889 -0.000005442</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.21" size="3">0.000000122 -0.000004389 0.000009296</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.22" size="3">0.000000003 -0.000000398 -0.000002789</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.23" size="3">-0.000000726 -0.000002355 0.000000027</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.24" size="3">0.000000774 -0.000000312 -0.000002161</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.25" size="3">0.000001636 0.000000051 -0.000003298</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.26" size="3">0.000001316 -0.000000261 -0.000003862</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.27" size="3">-0.000001016 -0.000000428 -0.000004206</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.28" size="3">-0.000000299 -0.000001895 -0.000002596</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.29" size="3">0.000000726 0.000000747 0.000003171</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.30" size="3">0.000000159 -0.000000433 0.000000834</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.31" size="3">-0.000001389 0.000005728 -0.000008522</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.32" size="3">-0.000002444 -0.000003795 -0.000001728</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.33" size="3">-0.000002425 -0.000002918 -0.000002555</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.34" size="3">0.000004029 -0.000003679 -0.000003099</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.35" size="3">-0.000001611 0.000002788 -0.000005422</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.36" size="3">0.000002384 0.000002270 0.000016179</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.37" size="3">0.000001806 -0.000003746 0.000005562</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.38" size="3">-0.000005268 0.000004189 -0.000007212</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.39" size="3">-0.000003120 -0.000002827 0.000004227</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.40" size="3">-0.000000661 -0.000001971 0.000001854</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.41" size="3">-0.000000169 -0.000004849 0.000003701</array>
</property>
</atom>
<atom elementType="C" id="a2" x3="-0.03213065" y3="0.01965501" z3="1.54202512"/>
<atom elementType="C" id="a3" x3="-0.6565114" y3="-0.85284005" z3="0.40588055"/>
<atom elementType="C" id="a4" x3="-0.78546449" y3="1.94650567" z3="-0.0990194"/>
<atom elementType="C" id="a5" x3="-2.20441235" y3="-0.72480125" z3="0.20511769"/>
<atom elementType="C" id="a6" x3="-2.29170903" y3="1.78718124" z3="-0.04627517"/>
<atom elementType="C" id="a7" x3="-2.89268685" y3="0.60680369" z3="0.10701634"/>
<atom elementType="H" id="a8" x3="-0.93873437" y3="1.95034646" z3="2.05784482"/>
<atom elementType="H" id="a9" x3="0.70577756" y3="2.06502616" z3="1.48456025"/>
<atom elementType="H" id="a10" x3="-0.4065952" y3="-0.26457853" z3="2.53180069"/>
<atom elementType="H" id="a11" x3="-2.65963753" y3="-1.24786908" z3="1.05398975"/>
<atom elementType="C" id="a12" x3="-0.22062568" y3="1.02942526" z3="-1.23797576"/>
<atom elementType="H" id="a13" x3="-1.00839096" y3="0.90170473" z3="-1.98745797"/>
<atom elementType="C" id="a14" x3="0.25350025" y3="-0.36796378" z3="-0.76785521"/>
<atom elementType="C" id="a15" x3="1.71673672" y3="-0.39321959" z3="-0.1571428"/>
<atom elementType="C" id="a16" x3="1.47618034" y3="-0.30056205" z3="1.38840244"/>
<atom elementType="H" id="a17" x3="1.75017728" y3="-1.23244762" z3="1.88910279"/>
<atom elementType="C" id="a18" x3="-0.45400074" y3="-2.36365386" z3="0.75224131"/>
<atom elementType="H" id="a19" x3="-1.17004685" y3="-2.62653447" z3="1.54588832"/>
<atom elementType="H" id="a20" x3="0.53540974" y3="-2.56274897" z3="1.15343077"/>
<atom elementType="O" id="a21" x3="-0.60116475" y3="-3.24884558" z3="-0.36019245"/>
<atom elementType="H" id="a22" x3="-1.41326961" y3="-2.96888669" z3="-0.82052348"/>
<atom elementType="H" id="a23" x3="2.08228875" y3="0.47824979" z3="1.86474008"/>
<atom elementType="H" id="a24" x3="0.21265228" y3="-1.05322778" z3="-1.61900462"/>
<atom elementType="H" id="a25" x3="0.58243283" y3="1.54620469" z3="-1.76786605"/>
<atom elementType="C" id="a26" x3="-0.44459369" y3="3.41809265" z3="-0.38751559"/>
<atom elementType="H" id="a27" x3="-0.85522081" y3="4.07457758" z3="0.38863937"/>
<atom elementType="H" id="a28" x3="0.63884059" y3="3.57194139" z3="-0.42132815"/>
<atom elementType="H" id="a29" x3="-0.8617515" y3="3.73164107" z3="-1.35159386"/>
<atom elementType="H" id="a30" x3="-3.97832968" y3="0.54618979" z3="0.15286322"/>
<atom elementType="H" id="a31" x3="-2.89725995" y3="2.69121714" z3="-0.10128299"/>
<atom elementType="C" id="a32" x3="2.58928685" y3="0.79256386" z3="-0.63052651"/>
<atom elementType="H" id="a33" x3="2.65323165" y3="0.80194509" z3="-1.72316016"/>
<atom elementType="H" id="a34" x3="2.16589584" y3="1.7493379" z3="-0.30652518"/>
<atom elementType="O" id="a35" x3="3.95087256" y3="0.70584851" z3="-0.18339912"/>
<atom elementType="H" id="a36" x3="3.96698892" y3="0.75399237" z3="0.78247372"/>
<atom elementType="O" id="a37" x3="-2.63075635" y3="-1.53999471" z3="-0.93785085"/>
<atom elementType="H" id="a38" x3="-2.48097852" y3="-1.02527248" z3="-1.74461114"/>
<atom elementType="C" id="a39" x3="2.45136148" y3="-1.68584291" z3="-0.57309455"/>
<atom elementType="H" id="a40" x3="2.70545924" y3="-1.64772389" z3="-1.63927274"/>
<atom elementType="H" id="a41" x3="3.383468" y3="-1.79866364" z3="-0.01253525"/>
<atom elementType="H" id="a42" x3="1.83981874" y3="-2.57494539" z3="-0.41745435"/>
</atomArray>
<bondArray/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">228.1587</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/15C.3O.24H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;2;3;4;5;6;7;12;14;15;16;18;26;32;39;21;35;37;8;9;10;11;13;17;19;20;22;23;24;25;27;28;29;30;31;33;34;36;38;40;41;42/rA:42nC0C0C0C0C0C0C0H0H0H0H0C0H0C0C0C0H0C0H0H0O0H0H0H0H0C0H0H0H0H0H0C0H0H0O0H0O0H0C0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2454,1.5498,1.3121;-.0321,.0197,1.542;-.6565,-.8528,.4059;-.7855,1.9465,-.099;-2.2044,-.7248,.2051;-2.2917,1.7872,-.0463;-2.8927,.6068,.107;-.9387,1.9503,2.0578;.7058,2.065,1.4846;-.4066,-.2646,2.5318;-2.6596,-1.2479,1.054;-.2206,1.0294,-1.238;-1.0084,.9017,-1.9875;.2535,-.368,-.7679;1.7167,-.3932,-.1571;1.4762,-.3006,1.3884;1.7502,-1.2324,1.8891;-.454,-2.3637,.7522;-1.17,-2.6265,1.5459;.5354,-2.5627,1.1534;-.6012,-3.2488,-.3602;-1.4133,-2.9689,-.8205;2.0823,.4782,1.8647;.2127,-1.0532,-1.619;.5824,1.5462,-1.7679;-.4446,3.4181,-.3875;-.8552,4.0746,.3886;.6388,3.5719,-.4213;-.8618,3.7316,-1.3516;-3.9783,.5462,.1529;-2.8973,2.6912,-.1013;2.5893,.7926,-.6305;2.6532,.8019,-1.7232;2.1659,1.7493,-.3065;3.9509,.7058,-.1834;3.967,.754,.7825;-2.6308,-1.54,-.9379;-2.481,-1.0253,-1.7446;2.4514,-1.6858,-.5731;2.7055,-1.6477,-1.6393;3.3835,-1.7987,-.0125;1.8398,-2.5749,-.4175;</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-3-24</scalar>
</parameter>
<parameter dictRef="cc:jobname">
<scalar dataType="xsd:string">ASR04</scalar>
</parameter>
<parameter dictRef="cc:title">
<scalar dataType="xsd:string">Title</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">120</scalar>
</parameter>
<parameter dictRef="cc:frameworkgroup">
<scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C15H24O3)]</scalar>
</parameter>
<parameter dictRef="cc:method">
<scalar dataType="xsd:string">RB3LYP</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">RB3LYP/6-31+G(d,p)</scalar>
</parameter>
<parameter dictRef="g:keyword">
<scalar dataType="xsd:string">Freq</scalar>
</parameter>
</parameterList>
<molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="-0.245371" y3="1.549809" z3="1.312058">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a2" x3="-0.032131" y3="0.019655" z3="1.542025">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="-0.656511" y3="-0.85284" z3="0.405881">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="-0.785464" y3="1.946506" z3="-0.099019">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a5" x3="-2.204412" y3="-0.724801" z3="0.205118">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a6" x3="-2.291709" y3="1.787181" z3="-0.046275">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a7" x3="-2.892687" y3="0.606804" z3="0.107016">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a8" x3="-0.938734" y3="1.950346" z3="2.057845">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a9" x3="0.705778" y3="2.065026" z3="1.48456">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a10" x3="-0.406595" y3="-0.264579" z3="2.531801">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a11" x3="-2.659638" y3="-1.247869" z3="1.05399">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a12" x3="-0.220626" y3="1.029425" z3="-1.237976">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a13" x3="-1.008391" y3="0.901705" z3="-1.987458">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a14" x3="0.2535" y3="-0.367964" z3="-0.767855">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a15" x3="1.716737" y3="-0.39322" z3="-0.157143">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a16" x3="1.47618" y3="-0.300562" z3="1.388402">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a17" x3="1.750177" y3="-1.232448" z3="1.889103">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a18" x3="-0.454001" y3="-2.363654" z3="0.752241">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a19" x3="-1.170047" y3="-2.626534" z3="1.545888">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a20" x3="0.53541" y3="-2.562749" z3="1.153431">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a21" x3="-0.601165" y3="-3.248846" z3="-0.360192">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a22" x3="-1.41327" y3="-2.968887" z3="-0.820523">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a23" x3="2.082289" y3="0.47825" z3="1.86474">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a24" x3="0.212652" y3="-1.053228" z3="-1.619005">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a25" x3="0.582433" y3="1.546205" z3="-1.767866">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a26" x3="-0.444594" y3="3.418093" z3="-0.387516">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a27" x3="-0.855221" y3="4.074578" z3="0.388639">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a28" x3="0.638841" y3="3.571941" z3="-0.421328">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a29" x3="-0.861751" y3="3.731641" z3="-1.351594">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a30" x3="-3.97833" y3="0.54619" z3="0.152863">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a31" x3="-2.89726" y3="2.691217" z3="-0.101283">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a32" x3="2.589287" y3="0.792564" z3="-0.630527">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a33" x3="2.653232" y3="0.801945" z3="-1.72316">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a34" x3="2.165896" y3="1.749338" z3="-0.306525">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a35" x3="3.950873" y3="0.705849" z3="-0.183399">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a36" x3="3.966989" y3="0.753992" z3="0.782474">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a37" x3="-2.630756" y3="-1.539995" z3="-0.937851">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a38" x3="-2.480979" y3="-1.025272" z3="-1.744611">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a39" x3="2.451361" y3="-1.685843" z3="-0.573095">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a40" x3="2.705459" y3="-1.647724" z3="-1.639273">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a41" x3="3.383468" y3="-1.798664" z3="-0.012535">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a42" x3="1.839819" y3="-2.574945" z3="-0.417454">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C15H24O3"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">228.1587</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/15C.3O.24H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;2;3;4;5;6;7;12;14;15;16;18;26;32;39;21;35;37;8;9;10;11;13;17;19;20;22;23;24;25;27;28;29;30;31;33;34;36;38;40;41;42/rA:42nC0C0C0C0C0C0C0H0H0H0H0C0H0C0C0C0H0C0H0H0O0H0H0H0H0C0H0H0H0H0H0C0H0H0O0H0O0H0C0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2454,1.5498,1.3121;-.0321,.0197,1.542;-.6565,-.8528,.4059;-.7855,1.9465,-.099;-2.2044,-.7248,.2051;-2.2917,1.7872,-.0463;-2.8927,.6068,.107;-.9387,1.9503,2.0578;.7058,2.065,1.4846;-.4066,-.2646,2.5318;-2.6596,-1.2479,1.054;-.2206,1.0294,-1.238;-1.0084,.9017,-1.9875;.2535,-.368,-.7679;1.7167,-.3932,-.1571;1.4762,-.3006,1.3884;1.7502,-1.2324,1.8891;-.454,-2.3637,.7522;-1.17,-2.6265,1.5459;.5354,-2.5627,1.1534;-.6012,-3.2488,-.3602;-1.4133,-2.9689,-.8205;2.0823,.4783,1.8647;.2127,-1.0532,-1.619;.5824,1.5462,-1.7679;-.4446,3.4181,-.3875;-.8552,4.0746,.3886;.6388,3.5719,-.4213;-.8618,3.7316,-1.3516;-3.9783,.5462,.1529;-2.8973,2.6912,-.1013;2.5893,.7926,-.6305;2.6532,.8019,-1.7232;2.1659,1.7493,-.3065;3.9509,.7058,-.1834;3.967,.754,.7825;-2.6308,-1.54,-.9379;-2.481,-1.0253,-1.7446;2.4514,-1.6858,-.5731;2.7055,-1.6477,-1.6393;3.3835,-1.7987,-.0125;1.8398,-2.5749,-.4175;</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</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 =  0 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="44">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</array>
<array dataType="xsd:integer" dictRef="g:atom1" size="44">1 1 1 1 2 2 2 3 3 3 4 4 4 5 5 5 6 6 7 12 12 12 14 14 15 15 15 16 16 18 18 18 21 26 26 26 32 32 32 35 37 39 39 39</array>
<array dataType="xsd:integer" dictRef="g:atom2" size="44">2 4 8 9 3 10 16 5 14 18 6 12 26 7 11 37 7 31 30 13 14 25 15 24 16 32 39 17 23 19 20 21 22 27 28 29 33 34 35 36 38 40 41 42</array>
<array dataType="xsd:double" dictRef="cc:distance" size="44">1.562 1.5621 1.0942 1.0954 1.5627 1.0958 1.5496 1.5661 1.5623 1.5632 1.5156 1.5676 1.5379 1.5022 1.0961 1.4672 1.3334 1.0895 1.0883 1.0948 1.5487 1.0921 1.5858 1.0935 1.5669 1.5465 1.5439 1.0928 1.0958 1.1008 1.0861 1.4292 0.9746 1.0964 1.0948 1.0963 1.0945 1.0953 1.4357 0.9672 0.9686 1.0967 1.0935 1.0903</array>
<array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="44">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="87">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 A85 A86 A87</array>
<array dataType="xsd:integer" dictRef="g:atom1" size="87">2 2 2 4 4 8 1 1 1 3 3 10 2 2 2 5 5 14 1 1 1 6 6 12 3 3 3 7 7 11 4 4 7 5 5 6 4 4 4 13 13 14 3 3 3 12 12 15 14 14 14 16 16 32 2 2 2 15 15 17 3 3 3 19 19 20 18 4 4 4 27 27 28 15 15 15 33 33 34 32 5 15 15 15 40 40 41</array>
<array dataType="xsd:integer" dictRef="g:atom2" size="87">1 1 1 1 1 1 2 2 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 7 7 7 12 12 12 12 12 12 14 14 14 14 14 14 15 15 15 15 15 15 16 16 16 16 16 16 18 18 18 18 18 18 21 26 26 26 26 26 26 32 32 32 32 32 32 35 37 39 39 39 39 39 39</array>
<array dataType="xsd:integer" dictRef="g:atom3" size="87">4 8 9 8 9 9 3 10 16 10 16 16 5 14 18 14 18 18 6 12 26 12 26 26 7 11 37 11 37 37 7 31 31 6 30 30 13 14 25 14 25 25 12 15 24 15 24 24 16 32 39 32 39 39 15 17 23 17 23 23 19 20 21 20 21 21 22 27 28 29 28 29 29 33 34 35 34 35 35 36 38 40 41 42 41 42 42</array>
<array dataType="xsd:double" dictRef="cc:angle" size="87">115.4023 110.1662 108.605 107.6751 108.8459 105.7063 112.667 109.9042 108.7072 112.0466 101.6226 111.6288 116.2617 98.0595 109.073 117.0017 103.6191 113.0143 106.5879 112.5303 109.6229 108.7775 109.1119 110.0995 122.2561 105.7949 109.977 106.4579 107.9693 102.5611 123.0246 117.6069 119.3303 125.8539 113.8877 120.2488 107.8408 114.6847 109.9165 108.8341 104.6044 110.4337 109.2545 104.0748 111.6247 114.4414 108.5256 108.9207 103.7254 112.9873 110.404 110.073 112.8494 106.9202 105.0372 112.0154 110.3909 111.2859 112.6981 105.5582 107.8361 112.151 114.3806 106.4091 110.2604 105.5324 105.9935 110.9259 111.0762 110.7521 107.9605 107.9866 108.0121 110.1885 111.1709 113.1688 108.083 104.8326 109.1005 108.8924 107.978 110.0638 110.724 112.1734 107.7249 107.2824 108.7112</array>
<array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="87">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>
<list cmlx:templateRef="dihed">
<array dataType="xsd:string" dictRef="g:symbol" size="151">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 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 D139 D140 D141 D142 D143 D144 D145 D146 D147 D148 D149 D150 D151</array>
<array dataType="xsd:integer" dictRef="g:atom1" size="151">4 4 4 8 8 8 9 9 9 2 2 2 8 8 8 9 9 9 1 1 1 10 10 10 16 16 16 1 1 1 3 3 3 10 10 10 2 2 2 14 14 14 18 18 18 2 2 2 5 5 5 18 18 18 2 2 2 5 5 5 14 14 14 1 1 12 12 26 26 1 1 1 6 6 6 26 26 26 1 1 1 6 6 6 12 12 12 3 3 11 11 37 37 3 7 11 4 4 31 31 4 4 4 13 13 13 25 25 25 3 3 3 12 12 12 24 24 24 14 14 14 32 32 32 39 39 39 14 14 14 16 16 16 39 39 39 14 14 14 16 16 16 32 32 32 3 19 20 15 33 34</array>
<array dataType="xsd:integer" dictRef="g:atom2" size="151">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 2 2 2 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 6 6 6 6 12 12 12 12 12 12 12 12 12 14 14 14 14 14 14 14 14 14 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 18 18 18 32 32 32</array>
<array dataType="xsd:integer" dictRef="g:atom3" size="151">2 2 2 2 2 2 2 2 2 4 4 4 4 4 4 4 4 4 3 3 3 3 3 3 3 3 3 16 16 16 16 16 16 16 16 16 5 5 5 5 5 5 5 5 5 14 14 14 14 14 14 14 14 14 18 18 18 18 18 18 18 18 18 6 6 6 6 6 6 12 12 12 12 12 12 12 12 12 26 26 26 26 26 26 26 26 26 7 7 7 7 7 7 37 37 37 7 7 7 7 14 14 14 14 14 14 14 14 14 15 15 15 15 15 15 15 15 15 16 16 16 16 16 16 16 16 16 32 32 32 32 32 32 32 32 32 39 39 39 39 39 39 39 39 39 21 21 21 35 35 35</array>
<array dataType="xsd:integer" dictRef="g:atom4" size="151">3 10 16 3 10 16 3 10 16 6 12 26 6 12 26 6 12 26 5 14 18 5 14 18 5 14 18 15 17 23 15 17 23 15 17 23 7 11 37 7 11 37 7 11 37 12 15 24 12 15 24 12 15 24 19 20 21 19 20 21 19 20 21 7 31 7 31 7 31 13 14 25 13 14 25 13 14 25 27 28 29 27 28 29 27 28 29 6 30 6 30 6 30 38 38 38 5 30 5 30 3 15 24 3 15 24 3 15 24 16 32 39 16 32 39 16 32 39 2 17 23 2 17 23 2 17 23 33 34 35 33 34 35 33 34 35 40 41 42 40 41 42 40 41 42 22 22 22 36 36 36</array>
<array dataType="xsd:double" dictRef="cc:dihed" size="151">-10.9281 -136.6493 100.9062 111.2445 -14.4767 -136.9211 -133.4199 100.859 -21.5855 83.7071 -35.4493 -158.3298 -39.7889 -158.9454 78.1741 -153.9297 86.9139 -35.9666 -60.7441 64.7901 -177.386 63.8099 -170.6559 -52.832 -176.8961 -51.3619 66.462 -80.5907 158.4732 41.1536 38.4241 -82.512 160.1683 158.0147 37.0786 -80.2411 48.7 -73.0815 176.8395 -66.5699 171.6486 61.5696 168.3345 46.5529 -63.526 -77.2062 45.4379 162.7602 47.8034 170.4475 -72.2302 168.0401 -69.3158 48.0065 75.1197 -41.7133 -161.8411 -49.3163 -166.1493 73.7229 -176.9392 66.2278 -53.9 -65.8767 111.8588 55.6949 -126.5696 175.8244 -6.4402 144.9886 23.5774 -101.5367 27.1171 -94.294 140.5918 -92.3986 146.1902 21.0761 -57.1004 62.9771 -176.9961 59.279 179.3564 -60.6168 178.5912 -61.3314 58.6954 11.7929 -169.3394 133.2631 -47.8692 -117.2122 61.6554 -83.0568 52.5776 164.7507 -2.0609 179.1377 -179.7591 1.4394 33.9118 -82.3013 155.8323 -86.9544 156.8325 34.9662 158.7544 42.5413 -79.3251 -22.6183 -141.7878 98.5355 96.5505 -22.619 -142.2957 -141.7995 99.0311 -20.6457 -9.6754 111.7393 -129.9027 111.473 -127.1123 -8.7543 -129.1716 -7.7569 110.6011 -57.4049 62.4004 -174.4082 -172.8356 -53.0302 70.1612 64.2563 -175.9383 -52.7469 71.4022 -169.6034 -47.9636 -173.038 -54.0436 67.5962 -51.8744 67.1199 -171.2402 -46.3838 75.3352 -170.1372 -63.6913 176.1991 60.6359</array>
<array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="151">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|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="120">0.00234 0.00294 0.00307 0.00408 0.00473 0.00500 0.00646 0.00700 0.00918 0.00931 0.01153 0.01659 0.01758 0.02144 0.02427 0.02659 0.02948 0.03169 0.03310 0.03904 0.03940 0.03983 0.04039 0.04109 0.04250 0.04489 0.04517 0.04577 0.04608 0.04659 0.04695 0.04865 0.04937 0.04992 0.05187 0.05489 0.05851 0.06056 0.06079 0.06354 0.06620 0.06720 0.07075 0.07245 0.07316 0.07552 0.07969 0.08067 0.08425 0.08820 0.09497 0.09996 0.10170 0.10258 0.10536 0.11609 0.11939 0.12179 0.12221 0.12390 0.12609 0.13139 0.14464 0.14753 0.14890 0.15202 0.15538 0.15886 0.16230 0.16760 0.16952 0.17437 0.18551 0.18870 0.19745 0.20160 0.21159 0.22311 0.22637 0.23011 0.23241 0.24156 0.24326 0.24907 0.26622 0.27193 0.27537 0.28767 0.29357 0.30119 0.30756 0.31197 0.31364 0.32532 0.32779 0.33030 0.33111 0.33168 0.33265 0.33281 0.33400 0.33510 0.33651 0.33695 0.33754 0.33991 0.34192 0.34310 0.34572 0.35076 0.35149 0.35382 0.35904 0.36343 0.38052 0.43361 0.48724 0.51868 0.52311 0.57788</array>
<array cmlx:templateRef="junk" dataType="xsd:string" dictRef="x:junk1" size="8">Angle between quadratic step and forces= 72.92 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">0.00010281 0.00000002</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="282">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 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 A85 A86 A87 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 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 D139 D140 D141 D142 D143 D144 D145 D146 D147 D148 D149 D150 D151</array>
<array dataType="xsd:double" dictRef="g:lastval" size="282">2.95168 2.95197 2.06783 2.06999 2.95301 2.07067 2.92825 2.95952 2.95238 2.95398 2.86400 2.96229 2.90612 2.83869 2.07131 2.77261 2.51977 2.05885 2.05659 2.06889 2.92664 2.06383 2.99667 2.06639 2.96100 2.92237 2.91751 2.06507 2.07079 2.08016 2.05235 2.70087 1.84168 2.07182 2.06892 2.07163 2.06839 2.06979 2.71316 1.82775 1.83044 2.07247 2.06645 2.06033 2.01415 1.92276 1.89551 1.87929 1.89972 1.84492 1.96641 1.91819 1.89730 1.95558 1.77365 1.94829 2.02915 1.71146 1.90368 2.04207 1.80849 1.97247 1.86031 1.96402 1.91328 1.89853 1.90436 1.92160 2.13377 1.84647 1.91946 1.85804 1.88442 1.79003 2.14718 2.05263 2.08271 2.19656 1.98771 2.09874 1.88218 2.00163 1.91840 1.89951 1.82569 1.92743 1.90685 1.81645 1.94822 1.99738 1.89413 1.90102 1.81035 1.97200 1.92691 1.92114 1.96959 1.86611 1.83324 1.95504 1.92668 1.94231 1.96695 1.84234 1.88209 1.95740 1.99632 1.85719 1.92441 1.84189 1.84993 1.93602 1.93865 1.93299 1.88427 1.88472 1.88517 1.92315 1.94030 1.97517 1.88640 1.82967 1.90416 1.90053 1.88457 1.92098 1.93250 1.95780 1.88015 1.87243 1.89737 -0.19073 -2.38498 1.76115 1.94158 -0.25267 -2.38972 -2.32862 1.76032 -0.37674 1.46096 -0.61871 -2.76338 -0.69445 -2.77412 1.36440 -2.68658 1.51693 -0.62774 -1.06019 1.13080 -3.09597 1.11369 -2.97851 -0.92209 -3.08742 -0.89643 1.15998 -1.40657 2.76588 0.71826 0.67063 -1.44011 2.79546 2.75788 0.64714 -1.40047 0.84998 -1.27551 3.08643 -1.16186 2.99583 1.07459 2.93799 0.81250 -1.10874 -1.34750 0.79304 2.84070 0.83433 2.97487 -1.26066 2.93285 -1.20979 0.83787 1.31109 -0.72803 -2.82466 -0.86073 -2.89985 1.28671 -3.08817 1.15589 -0.94073 -1.14976 1.95230 0.97206 -2.20906 3.06871 -0.11240 2.53053 0.41150 -1.77215 0.47328 -1.64574 2.45379 -1.61266 2.55150 0.36785 -0.99659 1.09916 -3.08917 1.03461 3.13036 -1.05796 3.11700 -1.07044 1.02443 0.20582 -2.95553 2.32588 -0.83547 -2.04574 1.07609 -1.44961 0.91765 2.87544 -0.03597 3.12654 -3.13739 0.02512 0.59187 -1.43643 2.71979 -1.51764 2.73724 0.61027 2.77079 0.74249 -1.38448 -0.39476 -2.47466 1.71977 1.68512 -0.39478 -2.48353 -2.47487 1.72842 -0.36033 -0.16887 1.95022 -2.26723 1.94557 -2.21853 -0.15279 -2.25447 -0.13538 1.93035 -1.00191 1.08909 -3.04400 -3.01655 -0.92555 1.22454 1.12148 -3.07070 -0.92061 1.24620 -2.96014 -0.83712 -3.02008 -0.94324 1.17978 -0.90538 1.17146 -2.98871 -0.80955 1.31485 -2.96945 -1.11162 3.07525 1.05830</array>
<array dataType="xsd:double" dictRef="cc:deriv" size="282">0.00001 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 -0.00001 -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 -0.00000 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 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00002 -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 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 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 0.00001 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 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -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</array>
<array dataType="xsd:double" dictRef="cc:delta.linear" size="282">0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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="282">0.00003 0.00000 -0.00000 -0.00000 -0.00001 -0.00000 0.00000 0.00000 -0.00002 0.00001 0.00001 0.00000 -0.00000 0.00002 0.00000 -0.00008 -0.00000 -0.00000 0.00000 -0.00000 -0.00001 0.00001 -0.00001 0.00000 -0.00001 0.00001 -0.00001 0.00000 -0.00001 -0.00001 -0.00000 -0.00001 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 0.00001 -0.00000 -0.00000 -0.00001 0.00001 0.00001 -0.00001 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00002 -0.00000 -0.00003 0.00002 -0.00005 0.00001 0.00003 0.00006 -0.00001 -0.00005 0.00001 -0.00001 -0.00001 0.00001 0.00000 0.00000 -0.00002 -0.00004 0.00005 -0.00003 0.00003 0.00002 -0.00000 0.00000 -0.00000 0.00002 -0.00002 -0.00001 0.00001 0.00000 -0.00001 -0.00003 0.00001 0.00002 0.00001 -0.00002 0.00000 0.00003 -0.00000 -0.00001 0.00000 -0.00005 0.00002 0.00003 -0.00001 0.00000 0.00000 -0.00001 0.00001 -0.00001 0.00000 0.00000 0.00000 0.00001 -0.00005 0.00000 0.00002 0.00001 -0.00002 -0.00000 0.00001 -0.00000 -0.00000 0.00000 0.00000 -0.00003 -0.00002 0.00000 0.00002 0.00002 0.00001 -0.00003 -0.00001 0.00001 -0.00003 0.00003 0.00001 0.00000 -0.00003 0.00005 0.00005 0.00002 0.00005 0.00005 0.00002 0.00005 0.00006 0.00003 -0.00004 -0.00004 -0.00003 -0.00004 -0.00004 -0.00003 -0.00004 -0.00005 -0.00003 -0.00010 -0.00003 -0.00007 -0.00010 -0.00003 -0.00007 -0.00010 -0.00003 -0.00007 0.00003 0.00005 0.00005 0.00002 0.00004 0.00004 0.00001 0.00003 0.00003 0.00014 0.00023 0.00022 0.00010 0.00020 0.00018 0.00013 0.00023 0.00021 0.00001 0.00003 0.00000 -0.00001 0.00001 -0.00001 -0.00001 0.00001 -0.00002 0.00006 0.00004 0.00005 0.00011 0.00009 0.00010 0.00007 0.00005 0.00006 0.00001 -0.00001 0.00001 -0.00002 0.00002 -0.00001 -0.00001 0.00003 0.00001 -0.00002 0.00002 0.00000 -0.00002 0.00001 -0.00001 -0.00000 -0.00001 -0.00000 0.00000 0.00000 0.00000 0.00002 0.00001 0.00002 -0.00012 -0.00007 -0.00023 -0.00018 -0.00021 -0.00016 0.00037 0.00040 0.00039 0.00004 -0.00001 0.00007 0.00002 -0.00001 -0.00001 -0.00001 -0.00000 0.00000 0.00001 -0.00001 -0.00000 0.00000 -0.00000 -0.00002 0.00000 0.00001 -0.00001 0.00001 0.00001 -0.00000 0.00002 -0.00002 -0.00004 -0.00004 -0.00006 -0.00008 -0.00008 -0.00004 -0.00006 -0.00006 -0.00003 -0.00004 -0.00003 -0.00002 -0.00003 -0.00003 -0.00004 -0.00005 -0.00004 -0.00007 -0.00007 -0.00010 -0.00006 -0.00006 -0.00009 -0.00002 -0.00002 -0.00005 -0.00052 -0.00054 -0.00052 -0.00045 -0.00043 -0.00047</array>
<array dataType="xsd:double" dictRef="cc:delta.total" size="282">0.00003 0.00000 -0.00000 -0.00000 -0.00001 -0.00000 0.00000 0.00000 -0.00002 0.00001 0.00001 0.00000 -0.00000 0.00002 0.00000 -0.00008 -0.00000 -0.00000 0.00000 -0.00000 -0.00001 0.00001 -0.00001 0.00000 -0.00001 0.00001 -0.00001 0.00000 -0.00001 -0.00001 -0.00000 -0.00001 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 0.00001 -0.00000 -0.00000 -0.00001 0.00001 0.00001 -0.00001 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00002 -0.00000 -0.00003 0.00002 -0.00005 0.00001 0.00003 0.00006 -0.00001 -0.00005 0.00001 -0.00001 -0.00001 0.00001 0.00000 0.00000 -0.00002 -0.00004 0.00005 -0.00003 0.00003 0.00002 -0.00000 0.00000 -0.00000 0.00002 -0.00002 -0.00001 0.00001 0.00000 -0.00001 -0.00003 0.00001 0.00002 0.00001 -0.00002 0.00000 0.00003 -0.00000 -0.00001 0.00000 -0.00005 0.00002 0.00003 -0.00001 0.00000 0.00000 -0.00001 0.00001 -0.00001 0.00000 0.00000 0.00000 0.00001 -0.00005 0.00000 0.00002 0.00001 -0.00002 -0.00000 0.00001 -0.00000 -0.00000 0.00000 0.00000 -0.00003 -0.00002 0.00000 0.00002 0.00002 0.00001 -0.00003 -0.00001 0.00001 -0.00003 0.00003 0.00001 0.00000 -0.00003 0.00005 0.00005 0.00002 0.00005 0.00005 0.00002 0.00005 0.00006 0.00003 -0.00004 -0.00004 -0.00003 -0.00004 -0.00004 -0.00003 -0.00004 -0.00005 -0.00003 -0.00010 -0.00003 -0.00007 -0.00010 -0.00003 -0.00007 -0.00010 -0.00003 -0.00007 0.00003 0.00005 0.00005 0.00002 0.00004 0.00004 0.00001 0.00003 0.00003 0.00014 0.00023 0.00022 0.00010 0.00020 0.00018 0.00013 0.00023 0.00021 0.00001 0.00003 0.00000 -0.00001 0.00001 -0.00001 -0.00001 0.00001 -0.00002 0.00006 0.00004 0.00005 0.00011 0.00009 0.00010 0.00007 0.00005 0.00006 0.00001 -0.00001 0.00001 -0.00002 0.00002 -0.00001 -0.00001 0.00003 0.00001 -0.00002 0.00002 0.00000 -0.00002 0.00001 -0.00001 -0.00000 -0.00001 -0.00000 0.00000 0.00000 0.00000 0.00002 0.00001 0.00002 -0.00012 -0.00007 -0.00023 -0.00018 -0.00021 -0.00016 0.00037 0.00040 0.00039 0.00004 -0.00001 0.00007 0.00002 -0.00001 -0.00001 -0.00001 -0.00000 0.00000 0.00001 -0.00001 -0.00000 0.00000 -0.00000 -0.00002 0.00000 0.00001 -0.00001 0.00001 0.00001 -0.00000 0.00002 -0.00002 -0.00004 -0.00004 -0.00006 -0.00008 -0.00008 -0.00004 -0.00006 -0.00006 -0.00003 -0.00004 -0.00003 -0.00002 -0.00003 -0.00003 -0.00004 -0.00005 -0.00004 -0.00007 -0.00007 -0.00010 -0.00006 -0.00006 -0.00009 -0.00002 -0.00002 -0.00005 -0.00052 -0.00054 -0.00052 -0.00045 -0.00043 -0.00047</array>
<array dataType="xsd:double" dictRef="cc:newval" size="282">2.95171 2.95198 2.06783 2.06999 2.95300 2.07067 2.92825 2.95952 2.95236 2.95400 2.86401 2.96230 2.90612 2.83871 2.07132 2.77253 2.51976 2.05884 2.05659 2.06889 2.92663 2.06383 2.99666 2.06639 2.96099 2.92239 2.91749 2.06507 2.07079 2.08016 2.05235 2.70087 1.84166 2.07182 2.06892 2.07162 2.06838 2.06979 2.71317 1.82775 1.83044 2.07245 2.06645 2.06034 2.01414 1.92277 1.89552 1.87929 1.89972 1.84493 1.96641 1.91819 1.89732 1.95558 1.77362 1.94831 2.02910 1.71147 1.90371 2.04213 1.80848 1.97242 1.86032 1.96401 1.91327 1.89853 1.90436 1.92160 2.13375 1.84643 1.91951 1.85801 1.88445 1.79005 2.14718 2.05263 2.08270 2.19659 1.98770 2.09873 1.88219 2.00163 1.91840 1.89948 1.82570 1.92745 1.90686 1.81643 1.94822 1.99740 1.89413 1.90101 1.81035 1.97195 1.92693 1.92117 1.96959 1.86611 1.83325 1.95503 1.92670 1.94229 1.96696 1.84234 1.88210 1.95742 1.99627 1.85719 1.92442 1.84190 1.84991 1.93602 1.93865 1.93299 1.88426 1.88472 1.88517 1.92313 1.94028 1.97517 1.88642 1.82969 1.90417 1.90050 1.88457 1.92099 1.93247 1.95783 1.88016 1.87243 1.89733 -0.19068 -2.38493 1.76117 1.94163 -0.25261 -2.38970 -2.32856 1.76038 -0.37671 1.46093 -0.61875 -2.76341 -0.69448 -2.77417 1.36436 -2.68662 1.51689 -0.62777 -1.06028 1.13077 -3.09604 1.11359 -2.97854 -0.92216 -3.08752 -0.89647 1.15991 -1.40654 2.76593 0.71831 0.67065 -1.44006 2.79550 2.75789 0.64717 -1.40045 0.85011 -1.27528 3.08665 -1.16176 2.99604 1.07478 2.93812 0.81273 -1.10852 -1.34750 0.79307 2.84070 0.83432 2.97488 -1.26067 2.93284 -1.20978 0.83785 1.31115 -0.72799 -2.82461 -0.86062 -2.89976 1.28681 -3.08811 1.15594 -0.94068 -1.14975 1.95229 0.97207 -2.20907 3.06873 -0.11241 2.53052 0.41153 -1.77214 0.47327 -1.64572 2.45379 -1.61268 2.55151 0.36784 -0.99659 1.09915 -3.08917 1.03462 3.13036 -1.05796 3.11702 -1.07042 1.02444 0.20571 -2.95560 2.32566 -0.83565 -2.04594 1.07593 -1.44925 0.91805 2.87583 -0.03593 3.12653 -3.13732 0.02514 0.59186 -1.43644 2.71978 -1.51764 2.73725 0.61028 2.77078 0.74248 -1.38448 -0.39476 -2.47468 1.71977 1.68513 -0.39478 -2.48352 -2.47485 1.72842 -0.36032 -0.16889 1.95018 -2.26727 1.94551 -2.21861 -0.15287 -2.25450 -0.13544 1.93030 -1.00193 1.08906 -3.04403 -3.01657 -0.92558 1.22451 1.12145 -3.07075 -0.92065 1.24613 -2.96020 -0.83723 -3.02015 -0.94330 1.17968 -0.90540 1.17145 -2.98876 -0.81007 1.31431 -2.96997 -1.11207 3.07482 1.05783</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">0.000016 0.000002 0.000826 0.000103</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">-9.850149e-09</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="44">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</array>
<array dataType="xsd:integer" dictRef="g:atom1" size="44">1 1 1 1 2 2 2 3 3 3 4 4 4 5 5 5 6 6 7 12 12 12 14 14 15 15 15 16 16 18 18 18 21 26 26 26 32 32 32 35 37 39 39 39</array>
<array dataType="xsd:integer" dictRef="g:atom2" size="44">2 4 8 9 3 10 16 5 14 18 6 12 26 7 11 37 7 31 30 13 14 25 15 24 16 32 39 17 23 19 20 21 22 27 28 29 33 34 35 36 38 40 41 42</array>
<array dataType="xsd:double" dictRef="cc:distance" size="44">1.562 1.5621 1.0942 1.0954 1.5627 1.0958 1.5496 1.5661 1.5623 1.5632 1.5156 1.5676 1.5379 1.5022 1.0961 1.4672 1.3334 1.0895 1.0883 1.0948 1.5487 1.0921 1.5858 1.0935 1.5669 1.5465 1.5439 1.0928 1.0958 1.1008 1.0861 1.4292 0.9746 1.0964 1.0948 1.0963 1.0945 1.0953 1.4357 0.9672 0.9686 1.0967 1.0935 1.0903</array>
<array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="44">-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-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="87">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 A85 A86 A87</array>
<array dataType="xsd:integer" dictRef="g:atom1" size="87">2 2 2 4 4 8 1 1 1 3 3 10 2 2 2 5 5 14 1 1 1 6 6 12 3 3 3 7 7 11 4 4 7 5 5 6 4 4 4 13 13 14 3 3 3 12 12 15 14 14 14 16 16 32 2 2 2 15 15 17 3 3 3 19 19 20 18 4 4 4 27 27 28 15 15 15 33 33 34 32 5 15 15 15 40 40 41</array>
<array dataType="xsd:integer" dictRef="g:atom2" size="87">1 1 1 1 1 1 2 2 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 7 7 7 12 12 12 12 12 12 14 14 14 14 14 14 15 15 15 15 15 15 16 16 16 16 16 16 18 18 18 18 18 18 21 26 26 26 26 26 26 32 32 32 32 32 32 35 37 39 39 39 39 39 39</array>
<array dataType="xsd:integer" dictRef="g:atom3" size="87">4 8 9 8 9 9 3 10 16 10 16 16 5 14 18 14 18 18 6 12 26 12 26 26 7 11 37 11 37 37 7 31 31 6 30 30 13 14 25 14 25 25 12 15 24 15 24 24 16 32 39 32 39 39 15 17 23 17 23 23 19 20 21 20 21 21 22 27 28 29 28 29 29 33 34 35 34 35 35 36 38 40 41 42 41 42 42</array>
<array dataType="xsd:double" dictRef="cc:angle" size="87">115.4023 110.1662 108.605 107.6751 108.8459 105.7063 112.667 109.9042 108.7072 112.0466 101.6226 111.6288 116.2617 98.0595 109.073 117.0017 103.6191 113.0143 106.5879 112.5303 109.6229 108.7775 109.1119 110.0995 122.2561 105.7949 109.977 106.4579 107.9693 102.5611 123.0246 117.6069 119.3303 125.8539 113.8877 120.2488 107.8408 114.6847 109.9165 108.8341 104.6044 110.4337 109.2545 104.0748 111.6247 114.4414 108.5256 108.9207 103.7254 112.9873 110.404 110.073 112.8494 106.9202 105.0372 112.0154 110.3909 111.2859 112.6981 105.5582 107.8361 112.151 114.3806 106.4091 110.2604 105.5324 105.9935 110.9259 111.0762 110.7521 107.9605 107.9866 108.0121 110.1885 111.1709 113.1688 108.083 104.8326 109.1005 108.8924 107.978 110.0638 110.724 112.1734 107.7249 107.2824 108.7112</array>
<array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="87">-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-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="150">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 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 D139 D140 D141 D142 D143 D144 D145 D146 D147 D148 D149 D150</array>
<array dataType="xsd:integer" dictRef="g:atom1" size="150">4 4 4 8 8 8 9 9 9 2 2 2 8 8 8 9 9 9 1 1 1 10 10 10 16 16 16 1 1 1 3 3 3 10 10 10 2 2 2 14 14 14 18 18 18 2 2 2 5 5 5 18 18 18 2 2 2 5 5 5 14 14 14 1 1 12 12 26 26 1 1 1 6 6 6 26 26 26 1 1 1 6 6 6 12 12 12 3 3 11 11 37 37 3 7 11 4 4 31 31 4 4 4 13 13 13 25 25 25 3 3 3 12 12 12 24 24 24 14 14 14 32 32 32 39 39 39 14 14 14 16 16 16 39 39 39 14 14 14 16 16 16 32 32 32 3 19 20 15 33</array>
<array dataType="xsd:integer" dictRef="g:atom2" size="150">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 2 2 2 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 6 6 6 6 12 12 12 12 12 12 12 12 12 14 14 14 14 14 14 14 14 14 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 18 18 18 32 32</array>
<array dataType="xsd:integer" dictRef="g:atom3" size="150">2 2 2 2 2 2 2 2 2 4 4 4 4 4 4 4 4 4 3 3 3 3 3 3 3 3 3 16 16 16 16 16 16 16 16 16 5 5 5 5 5 5 5 5 5 14 14 14 14 14 14 14 14 14 18 18 18 18 18 18 18 18 18 6 6 6 6 6 6 12 12 12 12 12 12 12 12 12 26 26 26 26 26 26 26 26 26 7 7 7 7 7 7 37 37 37 7 7 7 7 14 14 14 14 14 14 14 14 14 15 15 15 15 15 15 15 15 15 16 16 16 16 16 16 16 16 16 32 32 32 32 32 32 32 32 32 39 39 39 39 39 39 39 39 39 21 21 21 35 35</array>
<array dataType="xsd:integer" dictRef="g:atom4" size="150">3 10 16 3 10 16 3 10 16 6 12 26 6 12 26 6 12 26 5 14 18 5 14 18 5 14 18 15 17 23 15 17 23 15 17 23 7 11 37 7 11 37 7 11 37 12 15 24 12 15 24 12 15 24 19 20 21 19 20 21 19 20 21 7 31 7 31 7 31 13 14 25 13 14 25 13 14 25 27 28 29 27 28 29 27 28 29 6 30 6 30 6 30 38 38 38 5 30 5 30 3 15 24 3 15 24 3 15 24 16 32 39 16 32 39 16 32 39 2 17 23 2 17 23 2 17 23 33 34 35 33 34 35 33 34 35 40 41 42 40 41 42 40 41 42 22 22 22 36 36</array>
<array dataType="xsd:double" dictRef="cc:dihed" size="150">-10.9281 -136.6493 100.9062 111.2445 -14.4767 -136.9211 -133.4199 100.859 -21.5855 83.7071 -35.4493 -158.3298 -39.7889 -158.9454 78.1741 -153.9297 86.9139 -35.9666 -60.7441 64.7901 -177.386 63.8099 -170.6559 -52.832 -176.8961 -51.3619 66.462 -80.5907 158.4732 41.1536 38.4241 -82.512 160.1683 158.0147 37.0786 -80.2411 48.7 -73.0815 176.8395 -66.5699 171.6486 61.5696 168.3345 46.5529 -63.526 -77.2062 45.4379 162.7602 47.8034 170.4475 -72.2302 168.0401 -69.3158 48.0065 75.1197 -41.7133 -161.8411 -49.3163 -166.1493 73.7229 -176.9392 66.2278 -53.9 -65.8767 111.8588 55.6949 -126.5696 175.8244 -6.4402 144.9886 23.5774 -101.5367 27.1171 -94.294 140.5918 -92.3986 146.1902 21.0761 -57.1004 62.9771 -176.9961 59.279 179.3564 -60.6168 178.5912 -61.3314 58.6954 11.7929 -169.3394 133.2631 -47.8692 -117.2122 61.6554 -83.0568 52.5776 164.7507 -2.0609 179.1377 -179.7591 1.4394 33.9118 -82.3013 155.8323 -86.9544 156.8325 34.9662 158.7544 42.5413 -79.3251 -22.6183 -141.7878 98.5355 96.5505 -22.619 -142.2957 -141.7995 99.0311 -20.6457 -9.6754 111.7393 -129.9027 111.473 -127.1123 -8.7543 -129.1716 -7.7569 110.6011 -57.4049 62.4004 -174.4082 -172.8356 -53.0302 70.1612 64.2563 -175.9383 -52.7469 71.4022 -169.6034 -47.9636 -173.038 -54.0436 67.5962 -51.8744 67.1199 -171.2402 -46.3838 75.3352 -170.1372 -63.6913 176.1991</array>
<array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="150">-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-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">462</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">462</array>
<array dataType="xsd:string" dictRef="cc:symm" size="1">A</array>
</list>
<scalar dataType="xsd:integer" dictRef="cc:basiscount">462</scalar>
<scalar dataType="xsd:integer" dictRef="g:primbasis">744</scalar>
<scalar dataType="xsd:integer" dictRef="cc:cartesianbasis">462</scalar>
<scalar dataType="xsd:integer" dictRef="cc:alphae">69</scalar>
<scalar dataType="xsd:integer" dictRef="cc:betae">69</scalar>
<scalar dataType="xsd:double" dictRef="cc:nucrepener">1553.7950640999</scalar>
<scalar dataType="xsd:integer" dictRef="cc:natoms">42</scalar>
<scalar dataType="xsd:integer" dictRef="cc:nactiveatoms">42</scalar>
<scalar dataType="xsd:integer" dictRef="cc:uniqatoms">42</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="903">0.000000 1.561963 0.000000 2.600561 1.562665 0.000000 1.562117 2.640699 2.847436 0.000000 3.199533 2.657131 1.566109 3.040032 0.000000 2.467573 3.279107 3.138157 1.515566 2.526039 0.000000 3.057723 3.253733 2.687073 2.505522 1.502171 1.333403 0.000000 1.094249 2.194441 3.265959 2.162307 3.491555 2.506887 3.070630 0.000000 1.095394 2.175168 3.396075 2.178434 4.229576 3.377215 4.119828 1.745344 0.000000 2.192206 1.095750 2.219920 3.457405 2.976139 3.796030 3.580438 2.326736 2.785883 0.000000 3.704361 2.957801 2.142104 3.878915 1.096090 3.249228 2.095443 3.767999 4.742013 2.868272 0.000000 2.602707 2.963709 2.536766 1.567578 3.015831 2.506737 3.021179 3.496600 3.056615 3.990018 4.048204 0.000000 3.448050 3.766742 2.988363 2.169679 2.980499 2.489812 2.832730 4.179590 4.043093 4.705961 4.074026 1.094811 0.000000 2.872763 2.359530 1.562332 2.623654 2.667460 3.412245 3.407941 3.844550 3.346247 3.366622 3.546791 1.548711 2.166070 0.000000 3.127903 2.473090 2.482046 3.426179 3.951783 4.564436 4.724046 4.177320 3.124132 3.428630 4.620597 2.635430 3.528910 1.585771 0.000000 2.528525 1.549562 2.412205 3.518064 3.889332 4.540260 4.642442 3.368465 2.489734 2.203066 4.256079 3.397923 4.360616 2.479705 1.566896 0.000000 3.472196 2.205639 2.852403 4.526351 4.328082 5.403766 5.302345 4.170000 3.482493 2.449796 4.488220 4.333446 5.214598 3.169669 2.211909 1.092788 0.000000 3.958802 2.545956 1.563181 4.405904 2.459496 4.609147 3.897066 4.533229 4.636225 2.752307 2.490153 3.940611 4.298356 2.606536 3.069477 2.895971 2.725891 0.000000 4.283871 2.880484 2.170099 4.875071 2.546403 4.824313 3.936028 4.611230 5.053041 2.670902 2.088435 4.692264 4.995912 3.532851 4.027596 3.526679 3.254072 1.100774 0.000000 4.189023 2.672437 2.214339 4.862789 3.432779 5.324827 4.784652 4.833125 4.642734 2.840575 3.456461 4.381111 4.924525 2.930511 2.796425 2.461250 1.945912 1.086059 1.751192 0.000000 5.094124 3.824307 2.516103 5.205176 3.043153 5.321471 4.509478 5.743906 5.774811 4.160208 3.200176 4.383938 4.476706 3.032511 3.683544 4.008157 3.828054 1.429241 2.084237 2.013352 0.000000 5.131326 4.052229 2.560157 5.007573 2.591094 4.898091 3.979267 5.719182 5.928242 4.423206 2.833573 4.193228 4.062898 3.089611 4.107441 4.510901 4.512725 1.939096 2.403387 2.803354 0.974575 0.000000 2.621392 2.187515 3.376551 3.773080 4.751577 4.949458 5.277926 3.366146 2.134755 2.681661 5.111034 3.903083 4.956919 3.315283 2.231837 1.095816 1.742807 3.968228 4.507664 3.485178 5.103184 5.595741 0.000000 3.946735 3.347104 2.212637 3.507847 3.045897 4.100393 3.921477 4.885322 4.427053 4.270201 3.928464 2.161101 2.334195 1.093486 2.198845 3.347761 3.834439 2.790063 3.795220 3.173204 2.658504 2.636464 4.239981 0.000000 3.189233 3.696407 3.466349 2.194637 4.100810 3.358964 4.058832 4.136828 3.295856 4.769093 5.126474 1.092130 1.730411 2.184550 2.764497 3.764487 4.738983 4.765724 5.609270 5.041794 5.135655 5.026563 4.072582 2.629819 0.000000 2.533520 3.929711 4.349167 1.537853 4.540016 2.487600 3.760461 2.894519 2.580467 4.699566 5.362421 2.545423 3.034780 3.868619 4.387542 4.546609 5.623836 5.893024 6.387633 6.253430 6.668832 6.474514 4.483354 4.684148 2.542462 0.000000 2.756642 4.295366 4.931453 2.184346 4.988791 2.735842 4.031877 2.702883 2.770570 4.860317 5.659245 3.510205 3.966916 4.722596 5.184019 5.057352 6.099509 6.460960 6.807587 6.824431 7.365991 7.168255 4.872516 5.609401 3.620778 1.096359 0.000000 2.806328 4.113842 4.684112 2.185079 5.190233 3.451689 4.641430 3.356279 2.430573 4.953059 6.023877 2.805349 3.506608 3.973842 4.117542 4.355749 5.445669 6.148403 6.750046 6.334429 6.932856 6.866800 4.108598 4.796692 2.433096 1.094825 1.772261 0.000000 3.497908 4.779136 4.914093 2.182079 4.907746 2.744004 4.002106 3.847494 3.643971 5.590858 5.815045 2.779554 2.904198 4.288508 5.008971 5.406678 6.478153 6.461037 6.994058 6.917120 7.055351 6.744129 5.440288 4.911295 2.652373 1.096257 1.773714 1.772759 0.000000 4.035588 4.216574 3.613278 3.495528 2.182872 2.103427 1.088300 3.852240 5.101092 4.367376 2.402004 4.035875 3.678030 4.426261 5.780344 5.656432 6.244507 4.609484 4.460174 5.571398 5.105954 4.459011 6.298114 4.823068 5.048741 4.585534 4.717936 5.550057 4.703568 0.000000 3.214477 4.248137 4.223566 2.239259 3.499014 1.089495 2.094800 3.007747 3.986087 4.676887 4.111875 3.349327 3.213695 4.441869 5.550300 5.504261 6.399645 5.678885 5.828801 6.400132 6.373651 5.895448 5.792959 5.098618 4.024527 2.574072 2.514684 3.658157 2.605581 2.415459 0.000000 3.518855 3.491303 3.783742 3.605971 5.097083 5.015450 5.534484 4.584183 3.104893 4.482541 5.878109 2.884563 3.846617 2.611816 1.546453 2.551471 3.339657 4.597321 5.528074 4.319611 5.156069 5.495914 2.565579 3.167401 2.426722 4.019563 4.865691 3.401903 4.589965 6.618760 5.829852 0.000000 4.263068 4.299370 4.269137 3.971459 5.444806 5.313668 5.843358 5.340135 3.959472 5.348337 6.335683 2.923390 3.672504 2.835490 2.181250 3.504682 4.242959 5.079717 6.087578 4.907251 5.371935 5.618751 3.647435 3.067400 2.200938 4.269039 5.242047 3.664071 4.590892 6.896556 6.083403 1.094543 0.000000 2.910984 3.352650 3.904463 2.965209 5.048043 4.465356 5.202467 3.907605 2.332293 4.327778 5.841235 2.661082 3.690544 2.890164 2.194222 2.747831 3.726211 4.990145 5.805877 4.835706 5.713260 5.944431 2.517349 3.659527 2.164286 3.099348 3.875195 2.380538 3.766742 6.277747 5.154106 1.095287 1.772542 0.000000 4.533996 4.394572 4.899464 4.896860 6.331290 6.337027 6.850435 5.520888 3.893597 5.225090 7.003355 4.314885 5.280841 3.894255 2.489981 3.099601 3.591005 5.449787 6.349727 4.912864 6.032570 6.533271 2.781777 4.373740 3.816166 5.168951 5.896957 4.386417 5.803572 7.937935 7.130593 1.435743 2.015929 2.071273 0.000000 4.319463 4.136318 4.909225 4.978447 6.372312 6.397312 6.894422 5.208066 3.584304 4.819323 6.927723 4.657703 5.696380 4.177595 2.694923 2.771888 3.175661 5.409786 6.196765 4.786869 6.180326 6.736216 2.190760 4.809177 4.311270 5.284730 5.868143 4.523997 6.061136 7.972934 7.186917 1.973859 2.829569 2.328211 0.967206 0.000000 4.505446 3.916012 2.485043 4.032918 1.467204 3.461208 2.401895 4.900981 5.476925 4.314170 2.013356 3.535636 3.113782 3.117931 4.563474 4.880018 5.222914 2.876298 3.079481 3.929897 2.715346 1.880897 5.842998 2.964099 4.531902 5.446541 6.036185 6.090070 5.575904 2.712522 4.321345 5.725743 5.832831 5.850312 6.995059 7.193896 0.000000 4.579543 4.229741 2.825425 3.796604 1.992038 3.290906 2.502339 5.068678 5.489345 4.813462 2.813118 3.096394 2.437361 2.977160 4.532147 5.099028 5.581172 3.483414 3.887154 4.456577 3.224065 2.402411 6.009276 2.696703 3.999691 5.072678 5.762145 5.711280 5.040296 2.883048 4.084864 5.500300 5.449706 5.600000 6.841262 7.150400 0.968625 0.000000 4.614717 3.681058 3.363207 4.888328 4.817203 5.902216 5.854710 5.624630 4.620609 4.452896 5.381592 3.867074 4.545956 2.570084 1.543880 2.591805 2.599931 3.264517 4.299952 2.724101 3.436018 4.079558 3.280632 2.550676 3.920013 5.871214 6.711249 5.563503 6.397805 6.844700 6.927410 2.482906 2.748180 3.457314 2.849664 3.176081 5.097278 5.112415 0.000000 5.257563 4.516105 4.014641 5.241890 5.325448 6.269602 6.282648 6.316244 5.248007 5.384777 6.016462 3.986244 4.518130 2.899872 2.179005 3.534514 3.678920 4.026671 5.111054 3.653160 3.890167 4.402244 4.145626 2.562796 3.837311 6.095263 7.038153 5.744494 6.461062 7.259342 7.251364 2.643117 2.451661 3.688817 3.034786 3.636558 5.383196 5.224718 1.096702 0.000000 5.112268 4.170043 4.170262 5.604799 5.694292 6.713200 6.722402 6.084651 4.933500 4.815770 6.161167 4.742287 5.520936 3.523366 2.184989 2.800836 2.569916 3.953513 4.883498 3.170921 4.254549 5.003095 3.225146 3.631872 4.702672 6.481451 7.254129 6.045121 7.099242 7.727985 7.721039 2.779766 3.197288 3.762609 2.573660 2.736529 6.090485 6.163599 1.093516 1.768828 0.000000 4.934859 3.751760 3.142482 5.238037 4.490705 6.019588 5.726710 5.858816 5.141308 4.368326 4.916440 4.232041 4.760704 2.740430 2.200645 2.926802 2.670307 2.583494 3.593976 2.041889 2.532947 3.301551 3.819582 2.531209 4.515364 6.413731 7.220054 6.263113 6.924170 6.627035 7.090299 3.456475 3.710781 4.337979 3.908317 4.128742 4.618222 4.778297 1.090281 1.761225 1.774662 0.000000</array>
</module>
<module cmlx:templateRef="l202.stoich">
<scalar cmlx:templateRef="stoich" dataType="xsd:string" dictRef="g:stoichiometry">C15H24O3</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="0" id="mol.l202.orient" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="-0.207561" y3="1.552907" z3="1.314898">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a2" x3="-0.028557" y3="0.017937" z3="1.541946">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a3" x3="-0.674004" y3="-0.838281" z3="0.40519">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a4" x3="-0.740505" y3="1.964136" z3="-0.094737">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a5" x3="-2.218898" y3="-0.675032" z3="0.206826">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a6" x3="-2.249885" y3="1.838715" z3="-0.040145">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a7" x3="-2.877111" y3="0.671919" z3="0.111972">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a8" x3="-0.890697" y3="1.967673" z3="2.062344">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a9" x3="0.755196" y3="2.046251" z3="1.486942">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a10" x3="-0.407979" y3="-0.259508" z3="2.53176">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a11" x3="-2.684638" y3="-1.189183" z3="1.055441">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a12" x3="-0.198045" y3="1.036542" z3="-1.236055">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a13" x3="-0.989514" y3="0.927918" z3="-1.984645">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a14" x3="0.2451" y3="-0.371997" z3="-0.768994">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a15" x3="1.70823" y3="-0.431295" z3="-0.160387">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a16" x3="1.47194" y3="-0.335931" z3="1.385652">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a17" x3="1.725543" y3="-1.274628" z3="1.884371">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a18" x3="-0.505131" y3="-2.353877" z3="0.748679">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a19" x3="-1.225835" y3="-2.601932" z3="1.542882">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a20" x3="0.480087" y3="-2.575924" z3="1.148134">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a21" x3="-0.673737" y3="-3.233586" z3="-0.36506">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a22" x3="-1.479953" y3="-2.93459" z3="-0.823767">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a23" x3="2.096104" y3="0.428188" z3="1.862468">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a24" x3="0.187649" y3="-1.054681" z3="-1.621257">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a25" x3="0.615734" y3="1.53601" z3="-1.76619">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a26" x3="-0.36694" y3="3.428166" z3="-0.381194">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a27" x3="-0.761599" y3="4.092387" z3="0.396661">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a28" x3="0.71964" y3="3.557611" z3="-0.416268">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a29" x3="-0.778242" y3="3.752718" z3="-1.344146">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a30" x3="-3.96378" y3="0.635714" z3="0.159244">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a31" x3="-2.834976" y3="2.756266" z3="-0.092753">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a32" x3="2.606643" y3="0.735341" z3="-0.632968">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a33" x3="2.669287" y3="0.745183" z3="-1.725673">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a34" x3="2.205373" y3="1.70085" z3="-0.306734">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a35" x3="3.966538" y3="0.617176" z3="-0.187907">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a36" x3="3.985058" y3="0.663261" z3="0.778023">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="O" id="a37" x3="-2.665076" y3="-1.478414" z3="-0.936935">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a38" x3="-2.504837" y3="-0.965794" z3="-1.743023">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="C" id="a39" x3="2.412956" y3="-1.739423" z3="-0.579584">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a40" x3="2.666389" y3="-1.705184" z3="-1.646052">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a41" x3="3.343049" y3="-1.874203" z3="-0.020531">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
<atom elementType="H" id="a42" x3="1.781738" y3="-2.614784" z3="-0.424605">
<property dictRef="g:atomicType">
<scalar dataType="xsd:integer">0</scalar>
</property>
</atom>
</atomArray>
<bondArray/>
<formula concise="C15H24O3"/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">228.1587</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/15C.3O.24H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;2;3;4;5;6;7;12;14;15;16;18;26;32;39;21;35;37;8;9;10;11;13;17;19;20;22;23;24;25;27;28;29;30;31;33;34;36;38;40;41;42/rA:42nC0C0C0C0C0C0C0H0H0H0H0C0H0C0C0C0H0C0H0H0O0H0H0H0H0C0H0H0H0H0H0C0H0H0O0H0O0H0C0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2076,1.5529,1.3149;-.0286,.0179,1.5419;-.674,-.8383,.4052;-.7405,1.9641,-.0947;-2.2189,-.675,.2068;-2.2499,1.8387,-.0401;-2.8771,.6719,.112;-.8907,1.9677,2.0623;.7552,2.0463,1.4869;-.408,-.2595,2.5318;-2.6846,-1.1892,1.0554;-.198,1.0365,-1.2361;-.9895,.9279,-1.9846;.2451,-.372,-.769;1.7082,-.4313,-.1604;1.4719,-.3359,1.3857;1.7255,-1.2746,1.8844;-.5051,-2.3539,.7487;-1.2258,-2.6019,1.5429;.4801,-2.5759,1.1481;-.6737,-3.2336,-.3651;-1.48,-2.9346,-.8238;2.0961,.4282,1.8625;.1876,-1.0547,-1.6213;.6157,1.536,-1.7662;-.3669,3.4282,-.3812;-.7616,4.0924,.3967;.7196,3.5576,-.4163;-.7782,3.7527,-1.3441;-3.9638,.6357,.1592;-2.835,2.7563,-.0928;2.6066,.7353,-.633;2.6693,.7452,-1.7257;2.2054,1.7008,-.3067;3.9665,.6172,-.1879;3.9851,.6633,.778;-2.6651,-1.4784,-.9369;-2.5048,-.9658,-1.743;2.413,-1.7394,-.5796;2.6664,-1.7052,-1.6461;3.343,-1.8742,-.0205;1.7817,-2.6148,-.4246;</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="l202.rotconst">
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.5606544 0.4560027 0.3071073</array>
</module>
</module>
<module cmlx:templateRef="l50X">
<scalar dataType="xsd:integer" dictRef="cc:ncycle">1</scalar>
<scalar dataType="xsd:double" dictRef="g:rbhflyp" units="nonsi:hartree">-811.791996748</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=111111111111111111111111111111111111111111</scalar>
<scalar dataType="xsd:string" dictRef="g:l1002.minotr">NEqPCM:  Using equilibrium solvation (IEInf=0, Eps=  32.6130, EpsInf=   1.7657)</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   129 degrees of freedom in the 1st order CPHF.  IDoFFX=6 NUNeed=     3.</scalar>
<scalar dataType="xsd:string" dictRef="g:l1002.minotr">126 vectors produced by pass  0 Test12= 2.71D-14 1.00D-09 XBig12= 1.39D+02 4.69D+00.</scalar>
<scalar dataType="xsd:string" dictRef="g:l1002.minotr">AX will form   126 AO Fock derivatives at one time.</scalar>
<scalar dataType="xsd:string" dictRef="g:l1002.minotr">126 vectors produced by pass  1 Test12= 2.71D-14 1.00D-09 XBig12= 1.42D+01 6.73D-01.</scalar>
<scalar dataType="xsd:string" dictRef="g:l1002.minotr">126 vectors produced by pass  2 Test12= 2.71D-14 1.00D-09 XBig12= 1.43D-01 4.01D-02.</scalar>
<scalar dataType="xsd:string" dictRef="g:l1002.minotr">126 vectors produced by pass  3 Test12= 2.71D-14 1.00D-09 XBig12= 4.50D-04 2.23D-03.</scalar>
<scalar dataType="xsd:string" dictRef="g:l1002.minotr">126 vectors produced by pass  4 Test12= 2.71D-14 1.00D-09 XBig12= 8.48D-07 7.11D-05.</scalar>
<scalar dataType="xsd:string" dictRef="g:l1002.minotr">95 vectors produced by pass  5 Test12= 2.71D-14 1.00D-09 XBig12= 8.98D-10 1.98D-06.</scalar>
<scalar dataType="xsd:string" dictRef="g:l1002.minotr">14 vectors produced by pass  6 Test12= 2.71D-14 1.00D-09 XBig12= 8.05D-13 5.28D-08.</scalar>
<scalar dataType="xsd:string" dictRef="g:l1002.minotr">2 vectors produced by pass  7 Test12= 2.71D-14 1.00D-09 XBig12= 6.98D-16 1.76D-09.</scalar>
<scalar dataType="xsd:string" dictRef="g:l1002.minotr">InvSVY:  IOpt=1 It=  1 EMax= 4.10D-15</scalar>
<scalar dataType="xsd:string" dictRef="g:l1002.minotr">Solved reduced A of dimension   741 with   129 vectors.</scalar>
<scalar dataType="xsd:string" dictRef="g:l1002.minotr">Isotropic polarizability for W=    0.000000      237.34 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">PT16912.800S</scalar>
</property>
<property dictRef="cc:jobdatetime.end">
<scalar dataType="xsd:date">2026-03-24T17:36:54.000</scalar>
</property>
<property dictRef="cc:popanal">
<module cmlx:templateRef="l601.popanal">
<array dataType="xsd:double" dictRef="g:alphaocc" size="69">-19.17599 -19.16272 -19.14921 -10.25230 -10.23325 -10.22986 -10.20734 -10.20659 -10.20136 -10.19818 -10.19438 -10.19419 -10.19000 -10.18614 -10.18543 -10.18363 -10.17883 -10.17006 -1.04064 -1.02685 -1.01351 -0.87710 -0.82431 -0.78534 -0.76723 -0.75095 -0.71140 -0.68772 -0.68038 -0.67006 -0.64372 -0.61536 -0.60764 -0.55129 -0.54751 -0.53439 -0.51309 -0.50487 -0.49267 -0.47270 -0.46673 -0.46267 -0.45445 -0.44866 -0.44192 -0.42965 -0.42143 -0.41634 -0.40229 -0.39780 -0.39354 -0.38484 -0.38141 -0.37828 -0.37119 -0.36672 -0.35935 -0.34935 -0.33363 -0.32717 -0.31698 -0.31551 -0.30886 -0.30334 -0.29904 -0.28692 -0.27531 -0.27080 -0.25569</array>
<array dataType="xsd:double" dictRef="g:alphavirt" size="393">-0.01462 -0.00058 0.00482 0.01108 0.01460 0.02649 0.02885 0.03252 0.03327 0.03850 0.05351 0.05485 0.05818 0.06029 0.06610 0.06666 0.07218 0.07921 0.08280 0.09134 0.09251 0.09626 0.10233 0.10245 0.10626 0.11181 0.11661 0.12440 0.13205 0.13444 0.13628 0.14075 0.14334 0.14704 0.14941 0.15246 0.15640 0.16149 0.16226 0.16498 0.16681 0.17419 0.17565 0.17907 0.18047 0.18375 0.18889 0.19114 0.19576 0.19869 0.20197 0.20697 0.20779 0.20856 0.21737 0.22123 0.22388 0.22600 0.22870 0.23287 0.23499 0.23667 0.23981 0.24408 0.24534 0.25237 0.25442 0.25596 0.25753 0.26479 0.26936 0.26980 0.27351 0.27607 0.28217 0.28321 0.28466 0.28858 0.29331 0.29727 0.30218 0.31106 0.31533 0.31789 0.32046 0.32574 0.32783 0.33074 0.33522 0.34210 0.34446 0.34964 0.35366 0.36095 0.36562 0.36970 0.38184 0.38377 0.38671 0.39362 0.39876 0.40011 0.41478 0.42184 0.42508 0.43264 0.44198 0.44493 0.45382 0.46184 0.46822 0.48020 0.49885 0.50460 0.52222 0.53470 0.55982 0.64294 0.65683 0.66101 0.67695 0.68168 0.69636 0.70552 0.71603 0.72203 0.72858 0.74390 0.74834 0.75531 0.76123 0.76670 0.77260 0.78196 0.78525 0.79794 0.79964 0.81872 0.82463 0.82739 0.83499 0.84293 0.85577 0.87727 0.88809 0.89643 0.89982 0.90272 0.91830 0.92766 0.93651 0.95149 0.96069 0.96239 0.97500 0.98564 0.99245 1.00393 1.02053 1.02148 1.03101 1.03397 1.04492 1.05050 1.05230 1.06077 1.06372 1.07879 1.08269 1.09311 1.10086 1.10620 1.13095 1.13752 1.14379 1.15752 1.16095 1.17135 1.17466 1.17948 1.19664 1.20031 1.21726 1.23093 1.24092 1.25316 1.27157 1.28087 1.28939 1.30533 1.31920 1.32683 1.33670 1.34166 1.35532 1.36939 1.37702 1.39858 1.40805 1.42708 1.43230 1.44103 1.45675 1.47534 1.47992 1.49091 1.51326 1.52621 1.53643 1.56732 1.57653 1.58234 1.59738 1.61961 1.63636 1.66121 1.66848 1.67786 1.68310 1.71116 1.71733 1.72810 1.74601 1.74980 1.75740 1.76775 1.77460 1.79106 1.81533 1.82374 1.82959 1.84156 1.84658 1.85902 1.86731 1.87552 1.88416 1.90313 1.91078 1.92418 1.93175 1.94040 1.94680 1.95596 1.96657 1.97850 1.97960 1.98763 1.99686 2.01632 2.02080 2.04058 2.05033 2.05083 2.05837 2.06852 2.08198 2.08996 2.10300 2.10762 2.11291 2.12293 2.12590 2.14934 2.15975 2.17051 2.17837 2.18818 2.19761 2.20886 2.22564 2.23603 2.24384 2.27246 2.28551 2.30223 2.30600 2.32151 2.32598 2.33166 2.35503 2.36381 2.37369 2.39260 2.40329 2.40696 2.41323 2.43026 2.44531 2.45926 2.46257 2.47433 2.48260 2.49944 2.50595 2.52027 2.52671 2.53473 2.54748 2.56505 2.57267 2.59067 2.59906 2.60741 2.62141 2.63257 2.65337 2.65976 2.66595 2.67581 2.68229 2.69765 2.69836 2.70717 2.72320 2.73752 2.74602 2.75050 2.75798 2.77040 2.78485 2.79020 2.79622 2.80836 2.81910 2.83588 2.84005 2.84727 2.86274 2.86782 2.87909 2.89285 2.89710 2.90602 2.91637 2.92307 2.94114 2.94195 2.95327 2.96307 2.98728 2.99528 3.02640 3.04541 3.05354 3.09209 3.11672 3.12045 3.15913 3.18193 3.20490 3.29591 3.31399 3.34512 3.36581 3.38194 3.38660 3.38830 3.39738 3.44717 3.45924 3.46579 3.48095 3.49410 3.49696 3.51555 3.53481 3.55273 3.56756 3.57598 3.58181 3.60352 3.60733 3.65765 3.66125 4.35330 4.40367 4.46325 4.48725 4.51446 4.53948 4.57349 4.57692 4.62495 4.66541 4.69675 4.71638 4.78388 4.83070 4.86224 4.91157 5.02471 5.11694</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="42">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</array>
<array dataType="xsd:string" dictRef="cc:elementType" size="42">C C C C C C C H H H H C H C C C H C H H O H H H H C H H H H H C H H O H O H C H H H</array>
<array dataType="xsd:double" dictRef="x:charge" size="42">-0.541017 -0.117427 -1.074683 0.347094 0.556432 -0.259518 -0.057144 0.152017 0.139793 0.135762 0.138855 -0.489649 0.147976 0.112662 -0.087938 -0.313191 0.150654 0.113178 0.125046 0.132130 -0.490276 0.395137 0.126259 0.149374 0.142392 -0.353975 0.157522 0.150025 0.160377 0.139855 0.139891 -0.199955 0.146196 0.139677 -0.486368 0.353593 -0.476724 0.370972 -0.340816 0.144513 0.161006 0.160295</array>
</list>
<scalar dataType="xsd:double" dictRef="x:chargesum">-0.00000</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="18">1 2 3 4 5 6 7 12 14 15 16 18 21 26 32 35 37 39</array>
<array dataType="xsd:string" dictRef="cc:elementType" size="18">C C C C C C C C C C C C O C C O O C</array>
<array dataType="xsd:double" dictRef="x:charge" size="18">-0.249207 0.018335 -1.074683 0.347094 0.695287 -0.119627 0.082711 -0.199281 0.262036 -0.087938 -0.036278 0.370354 -0.095140 0.113949 0.085918 -0.132775 -0.105752 0.124997</array>
</list>
<scalar dataType="xsd:double" dictRef="x:chargesum">0.00000</scalar>
</module>
</property>
<property>
<module cmlx:templateRef="l601.polariz">
<array dataType="xsd:double" dictRef="g:l601.pol.exact" size="6">244.992 4.082 251.025 0.429 -0.953 216.014</array>
<array dataType="xsd:double" dictRef="g:l601.pol.approx" size="6">252.951 10.652 264.486 1.525 -0.020 242.025</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">-1.3154 -0.0008 0.0008 0.0010 5.0454 8.5320 85.3863 95.8920 128.5858</array>
</module>
<module cmlx:templateRef="l716.freq.chunkx" dictRef="cc:vibrations" id="default">
<array dataType="xsd:integer" dictRef="x:serial" size="120">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</array>
<array dataType="xsd:string" delimiter="|" dictRef="cc:irrep" 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>
<array dataType="xsd:double" dictRef="cc:frequency" size="120">85.3533 95.8771 128.5786 137.5124 161.8809 199.5355 227.3020 232.3194 257.1652 276.9464 284.4470 292.1607 294.8141 317.9334 325.7039 330.9804 357.2577 373.3832 384.8125 405.4046 410.3034 434.1084 452.2374 472.6442 514.0299 522.3227 550.5467 582.3110 623.8193 632.2031 663.2168 682.6733 701.1334 736.6105 770.7143 805.6148 848.3692 868.6789 881.0482 895.0512 914.3369 929.8721 938.6276 946.6108 953.0280 967.2557 984.6937 993.5083 1003.3722 1019.8826 1029.9931 1035.9905 1050.8058 1065.6111 1078.0548 1106.8605 1116.7233 1130.8418 1136.4630 1157.8348 1174.3682 1181.8479 1190.8969 1212.0839 1225.3963 1243.4936 1249.7179 1263.3020 1276.8808 1283.9839 1297.0057 1326.4622 1332.1806 1334.2402 1345.6398 1366.9393 1372.0600 1376.2836 1389.2954 1391.2805 1408.2334 1411.5635 1416.0267 1426.9557 1431.8064 1459.0117 1491.2528 1495.5860 1496.8499 1498.3225 1500.2593 1511.1800 1526.4318 1530.8805 1540.6599 1734.0389 2990.6869 3026.1022 3038.0976 3040.9025 3043.5294 3046.0159 3047.8871 3054.8546 3060.5547 3083.8878 3084.9180 3094.1218 3094.8057 3099.6748 3103.1430 3106.9086 3107.2440 3143.4075 3154.1802 3169.6616 3175.1759 3653.8715 3797.3516 3812.0835</array>
<array dataType="xsd:double" dictRef="cc:redmass" size="120">5.1712 5.0142 3.8769 4.0342 3.3662 2.0238 2.6669 1.3363 3.0239 1.8990 1.8397 1.3006 2.8249 3.8869 2.7391 2.3901 2.6707 1.4859 1.9160 2.8999 2.3919 2.7062 2.9710 2.9742 3.3771 2.8262 2.1190 3.2297 1.5763 2.2804 3.6623 2.4812 4.1424 2.5352 2.2755 2.8396 2.5050 2.6321 2.3632 2.2034 2.3654 1.8873 2.3507 2.5850 2.4071 1.6994 1.7656 2.3646 1.4298 1.9666 4.4093 2.3664 2.6027 2.6112 2.6693 2.7089 1.9942 1.9055 1.8377 1.5982 2.2759 1.9461 2.1833 1.2005 1.3979 1.3291 1.1856 1.6185 1.5982 1.3931 1.6081 1.4542 1.4002 1.5174 1.3440 1.2183 1.3670 1.3882 1.2140 1.2221 1.2610 1.3160 1.3631 1.2208 1.4299 1.1965 1.0584 1.0640 1.0532 1.0544 1.0634 1.0799 1.0741 1.0689 1.0852 7.2525 1.0759 1.0356 1.0482 1.0616 1.0616 1.0843 1.0671 1.0723 1.0819 1.0933 1.0924 1.1023 1.0981 1.1056 1.0973 1.0962 1.0984 1.0852 1.0986 1.0967 1.0869 1.0660 1.0664 1.0661</array>
<array dataType="xsd:double" dictRef="cc:forceconst" size="120">0.0222 0.0272 0.0378 0.0449 0.0520 0.0475 0.0812 0.0425 0.1178 0.0858 0.0877 0.0654 0.1447 0.2315 0.1712 0.1543 0.2008 0.1221 0.1672 0.2808 0.2372 0.3005 0.3580 0.3915 0.5257 0.4543 0.3784 0.6452 0.3614 0.5370 0.9491 0.6813 1.1998 0.8105 0.7964 1.0858 1.0622 1.1703 1.0808 1.0400 1.1651 0.9615 1.2202 1.3648 1.2881 0.9368 1.0087 1.3752 0.8481 1.2052 2.7561 1.4964 1.6932 1.7470 1.8278 1.9554 1.4652 1.4357 1.3984 1.2623 1.8493 1.6016 1.8244 1.0391 1.2368 1.2109 1.0910 1.5219 1.5353 1.3532 1.5939 1.5075 1.4641 1.5915 1.4339 1.3412 1.5162 1.5492 1.3805 1.3938 1.4733 1.5449 1.6103 1.4645 1.7272 1.5007 1.3867 1.4023 1.3903 1.3947 1.4101 1.4530 1.4745 1.4760 1.5176 12.8485 5.6696 5.5877 5.7002 5.7837 5.7941 5.9271 5.8408 5.8959 5.9707 6.1260 6.1254 6.2176 6.1967 6.2588 6.2253 6.2343 6.2480 6.3176 6.4394 6.4919 6.4559 8.3853 9.0602 9.1282</array>
<array dataType="xsd:double" dictRef="cc:irintensity" size="120">2.3226 6.0832 2.0436 3.7232 5.8343 14.3097 0.5349 0.4909 2.3299 15.5520 21.6252 110.2741 28.6058 8.1187 4.4371 7.0521 13.9927 152.6666 22.9691 7.2442 2.2368 8.9629 0.0500 11.3497 9.3999 0.7935 4.9697 13.3674 117.0854 49.0446 0.5615 67.4515 1.1887 12.7346 28.4011 17.7100 2.7596 33.7654 17.6121 16.8854 6.8058 10.6508 97.7560 49.3159 27.5624 14.5458 11.3607 24.5521 6.1783 30.6476 158.6239 53.0755 32.8540 21.8588 139.2841 10.2742 8.6358 1.8299 3.9108 54.8470 2.9739 2.2672 1.3527 7.0097 19.3484 20.7632 9.1983 4.4821 13.4749 5.0358 11.3533 9.0025 5.3577 0.6081 2.0364 25.4964 5.0490 16.2227 21.1726 36.2385 36.4994 6.2469 26.5387 9.7995 2.0535 98.4288 2.3920 7.8070 2.6366 2.0018 21.9503 11.1937 5.0719 29.5491 9.6945 11.3604 104.4653 47.3322 53.0155 37.1746 83.3881 54.7689 63.5777 86.9718 94.4044 87.8111 19.7576 46.7869 52.8484 64.5367 21.6256 67.3977 90.1400 16.9655 27.3845 57.3999 41.9391 335.1480 42.2897 38.8709</array>
<array dataType="xsd:double" dictRef="cc:displacement" size="15120">0.06 -0.03 -0.06 0.01 -0.04 -0.02 -0.01 -0.02 -0.02 0.06 -0.03 -0.07 -0.02 0.03 0.10 0.06 0.02 -0.04 0.03 0.05 0.04 0.08 0.01 -0.07 0.08 -0.06 -0.07 -0.01 -0.01 -0.02 0.06 0.14 0.21 -0.00 -0.07 -0.07 -0.05 -0.11 -0.02 0.00 -0.04 -0.02 0.01 -0.00 -0.00 -0.01 -0.08 -0.00 -0.04 -0.11 -0.05 -0.02 -0.04 -0.09 -0.02 -0.09 -0.11 -0.02 -0.07 -0.11 -0.02 0.03 -0.15 -0.10 -0.02 -0.04 0.01 -0.12 0.05 0.02 -0.07 0.00 -0.03 -0.10 -0.14 0.12 -0.05 -0.10 0.16 -0.02 -0.11 0.12 -0.09 -0.12 0.12 -0.05 -0.10 0.03 0.09 0.07 0.09 0.04 -0.08 -0.04 0.07 0.07 0.05 0.07 0.08 -0.14 0.04 0.03 -0.07 0.18 0.19 -0.16 0.20 0.19 -0.19 -0.05 0.23 -0.31 -0.11 0.17 0.08 0.05 -0.04 0.03 0.07 -0.05 0.12 0.12 -0.08 0.15 0.01 -0.00 -0.09 0.02 0.04 -0.03 0.02 0.00 -0.01 0.04 -0.01 -0.02 0.04 0.02 -0.02 0.03 0.05 -0.03 0.02 -0.11 -0.02 0.01 -0.13 -0.16 -0.04 0.01 -0.12 0.06 0.11 -0.02 -0.01 -0.00 0.03 0.17 0.17 0.04 0.08 0.02 0.09 0.10 -0.02 -0.01 0.05 0.00 -0.01 -0.00 0.01 -0.02 0.05 0.00 0.00 0.08 0.04 0.01 0.02 -0.05 -0.10 -0.07 -0.19 -0.04 0.06 0.10 0.25 0.08 -0.13 0.17 -0.07 -0.09 -0.03 0.09 -0.03 -0.02 0.07 -0.01 0.08 0.09 0.09 -0.02 0.05 0.09 -0.08 0.03 0.08 -0.02 0.06 0.17 0.04 0.08 0.07 -0.02 -0.00 -0.23 -0.04 0.00 -0.23 0.05 -0.06 -0.01 0.01 -0.05 -0.02 0.13 -0.04 0.02 0.06 -0.17 -0.07 0.10 -0.20 -0.07 -0.10 -0.15 0.21 -0.24 -0.23 0.13 -0.06 -0.04 0.04 -0.01 -0.05 0.05 -0.10 -0.09 0.08 -0.12 -0.01 -0.00 0.09 0.06 -0.07 0.00 0.05 0.01 -0.01 0.01 0.03 -0.04 -0.00 -0.04 -0.01 -0.01 0.03 -0.03 -0.02 0.12 -0.02 -0.02 0.18 0.22 0.17 -0.02 0.15 -0.00 -0.23 -0.02 0.11 0.02 -0.01 -0.11 -0.03 -0.05 -0.03 -0.01 -0.06 -0.06 -0.00 -0.02 -0.01 0.02 -0.02 -0.03 0.03 -0.02 -0.01 0.03 -0.05 -0.01 0.04 0.01 -0.00 -0.04 -0.08 -0.11 -0.15 -0.03 -0.00 0.06 0.17 0.11 -0.15 0.19 0.09 -0.18 0.01 -0.03 0.03 -0.02 -0.03 0.04 -0.06 -0.04 -0.04 -0.11 -0.01 -0.17 -0.07 0.04 -0.18 -0.12 0.03 -0.27 -0.21 -0.10 -0.16 -0.02 -0.00 0.32 -0.03 -0.02 0.23 0.01 -0.07 0.02 0.05 -0.11 0.02 0.02 -0.04 -0.04 -0.01 -0.09 0.07 -0.04 -0.04 0.07 0.04 0.09 -0.06 0.02 0.19 0.00 -0.04 -0.05 0.06 -0.02 -0.07 0.06 -0.05 -0.06 0.07 -0.06 -0.04 0.05 0.04 0.04 -0.05 0.03 0.03 -0.06 0.03 0.02 -0.05 -0.04 0.04 -0.02 0.02 -0.03 0.02 -0.03 -0.04 0.00 -0.00 -0.05 0.02 0.09 0.05 -0.01 0.06 0.03 -0.12 0.03 0.04 -0.06 0.08 -0.03 0.05 0.02 0.09 -0.03 0.06 0.11 -0.08 0.01 0.06 -0.06 0.02 0.02 -0.07 0.03 0.00 -0.06 0.02 0.00 -0.06 0.08 0.04 -0.00 0.20 0.10 0.13 0.14 0.04 -0.15 -0.11 -0.04 0.09 -0.13 -0.01 0.14 0.03 -0.00 -0.06 -0.01 0.09 -0.08 0.06 0.11 0.05 -0.16 0.07 -0.01 -0.19 0.03 0.01 -0.17 0.16 -0.03 -0.21 0.05 0.01 -0.00 -0.08 0.04 -0.07 -0.06 0.00 0.12 -0.02 0.05 0.26 0.01 0.05 0.13 0.00 0.02 0.05 -0.13 0.24 -0.08 -0.12 0.24 -0.03 -0.06 0.06 -0.05 -0.08 0.04 -0.05 0.00 -0.16 0.02 0.11 -0.14 -0.09 -0.13 -0.12 -0.12 0.03 -0.30 0.02 -0.01 0.02 0.02 -0.00 -0.00 -0.02 0.01 0.02 0.03 0.01 0.02 -0.01 0.02 -0.03 0.02 0.04 0.01 0.01 0.03 -0.06 0.01 -0.02 0.02 0.02 -0.00 0.04 0.07 -0.01 0.01 -0.06 0.05 -0.04 -0.04 0.00 0.00 -0.07 0.03 0.03 -0.06 -0.01 -0.01 -0.05 -0.04 -0.08 0.01 -0.02 -0.07 0.05 -0.00 -0.07 -0.03 0.02 0.08 -0.14 0.02 -0.03 -0.08 0.07 0.24 0.19 -0.02 0.09 0.21 -0.12 -0.00 0.03 -0.01 -0.10 -0.12 -0.01 -0.01 -0.04 -0.03 -0.03 0.08 0.01 0.05 0.12 0.00 0.07 0.09 -0.04 0.04 0.08 0.05 0.07 0.01 0.05 -0.10 0.04 0.05 0.03 -0.05 -0.04 -0.07 0.10 -0.13 -0.06 -0.13 -0.03 -0.21 -0.11 0.05 0.15 -0.26 0.22 0.14 0.08 -0.02 -0.03 0.11 -0.04 -0.03 -0.12 -0.05 -0.13 -0.37 -0.13 -0.19 0.01 0.02 -0.32 -0.06 -0.05 0.08 -0.03 -0.01 0.01 0.02 0.00 -0.02 0.02 -0.00 -0.02 -0.02 -0.00 0.01 0.01 0.00 0.00 -0.02 -0.01 -0.00 -0.01 -0.01 0.02 -0.06 -0.04 0.01 -0.05 0.02 0.03 0.04 -0.03 -0.02 0.03 -0.01 0.01 0.02 0.01 0.01 0.02 0.01 0.00 0.03 -0.01 -0.02 0.03 -0.03 -0.02 0.03 0.06 -0.03 0.07 0.09 0.01 -0.01 0.00 -0.03 0.01 0.01 -0.01 -0.00 -0.02 -0.05 -0.07 0.02 -0.04 -0.07 0.06 -0.02 0.00 0.11 -0.07 0.01 0.01 -0.03 0.01 0.04 0.02 -0.05 0.01 0.06 -0.08 -0.03 0.08 -0.05 0.05 0.08 -0.05 0.04 0.07 -0.01 -0.03 0.03 -0.03 -0.01 -0.01 0.06 -0.09 -0.13 0.17 -0.30 -0.13 -0.00 -0.05 -0.36 0.02 0.05 0.05 -0.08 0.49 0.03 -0.03 0.02 0.01 -0.07 0.04 0.01 0.03 -0.08 0.12 -0.12 -0.28 0.08 0.12 0.10 0.02 0.12 -0.09 0.39 0.18 0.04 -0.06 -0.02 0.01 -0.03 -0.02 0.01 -0.05 0.03 0.05 0.02 -0.02 -0.01 -0.08 0.04 0.01 0.10 0.01 0.00 -0.09 0.37 0.18 0.04 0.28 -0.10 -0.24 -0.09 0.06 -0.04 -0.01 0.07 -0.04 0.02 0.05 0.01 0.02 0.06 0.01 0.01 0.02 -0.01 0.00 -0.02 0.04 -0.04 -0.09 0.03 -0.11 -0.14 -0.01 -0.06 0.01 -0.00 -0.12 0.05 -0.05 -0.10 0.00 0.08 0.01 -0.05 0.03 -0.01 -0.13 0.02 0.00 -0.17 0.10 0.03 0.05 -0.04 0.02 0.06 0.01 -0.09 0.09 0.04 0.00 0.01 0.14 -0.10 0.16 -0.14 -0.28 0.12 0.13 0.01 0.03 -0.09 0.04 0.02 0.25 -0.02 -0.01 0.02 -0.08 -0.02 0.02 -0.04 -0.02 0.02 0.00 0.06 -0.06 0.06 0.08 -0.06 -0.05 -0.11 0.00 -0.03 -0.21 -0.06 0.02 -0.02 0.07 -0.04 -0.09 0.06 0.05 0.05 0.04 0.05 -0.03 0.17 -0.00 -0.00 -0.00 -0.01 0.00 -0.03 0.00 -0.00 -0.03 0.01 0.01 0.00 0.00 -0.01 -0.02 0.01 0.01 0.04 0.01 0.01 0.03 -0.00 -0.00 -0.01 -0.00 -0.01 0.01 -0.02 -0.01 -0.03 0.02 -0.01 -0.01 -0.02 0.01 -0.02 -0.05 -0.00 0.01 -0.01 0.00 -0.04 -0.01 0.00 -0.02 -0.02 0.03 -0.02 0.01 0.05 -0.01 0.04 0.01 -0.01 0.06 0.01 0.01 0.05 0.03 -0.03 0.03 -0.03 0.02 0.02 -0.06 0.02 -0.03 0.05 -0.04 -0.00 0.01 -0.04 -0.05 0.01 -0.05 0.05 0.01 0.03 0.11 -0.01 0.08 0.05 -0.04 -0.01 0.02 0.06 0.06 0.02 0.02 0.07 0.01 0.02 0.10 -0.02 -0.01 -0.05 0.02 -0.07 -0.04 -0.04 -0.00 -0.11 -0.04 0.01 0.02 -0.09 0.07 0.02 -0.02 -0.00 -0.00 -0.01 -0.02 -0.01 0.01 -0.02 0.07 0.52 0.12 0.19 -0.27 -0.25 0.48 -0.19 0.04 -0.38 0.06 0.03 0.01 0.05 0.02 0.06 0.02 0.02 0.08 0.03 0.01 0.01 0.04 -0.01 0.06 0.03 -0.04 -0.10 0.03 -0.03 -0.08 0.08 0.05 0.02 0.07 0.02 -0.03 0.06 0.06 0.07 -0.01 0.00 0.04 0.07 0.01 0.03 0.11 0.05 -0.02 -0.01 -0.01 0.06 -0.02 -0.08 0.02 0.03 -0.06 0.03 -0.02 -0.07 0.04 0.02 0.00 -0.00 0.06 -0.04 0.03 0.04 -0.05 -0.08 -0.09 0.12 -0.07 -0.07 0.24 -0.03 0.09 -0.09 0.01 -0.07 -0.02 0.07 0.11 -0.01 0.08 -0.08 0.04 0.01 -0.24 0.01 -0.05 -0.09 0.16 0.12 -0.03 -0.03 -0.04 0.02 -0.05 -0.23 0.01 -0.07 -0.29 -0.10 -0.05 -0.01 -0.11 -0.08 -0.01 -0.17 -0.07 -0.04 -0.09 0.09 -0.02 -0.09 0.10 -0.02 0.12 -0.02 0.03 0.08 0.03 0.05 -0.06 -0.09 -0.04 0.18 0.07 0.02 -0.19 -0.28 0.14 -0.19 -0.05 -0.33 0.00 -0.03 -0.08 0.01 -0.01 -0.02 0.00 -0.00 0.01 -0.01 -0.02 -0.07 0.00 0.02 0.06 -0.01 -0.01 -0.12 -0.01 0.01 0.05 0.02 -0.00 -0.09 0.00 -0.02 -0.12 0.00 0.03 -0.01 0.00 -0.02 0.03 0.01 -0.01 -0.07 0.03 -0.04 -0.09 -0.00 -0.02 -0.01 0.00 -0.02 -0.00 0.00 -0.02 -0.00 -0.01 -0.03 -0.00 -0.00 -0.00 0.02 -0.02 -0.00 0.00 -0.01 0.01 0.05 0.04 -0.01 0.03 0.06 -0.02 -0.01 0.01 -0.03 0.00 -0.00 -0.05 0.01 0.03 -0.02 -0.06 -0.05 0.03 0.13 0.22 -0.17 0.44 -0.05 0.01 -0.17 -0.34 0.30 0.35 -0.01 0.00 0.05 -0.01 -0.02 -0.26 -0.02 0.00 0.02 -0.03 0.04 0.02 -0.03 -0.02 0.06 -0.01 0.01 -0.00 -0.03 -0.34 0.01 0.01 0.09 0.01 0.00 0.16 0.05 0.03 -0.01 0.02 0.01 -0.04 0.01 0.05 0.03 0.01 0.06 -0.02 0.06 0.01 0.01 -0.00 0.00 0.02 0.03 0.01 0.01 0.03 -0.01 -0.01 0.00 0.01 -0.02 -0.01 -0.01 -0.01 0.03 -0.00 -0.03 -0.06 0.03 0.05 -0.01 0.02 0.01 -0.03 0.00 0.03 0.03 -0.01 0.00 -0.01 -0.07 -0.03 -0.01 -0.11 -0.08 0.05 -0.01 0.01 0.02 -0.02 0.05 0.01 0.00 0.05 0.02 0.03 0.05 0.02 0.02 0.01 -0.01 0.07 -0.01 0.03 0.05 -0.01 -0.09 -0.07 0.08 -0.05 -0.08 0.15 0.01 -0.00 0.06 0.01 -0.00 -0.02 0.05 -0.11 -0.05 -0.09 0.07 -0.03 0.01 0.51 -0.08 0.27 0.08 -0.20 -0.43 -0.29 0.16 0.23 -0.00 -0.04 -0.08 -0.01 -0.01 0.08 0.01 0.01 -0.01 0.02 -0.02 -0.01 0.05 0.04 -0.04 -0.00 -0.07 0.01 0.01 0.20 0.00 0.07 -0.09 0.00 0.05 -0.12 -0.02 -0.03 0.04 0.00 -0.08 0.04 -0.01 -0.01 0.05 -0.04 -0.02 0.04 0.03 0.01 -0.02 -0.02 -0.00 -0.02 0.01 -0.01 -0.01 0.02 -0.01 -0.01 -0.01 -0.02 0.02 0.02 -0.01 0.00 -0.04 -0.02 0.01 0.00 0.03 -0.00 -0.01 0.02 -0.03 -0.05 -0.01 0.00 0.01 -0.03 0.01 0.01 0.00 -0.01 -0.01 0.02 -0.01 -0.03 -0.00 0.00 0.02 0.01 0.01 0.02 -0.00 -0.04 0.02 -0.02 -0.06 -0.01 -0.03 -0.01 0.02 -0.07 -0.02 -0.02 -0.05 -0.01 0.06 0.03 -0.03 0.01 0.04 -0.05 -0.02 0.02 -0.07 0.04 0.01 -0.01 0.02 0.02 -0.01 0.01 -0.02 -0.01 0.01 -0.01 -0.03 0.03 -0.02 0.00 -0.02 -0.05 0.01 0.03 -0.02 0.01 -0.02 -0.01 0.00 -0.11 0.03 0.01 0.03 -0.01 0.01 0.03 0.07 0.02 0.03 0.05 -0.03 -0.02 0.18 0.89 -0.07 -0.01 0.04 0.00 0.02 0.05 0.01 -0.01 0.03 -0.05 0.08 0.13 -0.03 -0.06 -0.06 0.01 -0.07 0.04 -0.20 0.01 0.03 -0.05 -0.08 0.02 -0.01 0.00 -0.02 -0.03 0.06 0.05 -0.06 0.03 -0.08 0.03 0.07 -0.04 -0.03 0.09 -0.05 0.11 0.02 0.10 -0.07 0.04 -0.03 -0.04 -0.15 0.05 -0.03 0.04 -0.13 0.01 0.06 0.06 -0.05 0.08 0.11 -0.09 -0.03 0.04 -0.01 -0.08 0.02 0.05 -0.08 0.03 0.05 -0.07 0.05 0.07 0.13 -0.03 -0.05 0.26 -0.04 0.06 0.19 0.01 -0.20 -0.01 -0.06 -0.01 -0.04 -0.06 0.05 -0.09 0.05 0.04 -0.00 0.04 -0.02 0.10 0.02 -0.01 0.08 0.07 0.04 -0.06 0.04 -0.00 0.08 0.08 0.25 0.25 0.10 -0.02 0.09 -0.01 0.18 0.02 -0.08 -0.06 -0.08 -0.01 0.02 -0.12 -0.02 0.02 -0.03 0.01 0.02 -0.09 -0.07 -0.03 -0.01 0.34 -0.05 0.01 -0.01 -0.01 0.09 0.00 0.01 -0.09 0.03 0.04 -0.31 -0.05 -0.02 0.04 0.16 -0.14 0.03 -0.01 0.24 0.04 0.01 0.01 -0.00 0.03 -0.00 -0.04 0.05 0.00 0.02 -0.05 0.02 -0.08 -0.03 -0.05 0.02 -0.05 0.01 -0.05 -0.03 -0.04 0.07 0.05 0.02 0.06 -0.00 -0.03 0.01 0.02 -0.00 -0.07 -0.06 -0.07 0.03 -0.04 0.00 0.03 -0.01 -0.01 -0.02 -0.06 -0.01 -0.01 -0.07 -0.03 -0.01 -0.03 -0.03 -0.01 -0.01 0.01 0.10 0.14 0.07 0.21 0.09 0.16 0.16 0.21 -0.06 0.04 0.20 0.06 0.01 0.18 0.10 0.02 -0.03 -0.06 -0.07 -0.08 0.01 0.04 -0.03 0.02 0.00 -0.04 0.07 -0.13 -0.07 0.03 0.00 -0.00 0.23 0.12 -0.04 0.02 -0.05 0.02 -0.07 0.04 -0.04 0.03 -0.07 -0.03 0.01 -0.07 0.02 0.01 -0.04 -0.04 0.06 -0.08 -0.11 0.01 -0.05 0.22 -0.01 -0.14 -0.00 -0.07 -0.19 0.03 -0.06 0.21 0.04 -0.04 0.22 0.10 -0.04 0.24 0.23 -0.04 0.38 -0.08 -0.04 0.07 -0.01 -0.06 0.04 -0.01 -0.00 -0.00 -0.01 0.03 -0.03 0.01 -0.01 0.02 0.05 0.04 -0.03 0.04 -0.01 -0.02 0.03 -0.03 0.18 0.05 0.01 0.11 -0.05 -0.18 0.06 0.03 0.02 -0.01 0.08 0.04 -0.09 -0.02 -0.03 -0.13 -0.04 0.01 -0.04 -0.01 -0.01 -0.03 0.06 -0.04 0.02 -0.00 -0.04 0.02 -0.04 -0.12 -0.09 -0.05 -0.01 -0.16 -0.04 -0.07 -0.12 -0.09 0.06 -0.03 -0.05 -0.03 -0.02 -0.03 -0.04 0.04 -0.05 -0.00 -0.04 -0.03 0.01 -0.11 -0.03 -0.08 -0.01 0.02 0.06 -0.30 0.01 -0.08 -0.01 0.08 0.42 0.29 -0.02 -0.08 -0.02 -0.01 -0.08 -0.03 0.04 -0.06 -0.02 0.04 -0.05 0.02 0.02 -0.04 0.05 0.07 -0.07 -0.06 -0.14 0.03 -0.11 -0.02 0.03 0.14 -0.02 0.05 0.22 -0.06 0.04 0.11 0.11 0.07 0.19 0.04 0.09 0.08 0.25 0.15 0.18 0.06 0.12 0.07 -0.02 -0.09 -0.01 0.01 -0.00 -0.01 0.02 0.01 -0.02 -0.06 -0.05 -0.03 -0.04 -0.01 -0.02 -0.06 -0.00 -0.04 -0.05 0.02 0.19 0.10 -0.04 0.12 -0.08 -0.24 -0.03 0.05 0.00 -0.01 -0.07 -0.02 -0.04 -0.03 -0.07 -0.06 -0.08 -0.04 0.01 0.02 -0.00 0.01 0.06 0.02 -0.00 0.01 0.02 0.00 -0.00 -0.01 -0.04 0.04 0.04 -0.08 0.05 0.01 -0.06 0.02 0.09 -0.01 0.09 0.01 0.03 0.14 -0.04 -0.02 0.01 0.05 0.04 -0.02 0.03 -0.06 -0.02 -0.09 0.07 -0.06 0.11 -0.17 -0.09 0.02 0.09 -0.09 0.50 0.42 0.01 -0.01 -0.04 -0.04 0.07 -0.02 -0.06 0.02 0.08 0.03 -0.01 0.09 -0.02 -0.00 0.08 0.05 -0.06 0.09 0.08 -0.00 0.07 -0.15 0.01 -0.02 -0.04 -0.03 -0.18 0.03 -0.01 -0.12 -0.00 0.01 -0.12 -0.02 0.01 -0.14 -0.14 0.01 -0.23 0.07 -0.02 -0.04 -0.01 -0.05 -0.02 -0.00 -0.03 0.03 0.04 -0.04 -0.10 0.02 -0.02 0.03 0.07 -0.01 -0.12 0.09 0.02 -0.06 0.06 -0.01 0.01 -0.01 0.00 -0.03 -0.01 -0.11 -0.08 -0.00 -0.06 0.07 0.08 0.02 -0.11 -0.01 -0.02 -0.16 -0.13 0.05 0.03 0.01 -0.02 0.03 -0.10 0.04 -0.02 -0.08 0.05 -0.08 -0.07 0.10 0.12 0.06 -0.06 0.25 0.05 0.06 0.18 0.11 -0.20 0.01 0.01 0.01 -0.12 -0.10 0.16 0.00 -0.09 0.04 0.04 0.02 -0.02 -0.20 0.04 -0.11 0.04 -0.00 0.02 0.01 0.03 -0.02 0.05 -0.11 0.16 0.20 0.04 -0.03 -0.06 -0.03 0.03 -0.12 0.10 0.07 -0.01 -0.07 0.08 -0.07 -0.03 0.07 -0.08 -0.12 0.12 0.03 0.04 -0.02 0.10 0.07 -0.02 0.06 0.00 0.05 0.44 -0.23 -0.02 0.03 -0.10 -0.02 -0.04 -0.07 -0.04 0.08 -0.07 -0.09 0.08 -0.14 -0.00 0.04 0.00 0.00 0.00 0.00 0.04 -0.02 -0.02 0.04 0.01 -0.01 0.02 -0.05 -0.02 0.00 0.01 -0.01 -0.03 -0.01 0.00 -0.02 0.10 0.06 0.02 0.07 -0.03 -0.07 0.02 0.02 0.05 -0.08 -0.04 -0.03 0.00 -0.01 0.03 0.01 0.01 0.01 -0.01 -0.00 0.04 -0.00 0.03 0.02 0.02 0.03 0.02 0.05 0.04 0.02 0.02 -0.03 -0.01 0.07 -0.08 0.01 0.05 -0.01 -0.06 0.02 -0.01 -0.03 -0.18 -0.22 0.19 -0.01 0.05 0.02 0.01 -0.01 0.05 0.02 -0.03 0.03 -0.01 -0.01 0.00 -0.01 -0.01 0.00 -0.01 0.00 -0.01 -0.02 -0.02 0.01 -0.01 0.01 -0.12 0.01 -0.01 -0.13 0.03 -0.01 -0.05 0.07 -0.11 -0.05 0.04 0.03 -0.15 0.01 0.01 0.01 -0.05 -0.15 0.02 -0.10 0.05 -0.02 0.76 -0.29 -0.07 -0.01 0.03 -0.01 -0.01 0.07 -0.01 -0.02 -0.00 -0.01 -0.02 0.03 -0.06 -0.06 -0.00 0.01 -0.02 0.02 -0.04 -0.03 0.03 -0.01 0.03 -0.02 -0.04 -0.01 -0.02 0.02 0.04 -0.04 0.03 0.01 -0.02 0.10 -0.19 -0.08 -0.07 -0.12 0.06 0.16 0.01 -0.01 -0.03 -0.00 -0.04 0.00 0.08 0.02 -0.05 0.12 0.10 -0.11 -0.01 -0.01 -0.05 -0.00 -0.02 -0.05 -0.03 -0.01 -0.06 -0.07 -0.02 -0.07 -0.11 0.04 0.03 -0.21 0.07 -0.06 -0.16 -0.00 0.14 -0.01 0.08 -0.01 -0.12 -0.04 0.09 -0.00 -0.04 -0.06 -0.02 -0.03 -0.04 0.13 0.01 0.03 0.00 -0.00 0.00 0.00 -0.04 0.04 -0.00 0.02 -0.00 -0.02 0.03 0.02 0.01 0.04 0.27 0.05 -0.02 0.17 0.00 0.03 0.03 -0.01 0.13 0.04 -0.00 -0.01 0.14 0.02 0.01 -0.01 0.06 0.10 -0.01 0.05 -0.06 0.03 0.60 -0.31 -0.03 0.02 -0.02 0.00 0.07 -0.06 0.01 -0.00 -0.00 0.05 0.01 -0.01 0.02 -0.04 0.09 -0.03 -0.08 0.07 0.01 -0.07 -0.02 0.06 -0.04 0.08 -0.01 -0.06 -0.05 0.03 -0.06 -0.01 -0.01 -0.03 -0.03 0.06 0.04 0.16 0.00 0.01 0.03 -0.10 -0.07 0.13 0.03 -0.09 -0.09 -0.00 0.04 0.04 0.06 0.12 0.09 -0.03 -0.04 -0.01 0.05 0.01 -0.06 0.01 -0.08 -0.02 0.02 -0.17 -0.03 0.04 -0.05 -0.06 0.02 -0.06 -0.10 -0.01 -0.05 -0.06 0.01 -0.01 -0.04 -0.02 0.06 0.03 -0.09 -0.04 -0.06 0.04 -0.09 0.02 0.04 0.11 0.02 0.16 0.10 0.07 -0.00 0.22 0.11 0.03 0.12 -0.09 -0.01 0.14 0.16 0.01 -0.03 -0.01 0.11 -0.10 -0.03 -0.02 0.06 -0.09 -0.07 0.11 -0.27 -0.07 0.04 -0.04 -0.24 0.07 0.06 -0.00 -0.02 -0.16 0.01 0.05 -0.06 -0.02 -0.16 0.07 0.02 0.14 0.03 -0.11 0.18 0.22 -0.09 0.14 0.06 -0.10 0.23 -0.07 -0.25 0.06 -0.05 0.02 0.00 -0.05 -0.00 -0.03 0.05 -0.03 -0.04 -0.03 0.07 -0.04 -0.00 0.06 -0.07 -0.05 -0.04 -0.09 -0.04 0.01 0.18 0.01 0.10 0.11 -0.10 -0.11 -0.01 -0.08 -0.02 -0.00 -0.05 0.05 0.06 0.12 0.03 0.17 0.27 -0.11 -0.04 0.08 -0.05 -0.03 0.03 -0.04 -0.02 -0.08 -0.04 -0.04 -0.14 -0.13 0.03 0.06 -0.03 0.08 0.08 0.02 0.04 0.10 -0.07 0.01 -0.00 0.03 0.02 -0.02 0.01 0.01 -0.16 0.03 -0.06 0.10 -0.07 0.16 0.17 0.24 0.07 -0.10 -0.06 0.26 0.05 -0.10 0.08 -0.26 -0.21 0.01 -0.16 -0.06 -0.09 -0.07 -0.14 -0.07 -0.06 -0.26 0.01 0.02 -0.02 0.02 0.02 -0.02 0.03 0.03 -0.02 -0.00 0.01 -0.00 -0.02 -0.02 -0.00 0.05 0.03 0.02 0.05 0.09 0.06 -0.02 0.01 0.08 0.03 -0.12 0.09 -0.04 0.10 0.14 0.00 0.02 0.18 0.02 0.09 -0.02 0.10 0.07 -0.03 0.02 -0.05 0.04 -0.05 0.08 0.02 -0.01 -0.07 0.01 -0.06 -0.02 -0.03 0.01 -0.07 -0.01 0.05 0.05 0.04 0.01 0.12 -0.06 0.20 0.11 0.02 -0.03 -0.10 -0.03 -0.06 0.03 0.06 -0.05 0.04 0.05 -0.04 -0.02 0.00 0.01 -0.05 -0.07 0.08 0.03 -0.10 0.06 0.06 -0.05 -0.01 -0.08 0.04 -0.05 -0.10 -0.01 -0.03 -0.13 0.07 -0.01 -0.01 -0.03 -0.01 0.00 -0.01 0.13 0.04 -0.18 -0.09 0.02 -0.03 -0.04 0.01 0.06 0.08 0.07 -0.00 0.17 0.13 -0.01 0.10 -0.08 0.02 0.15 0.13 -0.01 0.00 -0.12 -0.12 -0.15 -0.08 -0.15 -0.02 0.06 0.11 -0.07 0.37 0.11 -0.05 -0.05 0.40 0.01 -0.00 0.01 0.12 0.17 -0.00 -0.09 0.01 -0.05 0.04 0.01 -0.03 0.00 -0.10 0.05 0.04 -0.25 0.05 -0.02 -0.05 0.10 -0.02 -0.06 0.15 0.03 0.03 -0.05 0.06 0.06 -0.00 0.03 0.05 -0.04 -0.05 -0.07 -0.02 -0.01 0.05 -0.04 -0.07 -0.01 0.04 -0.11 0.01 0.01 0.11 0.10 -0.01 0.04 0.05 -0.19 0.04 0.07 -0.00 0.05 0.05 -0.01 0.15 0.01 0.03 0.29 0.03 -0.13 0.09 -0.00 0.03 0.04 -0.02 0.05 0.09 0.14 0.05 0.19 0.23 0.19 -0.07 0.01 -0.06 -0.14 0.05 -0.12 -0.10 0.01 0.02 -0.01 -0.09 -0.02 -0.01 -0.15 -0.05 0.02 0.28 -0.08 0.11 0.01 0.02 0.22 0.09 0.23 0.02 -0.11 0.03 0.07 -0.11 0.06 0.04 -0.20 0.07 0.08 -0.02 0.04 -0.10 -0.01 0.15 -0.01 0.04 0.20 -0.08 -0.01 0.02 -0.12 0.03 0.02 -0.09 -0.03 0.07 -0.11 -0.03 -0.00 -0.09 0.04 -0.01 -0.00 -0.01 0.01 -0.04 -0.04 -0.02 0.00 -0.01 -0.05 -0.06 0.09 -0.06 0.03 -0.11 -0.12 -0.03 -0.00 -0.12 -0.04 -0.02 -0.01 0.01 -0.03 -0.03 0.12 -0.03 -0.06 -0.07 0.06 0.00 0.15 -0.03 -0.04 -0.08 -0.01 -0.04 0.09 -0.09 0.03 -0.02 -0.07 0.03 -0.04 -0.01 -0.03 -0.07 -0.05 -0.07 0.21 -0.03 -0.02 -0.02 0.05 0.04 -0.03 -0.07 0.07 0.13 0.05 0.01 0.04 0.04 0.05 0.01 -0.09 0.06 -0.11 -0.18 -0.06 -0.07 -0.00 0.08 -0.28 0.13 -0.07 -0.19 -0.16 0.29 0.00 0.09 0.03 -0.00 0.07 0.03 0.04 -0.20 0.20 0.19 0.12 -0.05 -0.09 0.11 -0.02 0.04 0.04 -0.03 0.13 0.11 -0.04 0.06 -0.09 -0.05 0.07 0.05 -0.04 0.09 -0.23 0.05 -0.17 -0.08 -0.09 -0.04 -0.02 -0.06 -0.04 -0.17 -0.06 -0.03 0.03 -0.19 -0.09 -0.05 -0.00 -0.16 -0.03 -0.00 -0.09 0.03 0.00 0.11 -0.09 -0.03 0.00 0.05 -0.02 -0.03 0.08 -0.02 0.01 -0.03 -0.05 -0.05 0.07 -0.04 -0.04 -0.12 -0.07 0.12 -0.11 0.06 -0.02 -0.03 0.08 -0.02 0.05 -0.11 -0.11 -0.00 -0.04 -0.04 0.08 -0.01 -0.08 0.08 0.04 -0.16 -0.26 -0.10 -0.12 0.00 0.06 0.19 -0.04 0.11 -0.16 -0.02 -0.08 0.04 0.06 -0.05 0.15 0.06 -0.17 -0.02 0.06 0.08 0.02 0.03 0.03 0.15 -0.09 0.03 0.19 -0.13 -0.06 0.06 -0.02 0.02 0.15 -0.08 0.09 0.10 0.02 -0.07 0.00 0.02 0.01 0.04 0.12 -0.00 0.14 -0.11 0.08 -0.01 0.04 0.10 0.14 0.03 0.06 0.02 0.11 -0.05 0.02 0.09 -0.03 0.02 0.09 -0.03 0.04 0.14 -0.04 -0.07 0.18 0.33 -0.01 0.12 0.26 -0.01 0.01 -0.03 -0.00 -0.05 -0.03 0.01 0.04 -0.08 -0.03 -0.01 0.00 -0.06 -0.03 0.00 -0.02 -0.11 -0.07 -0.11 -0.12 -0.09 -0.02 0.02 0.05 -0.01 -0.03 0.05 -0.04 0.01 0.07 -0.05 0.05 0.07 0.01 0.09 0.10 0.10 0.09 0.07 -0.02 0.12 -0.02 0.06 -0.00 0.00 -0.06 -0.03 0.01 0.04 -0.11 -0.05 -0.05 -0.05 0.06 -0.19 -0.03 -0.02 -0.08 0.23 0.27 0.11 0.07 0.07 -0.01 -0.12 -0.02 -0.07 0.01 -0.08 -0.26 -0.16 0.15 0.02 0.09 0.00 0.02 0.00 0.04 0.07 -0.06 0.05 -0.08 -0.14 -0.03 -0.06 0.10 -0.11 -0.08 0.13 -0.12 -0.08 0.09 -0.06 0.00 -0.09 -0.00 -0.04 -0.26 -0.03 0.19 -0.20 0.11 0.03 0.03 0.05 -0.24 0.01 -0.36 0.02 0.01 0.00 0.00 -0.00 0.01 0.01 0.02 0.01 0.02 0.01 0.00 -0.06 0.03 0.02 0.04 -0.11 -0.20 -0.01 -0.04 -0.00 -0.02 -0.11 -0.00 -0.03 -0.02 -0.07 -0.01 -0.01 0.00 -0.02 -0.02 0.00 -0.01 -0.03 -0.04 -0.05 0.01 -0.02 0.02 0.00 0.00 0.02 0.02 0.00 0.02 -0.00 -0.00 0.02 -0.01 -0.00 -0.05 0.11 0.00 0.02 0.13 0.01 0.04 0.02 0.04 -0.02 -0.04 -0.03 0.04 0.03 -0.04 -0.03 0.02 0.03 -0.01 0.01 -0.04 -0.14 0.07 -0.06 -0.09 0.18 0.06 0.06 0.15 0.04 0.04 0.07 -0.01 0.07 -0.06 0.02 0.16 -0.01 -0.08 0.01 -0.05 0.02 -0.01 0.04 -0.04 -0.05 -0.10 -0.05 -0.35 -0.28 -0.24 0.07 -0.04 0.00 0.11 -0.07 0.04 0.08 -0.08 -0.08 0.01 -0.03 -0.02 -0.06 -0.08 0.07 0.17 -0.41 0.16 -0.02 -0.09 0.05 0.14 -0.05 0.14 -0.01 -0.07 0.04 -0.02 -0.13 0.09 -0.01 -0.08 0.09 0.02 0.04 0.06 -0.01 -0.02 0.06 0.01 0.06 0.24 0.02 0.05 -0.05 0.05 0.03 -0.05 0.05 0.07 -0.07 -0.01 -0.01 0.00 -0.05 0.01 0.00 -0.02 0.02 0.01 -0.08 0.01 -0.01 -0.05 0.02 0.03 -0.05 -0.08 0.03 -0.06 0.01 0.05 -0.09 0.07 0.09 0.04 0.04 0.06 -0.05 -0.00 -0.05 -0.01 -0.01 -0.06 0.01 0.01 0.08 -0.05 0.01 -0.04 -0.01 0.06 -0.17 -0.05 0.11 0.18 0.20 0.12 0.16 0.13 -0.08 -0.10 -0.06 -0.06 -0.08 -0.00 -0.07 -0.07 0.02 -0.11 0.16 -0.06 -0.22 0.27 0.10 -0.07 0.03 0.06 0.03 -0.03 -0.03 0.00 -0.04 -0.06 -0.03 -0.09 0.02 0.02 -0.02 0.07 0.01 0.03 0.04 0.06 -0.06 -0.00 0.01 0.00 0.04 0.07 -0.03 -0.04 -0.04 0.04 0.12 0.01 -0.03 -0.10 -0.08 -0.00 -0.01 0.02 0.01 -0.02 0.02 0.00 -0.02 0.08 -0.04 -0.08 -0.04 0.02 -0.05 0.18 0.29 0.03 0.07 -0.44 0.01 0.09 -0.04 0.02 0.15 -0.04 0.02 0.08 0.01 -0.03 -0.03 0.00 -0.08 0.03 0.00 0.03 -0.12 -0.04 -0.05 -0.17 -0.09 -0.02 -0.03 0.00 -0.07 -0.11 -0.01 -0.02 -0.13 -0.02 -0.13 0.06 0.06 -0.00 0.02 -0.00 -0.01 0.01 -0.05 -0.01 -0.02 -0.01 0.03 0.01 0.00 -0.08 -0.01 0.06 0.01 -0.03 0.06 -0.08 -0.01 -0.04 -0.06 -0.03 -0.03 -0.02 0.03 0.08 -0.03 0.02 -0.05 -0.07 -0.02 0.06 0.03 -0.00 -0.03 -0.03 -0.06 0.04 0.08 0.00 -0.03 0.05 0.02 0.01 -0.02 -0.00 0.01 -0.07 -0.03 -0.01 0.03 -0.04 0.02 0.05 -0.04 0.04 0.04 -0.02 0.00 -0.02 -0.03 0.01 0.44 0.54 -0.43 -0.02 -0.04 0.08 0.16 0.03 -0.06 -0.04 0.02 -0.11 0.01 0.03 -0.00 0.01 0.03 -0.00 0.01 0.04 0.00 0.02 0.04 -0.01 -0.09 0.03 -0.19 0.03 -0.02 0.03 0.00 0.03 -0.02 -0.01 0.02 -0.02 -0.00 0.03 -0.02 -0.03 -0.02 -0.00 -0.05 0.01 -0.00 -0.01 0.03 0.03 0.32 -0.01 0.07 0.01 -0.02 -0.01 -0.04 -0.04 -0.02 0.02 -0.09 -0.04 -0.06 0.03 0.01 -0.01 -0.03 -0.02 -0.03 -0.05 -0.05 -0.04 -0.00 -0.01 0.02 0.05 -0.02 -0.05 -0.02 0.04 -0.02 -0.07 0.08 -0.07 -0.07 -0.06 -0.02 -0.07 -0.01 -0.00 -0.06 0.04 -0.05 -0.05 -0.05 -0.02 -0.02 0.06 0.05 -0.08 0.03 0.03 -0.15 0.06 0.05 -0.06 0.04 0.06 0.03 -0.00 -0.00 -0.01 0.00 0.03 -0.01 -0.02 -0.02 0.05 -0.03 0.04 0.00 0.01 0.00 0.11 -0.08 0.02 0.03 -0.01 -0.37 -0.47 0.37 -0.07 0.01 0.06 0.05 -0.08 0.05 0.02 -0.10 -0.05 0.04 0.15 -0.03 0.05 0.14 -0.01 0.05 0.13 -0.01 0.06 0.17 -0.02 -0.08 -0.07 -0.18 -0.05 -0.08 0.11 0.01 0.08 -0.04 0.02 0.10 -0.04 0.03 0.08 -0.02 -0.02 -0.02 0.00 -0.07 0.02 0.00 0.06 0.06 0.04 -0.16 0.23 0.10 -0.00 -0.03 -0.00 -0.05 -0.07 -0.01 -0.00 -0.14 -0.03 -0.10 0.05 0.02 0.04 0.03 0.01 0.13 0.01 -0.16 0.01 -0.03 -0.10 0.00 0.03 0.03 0.00 0.00 0.00 -0.04 -0.01 0.01 -0.05 -0.01 0.02 -0.08 -0.21 0.04 -0.04 0.14 0.14 0.09 -0.01 -0.18 0.06 -0.02 0.02 0.02 -0.12 0.07 0.09 0.02 -0.01 -0.06 -0.16 -0.06 -0.10 -0.02 0.09 0.06 -0.02 -0.03 0.04 -0.00 0.02 -0.00 0.05 -0.03 0.00 0.08 -0.01 -0.00 0.07 -0.02 -0.00 0.01 0.01 0.11 0.11 -0.11 0.10 -0.00 -0.10 0.04 -0.13 -0.09 0.12 -0.18 0.17 0.02 0.09 -0.00 0.02 0.07 0.01 0.02 0.09 0.01 0.02 0.11 0.00 -0.05 -0.06 -0.06 -0.06 -0.02 -0.10 -0.03 -0.14 0.08 -0.03 -0.31 0.08 -0.01 -0.08 -0.07 0.05 0.04 -0.00 0.15 -0.06 0.00 0.01 0.00 0.01 0.09 -0.03 0.01 -0.11 0.21 0.06 -0.10 0.36 0.07 -0.10 0.25 0.04 -0.01 0.11 -0.05 -0.02 -0.03 -0.01 -0.02 -0.04 0.08 -0.03 0.06 0.01 -0.04 0.02 -0.04 0.08 0.01 -0.02 -0.01 -0.02 -0.02 0.10 -0.07 -0.02 0.06 0.06 0.01 0.02 -0.08 -0.11 -0.02 -0.05 0.08 0.09 0.05 0.00 0.00 -0.08 0.07 0.08 -0.06 -0.03 -0.08 -0.04 0.10 -0.02 -0.00 -0.04 0.01 -0.02 -0.01 0.11 -0.00 -0.01 -0.04 0.17 -0.12 0.02 0.18 -0.07 -0.02 0.25 -0.13 -0.01 -0.06 0.03 0.36 0.23 -0.44 -0.01 0.02 -0.04 -0.15 -0.08 0.14 0.09 -0.15 0.14 0.01 0.05 -0.01 0.01 0.02 0.02 0.01 0.03 0.02 0.03 0.12 -0.00 0.11 -0.13 0.15 -0.09 -0.06 0.18 0.02 0.06 -0.03 0.05 0.12 -0.03 0.04 0.05 0.02 0.01 -0.00 0.01 -0.02 0.00 0.01 -0.04 0.02 0.02 0.21 -0.11 -0.01 0.01 -0.03 -0.00 0.05 -0.08 0.00 -0.01 0.01 0.04 0.01 -0.03 0.02 0.07 0.04 0.23 -0.05 -0.05 0.20 0.08 0.02 -0.00 -0.00 0.02 0.01 0.08 0.05 -0.06 -0.14 0.01 -0.02 -0.13 -0.01 0.02 0.20 0.25 0.24 0.17 -0.09 0.07 -0.10 -0.24 0.13 0.14 0.03 -0.04 0.07 -0.05 -0.23 0.08 0.07 -0.26 0.01 -0.11 -0.14 -0.05 -0.01 -0.05 -0.04 0.01 0.05 0.12 0.05 0.03 0.03 -0.06 0.04 -0.04 -0.01 -0.01 -0.00 -0.13 0.09 -0.00 -0.00 -0.01 0.02 0.09 0.01 -0.03 0.07 -0.06 -0.04 -0.28 -0.00 0.13 -0.05 -0.14 0.03 0.12 -0.02 0.05 0.15 -0.03 0.03 0.12 -0.03 0.03 0.13 -0.02 -0.12 -0.16 0.12 -0.13 0.02 -0.01 0.01 0.02 -0.01 0.04 0.06 -0.01 0.01 0.01 0.02 0.02 0.00 0.00 0.02 0.01 0.00 -0.02 -0.00 0.00 -0.02 -0.10 -0.06 -0.01 -0.00 -0.01 0.01 -0.01 -0.01 -0.02 0.03 0.01 0.01 -0.02 -0.01 -0.00 0.02 -0.00 0.03 0.03 -0.04 -0.01 -0.02 -0.04 -0.03 0.01 0.03 -0.01 -0.04 0.04 -0.00 0.09 0.08 0.08 0.03 0.06 -0.09 -0.09 -0.01 -0.06 0.10 0.08 -0.11 0.05 -0.08 -0.04 -0.08 -0.01 -0.05 -0.01 -0.06 0.10 0.27 -0.27 -0.11 -0.10 -0.08 0.05 0.02 0.04 0.06 -0.00 0.17 -0.03 -0.04 0.15 -0.02 0.04 -0.02 -0.01 0.04 -0.01 -0.02 0.06 -0.02 0.00 0.01 0.00 -0.00 -0.03 -0.02 0.04 -0.03 0.25 -0.07 -0.16 -0.04 0.15 -0.02 0.24 -0.01 -0.03 0.01 -0.00 -0.01 -0.00 -0.01 -0.04 0.01 -0.01 -0.04 0.00 0.06 -0.02 -0.40 -0.06 0.02 -0.38 0.02 0.10 -0.05 0.03 0.07 -0.06 0.07 0.13 -0.07 -0.01 -0.02 0.00 -0.09 0.01 0.00 -0.00 -0.05 -0.04 -0.02 0.01 -0.01 0.04 -0.06 -0.01 -0.04 -0.07 -0.03 0.05 -0.21 -0.07 -0.06 0.01 -0.01 0.03 0.04 0.04 0.02 0.00 -0.06 -0.00 -0.03 -0.06 0.02 -0.00 0.01 -0.02 0.02 -0.03 0.03 -0.09 -0.15 -0.04 -0.03 -0.09 0.00 -0.01 0.04 0.01 0.07 0.04 -0.12 -0.01 -0.12 -0.01 0.10 0.03 -0.08 0.03 0.06 -0.08 0.19 0.04 -0.10 -0.03 -0.06 0.01 0.00 0.01 0.05 -0.01 0.12 0.03 -0.01 0.14 0.01 -0.04 0.03 0.01 -0.04 0.03 0.02 -0.03 0.02 0.00 0.02 -0.00 -0.01 0.04 0.04 0.02 0.01 0.14 -0.07 0.04 -0.13 -0.03 -0.02 0.09 0.00 -0.00 0.00 0.01 -0.00 0.01 0.01 -0.01 0.00 0.00 0.00 0.00 -0.01 0.11 0.65 0.08 -0.02 0.50 0.01 0.06 -0.03 0.02 0.04 -0.03 0.04 0.07 -0.04 0.00 -0.01 0.00 -0.04 0.01 0.00 0.02 0.05 0.05 0.05 0.05 0.05 0.02 -0.03 -0.01 0.00 -0.05 -0.01 0.02 -0.07 -0.02 -0.00 -0.02 -0.00 -0.04 0.07 0.11 -0.00 -0.02 0.02 -0.09 -0.05 -0.01 -0.11 0.03 0.00 -0.10 -0.11 0.10 -0.01 0.09 -0.05 0.17 -0.00 -0.08 0.20 0.24 0.24 0.07 -0.05 -0.21 0.11 -0.12 0.04 -0.23 -0.02 0.09 0.02 -0.02 -0.08 0.04 -0.06 -0.09 0.09 -0.03 -0.08 0.06 0.01 0.04 0.05 -0.01 -0.07 0.07 -0.03 -0.10 -0.04 0.04 -0.02 0.07 -0.04 0.06 0.02 0.15 -0.11 0.01 0.01 0.01 -0.01 -0.08 -0.02 0.07 -0.04 -0.04 0.23 -0.03 -0.09 -0.01 0.09 -0.04 -0.03 -0.04 0.01 0.04 0.00 0.01 -0.02 -0.16 0.03 0.03 0.01 0.00 0.18 0.11 0.22 -0.12 0.04 0.32 -0.01 -0.04 0.03 -0.04 -0.11 0.03 -0.03 -0.03 -0.02 -0.02 -0.00 -0.01 0.03 -0.01 -0.01 0.02 0.00 -0.01 0.08 0.22 0.14 -0.01 0.04 0.02 -0.09 0.06 0.00 0.01 -0.09 -0.04 -0.09 0.10 0.01 -0.09 0.09 -0.05 -0.04 -0.04 0.10 0.06 -0.04 -0.05 -0.01 -0.01 -0.06 -0.05 -0.04 0.04 0.05 0.01 0.04 -0.02 0.03 0.00 -0.03 0.26 -0.09 -0.05 0.06 -0.16 -0.27 -0.04 0.02 -0.03 -0.06 0.04 0.02 -0.02 0.10 -0.02 -0.10 0.15 0.05 0.01 -0.08 -0.09 -0.05 -0.11 0.10 -0.08 0.11 0.30 -0.01 0.16 0.02 0.01 -0.01 -0.09 0.11 -0.08 -0.05 -0.07 0.12 -0.00 0.01 0.01 -0.04 -0.00 0.05 0.09 0.06 -0.11 0.05 0.13 -0.18 -0.07 0.03 0.01 -0.00 -0.01 -0.02 -0.02 -0.13 0.07 -0.00 -0.01 0.07 0.03 0.14 0.02 -0.03 0.12 -0.20 0.09 0.03 -0.04 0.01 -0.00 -0.04 0.05 0.21 -0.04 -0.02 -0.07 0.12 0.03 0.01 0.01 -0.04 0.01 0.01 0.01 -0.00 -0.01 0.03 0.08 0.05 -0.06 0.04 -0.02 0.15 -0.07 0.03 -0.13 0.33 0.17 0.10 -0.06 0.06 0.06 0.15 0.07 -0.06 -0.07 -0.07 -0.13 -0.02 -0.04 -0.01 0.02 -0.07 0.03 0.04 -0.11 -0.02 -0.02 0.03 0.02 -0.02 0.05 -0.10 0.05 -0.03 0.02 0.18 0.24 -0.12 -0.09 -0.10 0.05 0.06 -0.08 0.01 0.02 -0.04 0.03 -0.07 -0.04 -0.02 0.06 0.10 0.02 -0.00 0.03 0.08 -0.11 -0.03 0.40 0.05 0.12 -0.04 -0.07 0.05 0.15 -0.22 0.18 0.09 0.16 -0.15 0.01 0.02 -0.00 0.03 0.05 -0.01 -0.13 0.17 -0.22 0.06 0.10 0.06 0.03 -0.04 -0.06 -0.03 -0.06 -0.02 0.00 -0.18 0.10 -0.01 -0.15 0.11 0.07 0.16 0.02 0.02 -0.14 -0.15 -0.07 -0.06 -0.17 0.01 0.03 -0.00 0.00 -0.04 -0.01 0.02 0.06 -0.06 -0.01 -0.01 -0.00 -0.01 -0.01 -0.00 0.02 0.03 0.06 -0.07 -0.15 -0.07 0.00 0.01 0.01 0.02 -0.05 0.01 -0.02 -0.00 0.03 -0.02 0.03 0.04 -0.13 0.02 0.01 -0.05 -0.02 0.04 0.03 0.00 -0.02 -0.04 -0.03 -0.02 -0.01 0.06 -0.09 0.14 -0.11 0.03 -0.04 0.02 0.04 0.14 0.33 0.08 0.02 -0.16 -0.31 0.01 -0.14 0.03 0.05 0.03 -0.07 -0.10 -0.00 0.01 0.05 0.18 -0.18 -0.04 -0.02 -0.01 0.08 0.05 0.04 0.08 0.02 -0.07 -0.01 -0.09 -0.24 0.02 -0.01 0.00 -0.01 0.03 -0.01 0.00 -0.05 0.04 -0.00 0.00 0.00 0.00 0.05 0.02 0.16 -0.13 0.07 -0.01 -0.04 0.00 0.06 0.01 0.27 -0.00 0.05 -0.02 0.06 0.05 0.01 0.01 -0.05 0.03 0.07 0.14 -0.02 -0.05 0.17 -0.17 0.22 -0.08 -0.16 -0.02 -0.06 0.06 -0.05 -0.17 0.05 -0.03 -0.03 -0.04 -0.03 0.00 -0.01 0.08 -0.01 -0.01 0.02 0.02 0.04 -0.04 -0.12 -0.06 0.03 0.01 0.01 -0.08 -0.02 -0.02 0.05 -0.21 -0.07 -0.13 0.13 0.02 -0.09 -0.05 -0.08 0.01 0.05 0.02 -0.09 0.00 0.04 -0.01 0.02 0.10 0.02 0.06 -0.09 0.02 -0.05 0.00 0.03 -0.03 0.03 0.05 0.02 0.01 -0.05 -0.07 -0.22 0.05 0.19 0.07 -0.01 0.08 -0.09 0.07 0.05 -0.04 -0.13 -0.02 0.18 0.04 -0.08 -0.07 -0.02 -0.04 -0.03 0.06 -0.02 0.05 -0.01 -0.02 0.08 -0.07 -0.02 0.04 0.20 -0.24 0.21 0.10 0.22 -0.26 0.01 -0.00 -0.01 0.05 -0.01 -0.08 0.11 -0.04 0.02 0.01 -0.10 -0.06 -0.10 0.11 -0.26 -0.00 0.02 0.05 0.08 0.31 -0.15 0.00 -0.07 -0.13 -0.04 -0.30 -0.04 0.03 -0.05 0.01 -0.02 -0.08 -0.06 0.00 0.01 -0.03 0.02 0.13 -0.03 -0.02 -0.04 0.07 0.01 -0.00 0.01 -0.05 0.01 0.01 0.01 0.02 0.04 -0.06 -0.16 -0.09 -0.04 0.04 0.01 -0.01 0.05 0.02 -0.04 0.08 0.03 -0.00 0.01 -0.00 0.08 -0.01 -0.03 0.06 -0.01 0.16 -0.05 -0.09 -0.01 0.02 -0.05 -0.06 0.01 -0.00 -0.05 -0.02 0.00 0.00 0.00 -0.01 0.02 -0.15 -0.09 -0.20 -0.03 0.15 0.17 0.21 0.10 0.25 -0.01 0.02 -0.04 -0.08 0.02 0.10 0.03 0.10 -0.03 0.08 -0.02 -0.13 -0.01 0.03 0.00 -0.09 0.04 -0.01 -0.07 0.01 -0.07 -0.08 0.02 -0.00 0.16 -0.14 0.17 0.06 0.23 -0.25 0.01 0.02 0.01 0.04 -0.07 -0.08 -0.04 -0.02 0.02 0.22 0.16 -0.28 -0.05 0.13 0.26 0.02 0.02 -0.05 -0.07 -0.20 0.09 0.01 0.14 0.07 0.01 0.22 0.02 0.00 -0.08 -0.04 -0.01 0.01 -0.06 -0.00 -0.01 0.02 -0.01 -0.08 0.02 0.01 0.02 -0.04 -0.01 0.00 -0.00 0.03 -0.00 -0.00 0.01 0.01 0.03 -0.03 -0.04 -0.01 0.02 -0.02 -0.00 -0.04 0.01 -0.02 0.04 -0.08 -0.06 -0.01 -0.01 -0.03 -0.05 0.05 -0.08 -0.05 -0.01 0.05 0.01 -0.01 0.01 0.10 -0.01 0.03 0.05 -0.01 0.05 -0.07 0.04 -0.01 -0.04 -0.01 -0.01 -0.06 0.18 -0.16 -0.02 -0.01 -0.05 -0.07 0.04 0.05 0.06 -0.02 0.04 0.04 0.04 0.03 -0.13 0.12 0.20 -0.06 -0.03 -0.05 0.04 0.02 0.04 0.04 -0.07 -0.06 0.22 0.02 0.02 0.00 0.01 -0.01 -0.02 0.03 -0.03 -0.01 0.01 0.02 -0.00 -0.00 0.00 -0.01 -0.01 0.00 0.01 0.06 -0.22 -0.11 -0.03 -0.06 -0.04 -0.05 -0.16 0.05 -0.03 0.03 -0.12 -0.07 -0.03 0.01 0.28 -0.09 -0.15 -0.23 0.04 -0.04 -0.16 0.01 -0.05 0.07 0.09 -0.01 0.04 0.07 0.01 -0.33 0.07 0.04 0.17 -0.26 -0.02 -0.01 -0.01 0.17 -0.03 -0.01 -0.02 -0.02 -0.03 0.02 0.05 0.02 0.04 0.01 0.01 -0.08 -0.09 -0.02 0.04 -0.25 -0.05 -0.17 0.18 0.06 0.01 0.01 -0.02 0.04 -0.02 0.01 0.03 0.06 0.05 -0.09 0.00 0.02 0.03 0.12 0.10 0.10 -0.08 0.01 0.00 0.01 -0.02 -0.04 -0.13 0.01 -0.05 0.14 -0.01 0.05 0.05 0.03 0.01 0.10 0.08 -0.04 0.00 0.01 0.03 -0.00 -0.06 0.07 -0.05 -0.04 -0.00 -0.04 0.03 -0.10 -0.11 -0.03 0.18 0.14 0.31 0.01 -0.00 0.01 -0.00 -0.03 -0.01 0.01 -0.01 0.02 0.00 -0.02 -0.02 -0.03 0.00 0.04 -0.27 0.23 -0.37 -0.01 -0.10 0.00 -0.05 0.15 0.12 -0.05 0.03 0.00 0.16 0.18 -0.02 -0.00 -0.31 0.05 0.14 0.12 -0.05 0.01 0.14 0.09 0.13 -0.07 -0.03 0.02 0.08 0.01 0.02 -0.15 0.00 0.08 0.17 -0.18 -0.01 -0.01 -0.01 0.02 -0.02 -0.01 -0.03 -0.05 -0.08 0.01 0.03 -0.03 -0.00 0.02 0.01 -0.06 0.02 0.00 0.01 -0.07 -0.02 -0.06 0.06 0.01 0.02 0.01 0.01 -0.06 -0.02 -0.04 -0.03 0.04 0.04 0.04 -0.02 -0.02 0.09 0.11 0.15 -0.02 -0.02 0.00 -0.02 -0.02 -0.02 -0.02 0.03 -0.03 0.03 -0.04 0.10 -0.15 -0.05 -0.08 0.08 0.10 0.12 -0.04 0.01 0.02 -0.00 0.08 -0.03 -0.00 0.01 -0.01 0.13 0.00 -0.08 0.04 0.02 0.04 0.00 -0.04 -0.06 -0.06 -0.02 0.02 0.14 -0.18 0.15 0.06 0.16 -0.19 0.01 -0.00 -0.00 0.00 -0.06 -0.02 -0.05 -0.02 0.23 -0.09 -0.02 0.02 0.00 0.02 0.10 0.02 -0.00 -0.02 -0.06 -0.14 0.05 0.01 0.11 0.03 -0.02 0.08 0.02 -0.01 -0.13 0.06 -0.00 -0.01 0.04 0.01 -0.14 -0.03 -0.07 0.29 -0.03 -0.14 -0.34 0.36 -0.01 0.01 0.00 -0.16 0.04 0.00 -0.04 -0.06 -0.10 0.03 0.07 -0.01 -0.01 0.10 0.01 -0.03 -0.06 -0.00 -0.04 -0.04 0.03 -0.17 0.23 0.10 0.07 0.00 -0.05 -0.05 0.01 0.03 0.04 0.03 0.05 0.00 0.01 0.04 -0.07 -0.12 -0.12 -0.02 0.03 -0.02 0.02 0.00 -0.01 -0.14 -0.14 -0.16 -0.04 0.12 0.19 -0.08 0.15 0.06 -0.07 -0.10 -0.10 -0.07 0.01 -0.02 0.04 0.11 -0.15 0.04 -0.04 0.01 0.12 -0.02 -0.06 -0.04 -0.07 -0.00 0.16 0.07 0.16 0.05 0.06 0.00 -0.10 0.13 -0.12 -0.05 -0.11 0.16 -0.02 -0.03 -0.03 -0.00 0.02 -0.02 -0.20 0.14 -0.14 -0.08 -0.15 0.10 0.02 0.07 0.18 0.00 -0.00 0.03 0.00 0.10 -0.06 -0.00 0.02 -0.06 -0.05 -0.16 -0.00 0.02 0.10 0.13 -0.04 0.01 -0.07 0.02 -0.08 -0.02 -0.05 0.14 -0.02 -0.08 -0.19 0.19 -0.02 0.00 -0.00 -0.12 0.03 -0.00 0.03 0.05 0.08 -0.02 -0.04 0.02 0.00 0.11 0.01 -0.06 -0.08 -0.01 -0.04 -0.11 0.02 -0.23 0.30 0.12 -0.01 0.03 -0.01 0.01 -0.03 0.03 0.02 -0.03 -0.01 0.02 0.01 -0.03 0.01 -0.01 0.00 -0.00 0.00 -0.00 -0.02 0.01 0.01 -0.00 0.10 -0.03 0.01 0.00 -0.02 0.11 -0.07 0.05 0.02 -0.01 0.00 0.00 0.07 0.01 -0.09 0.06 0.10 -0.03 -0.05 0.00 0.03 -0.08 0.09 -0.01 -0.01 -0.07 -0.00 -0.00 -0.05 0.02 0.01 -0.03 -0.05 0.08 -0.07 -0.03 -0.05 0.05 -0.00 0.01 0.02 0.00 0.01 0.01 -0.02 -0.02 -0.05 -0.08 -0.02 -0.01 -0.06 0.06 -0.10 -0.00 -0.02 -0.01 -0.02 -0.09 0.03 -0.00 -0.00 0.03 0.00 0.04 0.01 -0.03 -0.01 -0.07 0.03 0.02 0.04 0.02 0.04 -0.10 -0.06 0.34 -0.10 -0.01 -0.08 0.21 0.03 -0.01 0.01 -0.28 0.03 0.02 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.02 0.01 0.11 -0.27 0.55 0.06 0.16 -0.14 -0.22 0.06 -0.12 -0.25 -0.00 0.06 -0.04 -0.04 -0.00 0.01 0.01 -0.07 -0.03 0.02 -0.01 0.07 0.03 -0.00 0.03 0.01 -0.00 0.03 -0.04 0.00 -0.06 -0.09 0.09 -0.13 -0.03 0.08 0.05 -0.07 0.04 0.02 0.07 0.02 0.07 -0.09 -0.03 -0.06 0.11 0.09 -0.29 0.06 0.02 0.07 -0.04 0.01 0.03 0.03 -0.01 -0.04 0.09 -0.03 -0.10 -0.04 -0.01 -0.04 0.04 -0.01 0.03 0.00 0.07 -0.09 0.01 0.03 0.03 0.01 -0.05 -0.03 0.06 -0.02 -0.07 0.26 0.01 0.07 0.10 -0.02 0.25 0.03 0.02 0.06 -0.02 0.21 -0.12 0.01 0.14 -0.14 -0.11 -0.32 0.00 -0.02 0.05 0.38 0.05 0.00 -0.26 0.02 0.01 -0.02 0.00 0.07 -0.02 0.02 -0.01 0.05 -0.01 0.00 -0.00 -0.05 -0.00 0.00 -0.01 -0.01 -0.02 0.03 0.09 0.06 -0.03 -0.04 -0.00 0.06 0.10 0.02 -0.01 0.17 0.02 0.17 -0.21 -0.07 -0.05 -0.09 0.06 -0.02 0.11 -0.04 -0.04 0.13 0.00 0.02 -0.08 -0.01 -0.02 -0.01 -0.01 -0.03 0.02 -0.02 0.04 -0.02 0.02 0.12 0.04 0.13 0.03 -0.19 -0.12 -0.06 0.05 -0.07 -0.01 -0.03 -0.01 -0.08 -0.04 0.01 0.09 0.03 -0.18 0.05 0.05 -0.03 -0.00 -0.05 0.04 0.05 -0.06 -0.02 0.02 0.05 0.21 0.01 -0.00 0.11 0.01 -0.09 0.08 0.03 -0.01 0.05 -0.01 -0.05 -0.07 -0.04 0.03 0.03 0.10 0.03 -0.24 0.10 0.04 -0.02 0.01 0.11 0.29 0.09 0.03 -0.04 -0.20 -0.24 0.05 0.03 0.50 -0.04 -0.15 0.04 0.06 0.03 -0.07 -0.10 -0.06 0.00 0.09 0.05 0.05 -0.02 0.02 0.03 -0.02 0.04 0.06 -0.03 -0.03 -0.00 -0.01 -0.05 -0.01 -0.01 0.00 0.00 0.00 -0.01 0.01 0.01 -0.03 -0.00 0.02 -0.01 0.17 0.04 0.01 0.11 -0.01 0.11 -0.13 -0.07 0.00 0.03 -0.01 0.01 -0.01 -0.01 0.01 -0.04 -0.00 0.00 -0.01 0.03 0.01 -0.00 0.01 0.01 -0.01 -0.12 -0.02 0.02 0.10 -0.01 0.03 -0.02 -0.01 0.06 -0.02 0.05 0.01 0.01 0.04 -0.04 0.00 -0.04 -0.01 -0.03 0.04 0.04 -0.12 0.02 0.01 0.03 0.00 0.01 -0.00 -0.02 -0.01 -0.00 0.01 0.02 0.04 -0.02 -0.00 -0.03 0.02 -0.00 0.01 -0.00 0.03 -0.06 0.00 0.02 0.02 0.02 -0.03 -0.03 -0.07 0.03 -0.02 0.08 -0.01 0.04 0.04 -0.02 0.09 0.01 0.01 0.04 0.01 0.14 -0.07 0.00 0.02 -0.07 -0.03 -0.16 -0.01 -0.05 -0.07 -0.62 0.10 0.09 0.65 0.02 -0.01 0.00 0.00 0.02 -0.00 0.01 -0.02 0.03 -0.01 0.00 -0.00 -0.02 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.01 0.01 -0.01 -0.00 -0.01 0.04 -0.04 -0.00 -0.03 0.06 0.03 0.03 -0.03 0.02 -0.10 0.03 0.05 0.12 -0.01 -0.05 0.02 -0.08 0.01 0.02 -0.02 -0.01 0.02 -0.03 -0.02 0.01 0.00 0.04 -0.04 0.01 -0.02 0.16 0.16 0.21 0.01 -0.06 -0.29 0.41 -0.04 0.05 0.03 -0.04 -0.03 0.00 0.01 -0.03 -0.03 0.04 -0.00 -0.03 0.04 0.04 0.05 -0.04 -0.02 -0.09 -0.04 0.04 -0.19 0.12 0.40 -0.04 -0.02 -0.07 0.03 -0.00 0.00 -0.01 0.02 -0.11 0.01 0.04 0.05 0.04 -0.06 -0.06 -0.22 0.12 -0.06 -0.06 0.06 0.02 0.03 -0.06 -0.06 0.04 -0.01 -0.02 -0.11 -0.15 0.03 0.01 0.23 -0.01 -0.08 0.00 0.04 -0.03 0.02 0.12 0.05 0.02 -0.18 0.06 0.00 0.00 0.02 0.03 -0.00 0.02 -0.02 0.02 -0.04 0.00 -0.01 -0.06 0.01 -0.02 0.00 0.01 0.01 -0.00 -0.02 -0.00 -0.01 0.05 -0.02 0.06 -0.15 -0.01 -0.08 0.05 0.09 -0.06 0.11 0.11 0.02 0.01 -0.03 -0.00 -0.03 0.04 -0.03 0.02 -0.01 0.00 0.02 0.01 -0.02 0.03 -0.01 -0.02 -0.00 0.00 0.03 -0.01 0.00 -0.07 -0.03 -0.08 -0.02 0.07 0.04 -0.03 -0.01 0.04 -0.07 0.04 -0.02 0.04 -0.07 0.03 -0.05 -0.06 0.12 -0.06 0.05 -0.07 0.04 0.01 -0.02 0.01 0.02 0.01 0.02 -0.03 -0.09 0.03 -0.02 0.01 -0.06 0.01 -0.06 -0.01 -0.04 0.09 -0.00 -0.00 -0.00 -0.02 0.06 0.07 -0.02 -0.03 0.12 -0.14 0.09 -0.10 0.07 -0.24 -0.10 -0.03 0.00 0.02 0.07 0.13 -0.03 -0.01 -0.18 -0.00 0.05 -0.04 -0.03 0.03 -0.04 0.02 -0.08 -0.04 -0.01 0.37 -0.04 0.12 0.37 0.06 0.10 0.12 -0.10 0.07 -0.28 0.04 -0.09 0.14 -0.01 -0.11 0.00 0.00 0.00 -0.02 -0.05 -0.04 -0.04 -0.02 0.04 -0.03 0.29 0.05 0.06 0.11 -0.07 0.20 -0.23 -0.16 0.02 -0.05 0.04 -0.07 0.04 -0.04 0.09 -0.05 0.06 0.02 0.03 -0.03 0.05 -0.09 -0.01 0.03 0.02 -0.01 -0.07 0.04 -0.01 0.03 -0.04 0.04 0.07 -0.19 0.15 -0.19 0.05 -0.08 0.14 -0.14 0.01 -0.04 0.13 -0.01 -0.10 0.16 0.05 0.06 -0.12 0.06 -0.01 -0.04 -0.02 0.05 0.02 -0.01 -0.09 -0.00 0.02 -0.08 0.06 -0.00 0.12 -0.03 0.14 0.02 0.09 -0.23 0.00 0.00 -0.00 0.06 -0.17 -0.19 0.20 -0.06 -0.08 -0.08 -0.22 0.16 -0.07 0.17 -0.05 -0.04 -0.03 -0.05 0.03 -0.16 0.09 -0.02 -0.16 0.12 0.09 0.23 -0.01 -0.08 0.10 -0.00 0.16 0.11 0.01 0.06 0.04 0.04 0.14 -0.11 0.04 0.01 0.08 -0.13 -0.06 0.00 -0.02 0.19 -0.03 -0.02 -0.01 -0.00 0.01 0.05 0.09 0.08 -0.04 0.01 -0.01 0.05 0.02 0.02 -0.06 0.16 0.06 0.07 -0.07 0.00 0.04 -0.13 0.03 -0.06 0.16 0.08 -0.04 -0.02 -0.11 -0.02 -0.03 -0.01 0.03 -0.04 0.02 0.01 0.02 -0.00 -0.01 0.02 -0.01 -0.00 -0.09 -0.03 0.02 -0.12 0.11 -0.15 0.25 0.07 0.13 -0.03 0.07 0.02 -0.05 0.00 0.06 -0.14 -0.02 -0.06 0.07 0.01 0.04 -0.06 0.01 0.04 -0.03 -0.02 -0.09 0.07 0.22 -0.02 -0.12 -0.10 0.00 -0.06 -0.05 -0.01 -0.07 -0.07 0.01 0.07 0.09 0.03 -0.01 0.00 0.30 -0.02 -0.36 -0.01 0.23 -0.13 0.06 -0.15 -0.03 -0.05 0.04 0.01 0.13 0.20 -0.04 -0.02 -0.23 0.01 0.11 0.06 -0.06 -0.01 0.00 -0.01 0.10 0.08 0.01 0.01 0.01 -0.02 -0.00 0.05 -0.02 -0.00 -0.00 0.02 -0.00 -0.00 0.00 -0.04 0.00 0.00 0.00 -0.00 -0.00 0.06 0.09 0.07 0.03 0.05 0.02 -0.09 -0.04 -0.01 0.02 -0.18 -0.02 -0.16 0.21 0.06 -0.02 0.01 -0.00 0.05 -0.01 0.02 0.04 0.02 -0.05 -0.01 -0.02 -0.01 0.09 -0.14 -0.00 0.03 0.05 0.01 -0.07 0.05 -0.03 0.02 0.03 0.02 -0.03 0.06 -0.11 0.03 -0.09 -0.01 0.28 -0.22 0.05 0.03 -0.06 0.01 0.02 -0.07 0.02 -0.07 0.09 -0.02 -0.00 0.03 0.01 -0.04 -0.02 -0.00 0.07 0.00 -0.01 -0.07 0.09 0.19 0.16 -0.03 0.34 0.07 0.16 -0.14 -0.00 -0.06 -0.11 -0.01 -0.11 -0.12 -0.13 0.04 0.02 -0.05 0.18 -0.09 0.09 -0.25 -0.07 -0.04 0.03 0.03 0.11 0.21 -0.05 -0.02 -0.20 -0.02 0.08 -0.04 -0.04 -0.08 0.09 0.01 0.27 0.20 -0.03 -0.01 -0.02 -0.01 -0.06 0.06 -0.01 0.01 -0.04 0.07 0.01 0.00 0.00 -0.10 0.02 0.01 -0.01 -0.00 0.01 0.08 0.14 0.12 0.03 -0.01 0.02 -0.07 0.05 -0.00 0.07 -0.12 -0.07 -0.04 0.02 -0.04 0.00 0.03 -0.03 0.02 -0.06 -0.02 0.07 0.22 0.05 -0.04 -0.03 0.03 -0.02 -0.09 -0.03 0.01 0.03 -0.00 0.02 0.01 -0.01 -0.03 -0.09 0.00 -0.06 0.17 -0.09 -0.18 -0.18 -0.13 0.09 -0.20 -0.04 0.01 -0.04 0.03 0.03 -0.08 0.02 0.01 0.03 -0.06 -0.02 0.03 -0.02 -0.01 0.00 0.01 0.13 -0.04 -0.15 -0.08 -0.16 -0.09 0.13 -0.23 0.11 0.02 -0.18 -0.34 0.02 0.07 0.10 0.12 -0.16 -0.19 -0.14 0.06 0.08 -0.27 -0.18 0.13 -0.07 0.14 0.08 0.03 0.01 -0.00 -0.04 -0.02 -0.00 0.01 0.13 -0.02 -0.04 -0.00 0.02 0.01 0.18 0.00 0.02 0.04 0.00 -0.02 -0.00 0.01 0.01 -0.04 0.01 -0.01 0.02 -0.04 0.01 -0.00 0.00 0.06 -0.00 0.00 -0.01 0.01 0.02 0.03 0.01 0.03 0.01 -0.03 0.04 -0.09 0.15 0.02 0.08 -0.07 -0.09 0.03 -0.07 -0.11 -0.02 0.01 0.02 -0.07 0.04 -0.10 0.01 -0.09 0.22 0.02 -0.06 0.08 0.06 -0.01 -0.01 -0.01 0.01 -0.01 -0.03 0.01 -0.00 0.07 -0.08 0.15 0.04 -0.14 0.06 0.01 0.40 0.03 -0.19 -0.04 -0.16 0.03 -0.08 -0.01 -0.02 0.08 0.01 -0.01 0.10 -0.12 -0.00 0.07 0.02 0.05 -0.06 -0.00 0.24 -0.03 -0.03 0.01 0.06 -0.08 -0.07 0.02 -0.17 -0.05 -0.01 0.03 -0.01 0.00 0.03 0.02 -0.07 -0.06 -0.18 0.09 0.07 0.09 0.12 -0.15 0.04 -0.07 0.00 -0.04 0.04 -0.05 0.09 -0.03 0.07 -0.01 -0.12 0.11 0.11 0.27 -0.03 -0.02 -0.16 0.07 0.18 0.13 -0.01 -0.03 -0.02 -0.00 -0.12 -0.00 -0.01 0.02 -0.01 0.04 0.02 -0.00 0.00 -0.13 0.02 0.01 -0.01 0.01 0.01 -0.10 -0.16 -0.12 -0.00 -0.05 0.02 -0.01 0.12 0.02 0.06 0.02 -0.06 0.10 -0.14 -0.09 -0.00 -0.01 0.01 -0.00 -0.00 -0.01 0.13 -0.05 0.07 0.01 0.16 -0.05 -0.05 0.06 -0.00 0.01 -0.04 0.01 -0.00 -0.02 0.01 0.05 -0.02 0.07 0.05 -0.15 0.11 -0.18 -0.02 -0.08 -0.15 0.05 -0.06 -0.02 -0.05 -0.00 0.12 -0.09 -0.14 0.01 0.06 -0.03 -0.01 -0.03 -0.06 -0.01 -0.00 0.02 -0.09 0.02 0.10 -0.05 0.03 0.01 0.10 0.03 0.14 0.02 -0.02 -0.18 0.01 -0.00 -0.01 0.03 -0.13 -0.12 0.15 -0.03 -0.16 -0.04 0.25 -0.18 0.15 -0.30 0.04 0.01 -0.07 0.04 -0.08 -0.07 -0.02 -0.01 0.02 -0.05 -0.10 -0.21 0.03 -0.01 0.16 -0.04 -0.27 -0.21 0.03 -0.03 0.02 -0.00 0.11 -0.01 0.00 -0.07 0.02 -0.08 0.01 -0.01 0.01 0.15 -0.01 0.00 0.00 0.00 0.00 -0.05 -0.11 -0.08 0.02 0.01 0.05 -0.16 0.16 0.01 0.09 -0.15 -0.11 -0.07 0.05 -0.09 -0.03 -0.05 -0.02 0.01 0.05 0.05 0.02 0.05 -0.04 0.03 0.16 0.02 -0.00 0.00 -0.01 0.02 -0.02 -0.00 -0.02 -0.00 0.00 0.10 -0.14 0.15 -0.01 -0.10 -0.04 0.02 0.22 0.09 0.15 -0.02 0.06 0.00 -0.01 0.00 -0.08 0.20 0.05 -0.00 -0.04 -0.01 -0.04 0.10 0.08 -0.01 -0.04 -0.03 0.23 -0.01 -0.09 -0.01 -0.04 -0.00 0.02 -0.04 0.02 0.01 -0.03 -0.04 0.00 0.01 0.01 0.01 -0.01 -0.00 -0.13 0.07 -0.06 0.25 -0.12 0.03 0.09 -0.21 -0.05 -0.01 -0.07 -0.03 -0.07 -0.24 0.09 -0.01 -0.04 0.09 -0.04 0.05 0.03 -0.03 0.16 -0.03 -0.16 -0.12 0.04 0.04 -0.05 -0.00 -0.25 0.05 -0.01 0.18 -0.05 0.19 0.00 0.01 -0.01 -0.38 0.04 0.00 -0.00 -0.01 -0.00 0.04 0.08 0.06 0.01 -0.03 -0.05 0.12 -0.16 -0.02 -0.04 0.03 0.05 0.05 -0.05 0.06 0.00 -0.00 -0.02 -0.03 -0.04 0.00 0.00 0.09 0.03 0.07 0.05 -0.03 -0.00 -0.01 -0.01 -0.02 0.02 -0.00 -0.00 -0.01 -0.00 -0.06 0.25 -0.21 0.08 -0.21 0.18 0.31 -0.19 0.10 0.01 -0.05 -0.02 -0.03 -0.04 0.04 -0.00 0.15 -0.02 -0.00 0.01 -0.07 0.13 -0.06 0.06 0.02 0.02 -0.03 -0.22 0.05 0.15 -0.00 -0.02 -0.00 0.01 -0.05 0.01 0.00 -0.07 -0.03 0.00 0.00 0.01 0.01 -0.01 -0.01 -0.03 -0.02 0.10 -0.02 0.03 -0.08 0.07 -0.18 0.06 -0.06 -0.01 0.03 0.10 0.13 -0.02 -0.03 -0.25 0.01 0.08 -0.05 -0.04 -0.00 -0.05 0.01 -0.06 -0.00 -0.00 -0.04 0.05 -0.00 -0.11 -0.11 -0.01 -0.06 0.06 -0.08 0.02 -0.02 0.01 -0.08 -0.01 0.01 -0.00 0.00 0.00 -0.01 -0.01 -0.00 -0.08 0.01 -0.04 0.19 -0.03 0.03 -0.14 0.37 0.14 0.16 -0.14 0.08 -0.01 -0.01 -0.01 -0.00 0.01 0.02 -0.09 0.01 -0.04 -0.01 0.09 0.03 0.06 -0.03 -0.00 0.03 -0.01 -0.01 -0.04 0.01 -0.00 0.06 -0.12 0.12 -0.01 -0.00 -0.03 0.18 0.27 0.17 0.24 -0.07 0.07 -0.01 -0.02 -0.01 0.04 0.01 -0.07 0.02 0.01 0.00 0.07 -0.02 -0.08 -0.00 -0.01 0.03 0.13 -0.03 -0.08 0.03 -0.02 -0.01 -0.08 -0.08 -0.12 -0.01 0.11 0.15 -0.01 -0.00 0.00 -0.03 0.13 0.12 -0.19 0.04 0.19 -0.05 -0.01 0.02 0.04 -0.06 0.03 0.01 -0.04 -0.02 -0.05 -0.15 0.05 -0.00 0.04 0.05 -0.04 0.02 0.03 -0.05 0.07 -0.01 0.05 0.01 0.02 -0.07 0.02 -0.00 0.28 -0.01 0.01 -0.28 -0.03 -0.15 0.00 -0.01 0.01 0.43 -0.03 0.00 -0.01 -0.00 -0.00 0.05 0.10 0.07 -0.03 -0.00 0.04 -0.05 0.20 0.04 0.04 0.07 -0.06 0.05 -0.09 -0.10 -0.00 0.00 -0.05 -0.00 0.01 0.06 0.10 -0.06 -0.08 -0.00 -0.08 0.15 -0.09 0.05 -0.01 -0.03 -0.01 -0.01 0.06 -0.01 0.02 -0.01 -0.12 0.02 -0.08 0.18 -0.11 -0.18 0.14 0.03 -0.14 0.25 0.09 0.04 -0.02 -0.04 -0.12 0.24 0.09 -0.05 0.05 0.03 0.13 -0.00 0.00 -0.03 -0.01 -0.03 0.01 0.01 -0.01 -0.04 0.00 0.04 0.10 0.19 0.23 0.03 -0.10 -0.17 0.01 0.01 -0.02 0.03 -0.12 -0.12 -0.02 0.01 -0.07 -0.08 -0.09 0.15 0.06 -0.13 -0.12 0.00 0.03 -0.07 0.03 -0.15 0.10 0.01 0.04 0.14 0.06 0.32 0.00 0.06 0.04 -0.00 -0.15 -0.09 0.03 -0.04 0.02 -0.01 0.03 -0.04 -0.00 -0.18 -0.02 -0.06 0.01 -0.01 0.01 0.12 -0.02 0.01 0.01 -0.02 -0.01 0.06 0.10 0.07 -0.05 -0.01 0.00 0.08 0.09 0.04 -0.03 0.20 0.02 0.11 -0.13 -0.02 -0.05 0.02 -0.05 0.05 -0.04 -0.02 -0.03 0.06 -0.01 0.13 0.00 0.10 -0.03 -0.00 -0.01 -0.04 0.03 -0.02 0.01 -0.02 0.01 -0.02 0.23 -0.14 0.04 -0.20 0.05 0.12 -0.12 -0.02 -0.02 0.05 0.02 -0.05 -0.02 -0.02 -0.07 0.30 -0.03 0.07 0.02 0.04 -0.11 0.01 -0.05 -0.01 -0.00 0.04 -0.12 0.02 0.14 0.01 -0.02 0.00 -0.01 -0.03 -0.01 0.00 -0.03 0.01 0.00 0.00 0.00 -0.01 0.02 0.03 0.16 -0.03 -0.14 0.21 -0.09 0.12 0.09 -0.14 0.09 -0.07 0.00 -0.05 0.13 -0.05 0.10 -0.03 -0.24 0.15 0.13 0.24 -0.04 0.02 -0.23 0.06 -0.02 0.05 0.01 -0.00 -0.02 -0.02 0.18 0.13 -0.01 0.00 -0.03 0.02 -0.01 0.01 0.00 0.18 -0.01 -0.00 -0.00 -0.01 0.00 0.02 0.08 0.06 0.06 0.01 0.03 -0.15 0.02 -0.02 0.08 -0.25 -0.08 -0.13 0.13 -0.05 0.02 0.05 -0.08 -0.05 -0.10 0.02 -0.04 -0.02 0.01 -0.05 0.07 0.15 0.06 -0.02 0.03 0.03 -0.01 -0.02 -0.03 0.02 -0.02 -0.03 -0.18 0.00 -0.03 0.10 0.05 0.05 -0.05 0.08 0.08 -0.21 -0.08 0.03 -0.06 -0.05 0.08 -0.20 -0.08 -0.00 0.07 -0.05 -0.02 -0.09 0.06 0.03 0.07 -0.01 -0.31 0.03 0.09 0.00 0.01 0.01 -0.01 -0.01 -0.01 -0.00 0.09 0.06 -0.00 -0.01 -0.01 -0.02 0.07 0.06 0.36 -0.16 -0.09 -0.18 -0.06 0.07 -0.04 0.15 0.06 0.03 -0.03 -0.06 -0.07 -0.27 0.10 0.01 0.13 0.13 -0.06 0.17 0.05 -0.04 0.15 0.02 0.05 0.00 0.08 0.04 0.03 -0.00 -0.13 -0.03 -0.01 0.14 0.07 0.02 -0.00 0.00 -0.00 -0.20 0.01 -0.00 -0.00 0.02 0.00 -0.07 -0.15 -0.12 0.01 0.04 -0.03 0.01 -0.12 -0.03 -0.06 -0.04 0.07 -0.07 0.12 0.10 0.00 0.00 0.01 -0.04 0.00 -0.03 0.02 -0.03 -0.03 -0.00 -0.00 0.00 -0.02 0.01 -0.04 -0.00 -0.01 -0.00 0.01 0.01 0.02 -0.04 0.16 -0.11 0.08 -0.20 0.18 0.37 0.20 0.18 0.09 0.25 0.16 0.01 -0.02 0.00 0.09 -0.22 -0.05 0.01 0.03 -0.02 -0.05 0.01 -0.03 0.04 -0.01 0.02 0.03 -0.01 0.03 -0.00 -0.00 0.02 0.03 0.15 0.09 0.01 -0.10 -0.05 0.00 0.01 -0.01 0.02 -0.08 -0.09 -0.10 0.04 0.14 -0.32 -0.12 0.12 -0.10 0.21 0.06 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 -0.00 -0.01 -0.01 0.00 0.00 0.08 -0.03 -0.11 -0.08 -0.01 0.01 -0.00 0.03 -0.11 -0.08 0.02 0.12 0.05 -0.00 0.00 0.01 -0.01 -0.16 0.02 -0.00 -0.00 -0.02 -0.01 0.15 0.24 0.19 0.02 -0.00 0.02 -0.06 0.02 -0.00 0.03 -0.06 -0.03 -0.02 0.01 -0.04 0.02 0.02 -0.01 -0.01 -0.03 -0.00 -0.03 0.02 0.10 -0.03 0.01 -0.01 0.01 -0.01 -0.10 0.01 -0.01 0.00 -0.01 0.01 0.03 0.02 -0.19 0.11 -0.05 0.17 -0.10 -0.10 -0.13 -0.06 0.08 0.40 0.19 0.00 -0.01 -0.00 -0.04 0.12 0.02 -0.01 0.00 -0.02 -0.01 -0.04 0.02 0.01 0.03 -0.01 -0.12 0.01 0.02 0.03 0.02 -0.01 -0.03 -0.08 -0.10 -0.01 -0.06 0.04 -0.01 0.00 0.01 0.00 -0.07 -0.04 0.10 -0.04 -0.02 0.18 0.15 -0.15 0.03 -0.13 -0.08 0.02 -0.00 0.01 -0.04 -0.02 -0.01 0.01 0.06 -0.02 -0.03 -0.03 0.01 -0.01 -0.07 -0.03 0.09 0.03 -0.07 0.01 0.01 -0.01 0.02 0.02 -0.01 -0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.02 -0.05 -0.01 0.23 0.49 0.38 0.00 0.01 -0.01 0.01 -0.04 -0.01 -0.02 -0.01 0.03 -0.02 0.04 0.04 0.01 0.00 -0.00 -0.05 -0.01 -0.02 -0.00 0.03 0.01 -0.04 -0.01 0.01 0.02 0.01 0.02 0.00 -0.01 -0.00 0.00 0.01 -0.01 -0.03 0.02 -0.04 0.02 -0.03 0.07 0.26 0.06 0.12 -0.00 -0.05 -0.03 0.01 0.01 0.00 0.00 -0.06 0.02 -0.04 -0.02 -0.01 -0.04 -0.01 0.10 0.02 -0.01 -0.01 0.05 -0.03 -0.07 0.01 0.00 0.02 0.05 0.27 0.14 -0.02 -0.35 -0.11 0.00 0.01 -0.01 0.04 -0.19 -0.18 -0.09 0.04 0.05 0.27 0.07 -0.10 -0.02 0.05 -0.02 0.01 0.00 -0.00 -0.02 -0.01 -0.01 0.01 0.05 -0.01 -0.03 -0.00 0.01 -0.00 0.12 -0.01 -0.03 -0.03 0.02 0.00 -0.01 -0.06 0.33 0.26 -0.04 -0.15 -0.11 0.04 -0.02 -0.00 0.01 0.39 -0.03 0.00 0.00 0.00 -0.00 -0.04 -0.08 -0.06 0.02 0.02 -0.04 0.04 -0.15 -0.03 -0.05 -0.07 0.07 -0.03 0.07 0.10 0.02 -0.00 0.00 -0.01 0.01 -0.02 0.02 -0.01 0.04 -0.02 -0.07 0.02 0.03 -0.01 -0.01 -0.03 -0.01 0.00 0.02 0.03 -0.00 -0.07 0.14 -0.16 0.02 -0.04 0.07 0.06 -0.13 -0.03 0.19 -0.06 0.04 0.02 0.00 -0.00 -0.06 0.09 0.07 -0.02 0.00 0.00 -0.01 0.04 0.00 0.01 -0.02 -0.00 -0.08 0.03 0.13 -0.01 0.01 -0.01 -0.04 -0.24 -0.13 0.01 0.28 0.09 -0.01 -0.01 0.00 -0.03 0.13 0.12 0.02 -0.01 -0.03 0.12 0.02 -0.02 0.00 -0.02 -0.06 0.01 0.02 -0.01 0.01 0.03 -0.01 0.01 0.02 -0.00 0.01 0.05 0.00 -0.01 0.61 -0.08 -0.38 -0.24 0.05 -0.00 -0.01 -0.01 0.04 0.05 -0.01 -0.03 -0.04 0.02 -0.00 0.00 0.00 0.08 -0.01 0.00 -0.01 -0.00 -0.00 0.01 0.04 0.02 0.00 -0.01 0.00 0.00 0.01 0.00 0.02 -0.01 -0.02 0.01 -0.02 -0.01 0.01 0.01 -0.01 0.00 -0.01 0.00 -0.02 -0.03 -0.00 -0.03 0.05 -0.04 0.01 -0.00 -0.01 0.02 -0.00 0.00 -0.01 -0.00 0.01 0.00 -0.01 -0.00 0.03 -0.07 0.09 0.02 -0.13 -0.02 -0.06 0.08 0.00 0.03 -0.03 0.03 0.01 -0.06 0.06 -0.03 0.03 -0.05 0.05 0.17 0.03 -0.02 -0.03 0.01 -0.20 0.08 0.32 0.00 0.00 0.00 -0.02 0.02 -0.01 0.01 0.04 0.01 -0.00 -0.00 -0.00 0.00 0.02 0.01 0.31 -0.05 -0.40 -0.07 -0.33 0.24 -0.12 0.23 0.04 0.01 -0.01 0.02 -0.03 0.00 -0.02 0.00 0.02 -0.03 -0.04 -0.08 0.01 -0.01 -0.17 0.01 0.16 0.08 -0.03 -0.02 -0.05 -0.04 0.01 0.14 -0.04 -0.11 -0.13 0.08 -0.01 0.00 0.02 0.27 -0.03 0.01 -0.00 -0.00 0.00 0.03 0.05 0.04 -0.01 -0.04 -0.00 0.08 0.04 0.02 0.03 0.04 -0.05 0.10 -0.14 -0.04 -0.03 0.02 0.01 0.03 -0.02 -0.02 0.06 -0.02 -0.01 0.05 -0.02 -0.04 -0.03 -0.00 -0.02 -0.01 0.01 0.00 0.01 -0.00 0.01 0.07 -0.07 0.15 0.03 -0.09 -0.00 -0.04 0.25 0.02 -0.03 0.06 0.02 -0.01 -0.02 0.01 -0.00 0.05 -0.01 0.03 0.06 -0.04 -0.02 -0.06 0.13 -0.06 0.03 0.01 0.30 -0.08 -0.36 -0.02 -0.00 -0.01 0.00 -0.23 -0.06 0.02 0.32 0.06 -0.00 -0.01 0.00 -0.03 0.16 0.14 0.12 -0.06 -0.09 -0.38 -0.12 0.13 -0.03 0.05 0.06 -0.02 0.01 0.02 0.04 0.07 -0.01 -0.01 -0.07 -0.03 0.04 -0.04 -0.03 0.00 -0.02 -0.01 -0.07 -0.02 -0.02 0.01 0.01 -0.05 0.13 0.15 -0.04 -0.05 -0.04 0.04 -0.01 -0.00 0.01 0.19 -0.02 0.00 -0.00 -0.00 0.00 0.04 0.06 0.05 0.01 0.02 -0.05 0.05 -0.14 -0.03 -0.08 -0.02 0.10 -0.02 0.07 0.13 0.02 0.02 0.02 -0.09 -0.03 -0.02 -0.02 -0.00 -0.02 -0.01 -0.04 -0.08 0.01 0.01 0.03 -0.01 0.00 0.01 0.01 0.00 -0.01 0.05 -0.30 0.22 -0.05 0.24 -0.16 0.27 0.11 0.16 0.04 -0.10 -0.02 -0.01 -0.01 0.03 -0.19 0.49 0.15 0.07 0.04 -0.01 -0.03 -0.00 -0.03 0.03 0.01 0.02 -0.11 0.01 0.10 0.00 -0.00 0.01 0.01 0.13 0.06 -0.01 -0.09 -0.02 0.00 0.00 -0.00 0.01 -0.03 -0.03 0.14 -0.03 -0.06 -0.10 -0.19 0.18 0.10 -0.27 -0.05 0.00 0.01 0.03 -0.02 0.09 -0.05 0.00 -0.00 -0.10 0.02 -0.08 -0.01 0.00 0.11 -0.03 -0.06 -0.04 -0.00 -0.01 -0.00 0.01 -0.02 -0.02 0.01 0.06 0.03 -0.00 0.01 0.00 -0.00 -0.06 0.01 -0.00 0.00 0.01 -0.00 -0.05 -0.09 -0.07 0.01 -0.00 0.01 -0.05 0.03 -0.00 0.02 -0.03 -0.02 -0.02 0.02 -0.03 0.03 -0.01 -0.01 -0.09 0.03 -0.00 0.13 0.03 -0.02 -0.09 0.01 0.03 -0.07 0.01 0.00 0.01 -0.00 -0.00 0.03 -0.03 0.01 -0.05 -0.02 -0.08 0.01 0.01 0.08 0.37 -0.16 0.12 -0.10 0.07 0.03 0.00 0.04 -0.00 0.01 -0.03 0.00 -0.00 -0.02 0.01 -0.04 0.01 0.01 0.04 -0.03 -0.01 -0.03 0.01 0.10 -0.04 -0.01 -0.01 0.00 -0.28 -0.07 0.03 0.36 0.01 0.00 -0.01 0.00 -0.03 0.19 0.18 -0.13 0.02 0.14 0.00 0.03 -0.04 0.12 -0.30 -0.13 0.03 -0.01 -0.01 -0.07 -0.06 -0.01 0.01 0.10 0.01 -0.07 0.02 0.04 0.03 -0.24 0.04 0.37 0.22 -0.04 -0.00 -0.01 -0.00 0.10 0.05 0.00 0.00 -0.01 0.01 -0.00 0.00 -0.00 0.02 0.00 -0.00 0.01 0.00 -0.00 -0.02 -0.03 -0.03 0.01 -0.00 -0.00 -0.02 -0.01 -0.01 0.00 -0.04 0.01 -0.01 0.01 -0.00 0.01 -0.04 0.01 -0.05 0.06 0.03 0.03 -0.04 0.00 0.11 0.03 -0.00 -0.00 0.00 -0.00 0.01 0.02 -0.00 -0.02 0.01 0.00 0.02 -0.14 0.07 -0.15 0.42 -0.38 -0.00 -0.27 -0.04 -0.03 -0.01 -0.02 -0.01 -0.02 0.00 0.07 -0.16 -0.06 -0.00 0.02 -0.02 -0.04 0.01 0.03 0.07 -0.03 -0.06 -0.19 0.03 0.18 -0.01 0.01 -0.00 -0.00 -0.06 -0.02 0.00 0.07 -0.00 -0.00 -0.00 0.00 -0.00 0.02 0.02 -0.29 0.08 0.24 -0.08 -0.07 0.06 -0.08 0.23 0.12 -0.04 -0.00 -0.00 0.08 -0.00 0.05 -0.02 -0.11 0.02 0.09 -0.00 -0.05 -0.02 -0.13 0.02 -0.23 -0.13 0.02 -0.01 -0.01 -0.02 0.07 0.07 -0.01 0.02 -0.01 0.01 -0.01 0.00 0.00 0.13 -0.01 0.00 0.00 -0.00 0.00 0.02 0.02 0.02 0.01 -0.00 -0.01 -0.03 -0.01 -0.01 -0.02 -0.02 0.03 -0.01 0.02 0.02 -0.02 0.05 -0.01 0.01 -0.09 0.02 0.06 0.04 -0.01 0.02 -0.02 -0.05 -0.04 0.00 -0.01 -0.01 0.01 0.00 0.01 -0.01 -0.00 0.10 -0.16 0.23 0.07 -0.18 0.15 -0.20 0.46 0.09 0.09 -0.04 0.04 0.02 -0.02 0.00 -0.04 0.01 0.06 -0.07 0.00 0.01 -0.01 -0.02 -0.03 0.04 0.01 -0.06 -0.28 0.07 0.22 -0.03 -0.02 -0.00 0.02 0.03 0.05 0.01 0.16 -0.00 0.01 -0.01 -0.01 -0.03 0.14 0.14 -0.12 0.00 0.17 0.42 -0.05 0.02 -0.12 0.28 0.08 -0.00 0.00 0.02 0.02 0.06 -0.02 -0.00 -0.01 -0.05 0.02 -0.05 -0.01 0.01 -0.05 0.00 0.02 0.03 -0.01 0.01 0.01 0.01 0.02 -0.03 0.01 -0.03 -0.00 -0.02 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 0.00 0.01 -0.03 0.02 -0.00 0.00 -0.02 -0.00 -0.02 0.02 -0.01 -0.02 0.05 -0.02 -0.05 -0.04 -0.01 0.02 0.04 0.00 0.08 -0.05 0.02 -0.04 0.01 0.00 -0.01 0.02 -0.00 0.01 -0.01 -0.01 0.08 -0.29 0.26 -0.00 0.04 -0.08 0.24 0.07 0.13 0.23 -0.07 0.10 -0.03 0.05 -0.03 0.13 -0.29 -0.14 -0.00 -0.09 0.04 0.03 0.08 -0.01 -0.02 -0.00 0.04 0.00 -0.00 0.03 0.00 0.00 0.00 -0.00 -0.06 -0.02 -0.00 -0.03 -0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.00 0.24 -0.05 -0.23 -0.19 0.41 -0.34 0.01 0.03 0.01 -0.02 0.01 -0.01 0.06 0.00 0.04 -0.01 -0.04 0.02 0.06 0.01 -0.04 0.01 -0.04 0.01 -0.10 -0.03 0.02 -0.00 -0.02 -0.01 -0.12 0.01 -0.02 0.10 -0.00 0.05 -0.01 0.01 0.01 0.09 -0.01 0.01 0.00 0.00 -0.01 0.00 -0.04 -0.03 -0.01 -0.02 0.00 0.05 0.02 0.02 0.02 0.06 -0.04 0.04 -0.06 -0.03 0.01 -0.04 0.07 0.03 -0.09 -0.02 -0.02 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 -0.09 0.30 -0.21 -0.07 0.21 -0.17 -0.26 0.52 0.04 0.06 -0.03 0.01 -0.03 0.07 0.02 0.13 -0.21 -0.10 0.04 -0.01 -0.03 -0.01 0.03 0.03 0.03 0.00 -0.04 -0.26 0.03 0.15 0.01 0.01 0.00 -0.01 -0.07 -0.04 -0.01 -0.07 0.00 -0.00 0.00 0.00 0.01 -0.02 -0.02 -0.04 0.02 0.01 -0.17 -0.07 0.03 0.15 -0.37 -0.12 0.00 -0.00 -0.01 -0.02 -0.01 -0.00 0.00 0.02 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.02 0.01 -0.00 -0.00 -0.01 -0.02 -0.02 0.05 -0.02 0.03 -0.02 0.04 -0.00 0.00 0.01 0.09 -0.01 0.01 -0.00 -0.00 -0.00 0.01 0.01 0.01 0.00 -0.01 -0.01 0.01 -0.00 -0.01 -0.02 0.01 0.03 0.01 -0.01 0.02 0.00 -0.01 0.01 -0.01 -0.00 -0.01 -0.00 0.03 0.03 0.01 -0.00 0.01 0.06 -0.00 -0.01 -0.00 -0.00 -0.00 -0.01 0.01 0.00 -0.02 0.02 -0.03 -0.01 0.05 -0.05 0.02 0.01 0.00 -0.34 -0.10 -0.29 -0.01 0.01 0.00 0.04 -0.04 -0.05 0.01 -0.02 0.00 0.00 0.01 -0.00 -0.00 -0.00 0.01 0.01 -0.00 -0.00 -0.04 -0.08 -0.04 0.03 0.60 0.25 0.01 0.26 -0.01 0.03 -0.02 -0.02 -0.05 0.28 0.27 0.03 -0.01 -0.02 -0.04 0.08 -0.08 0.02 -0.07 -0.03 -0.00 0.00 -0.00 0.00 -0.01 0.01 0.00 -0.01 0.01 0.00 0.00 -0.00 -0.01 0.07 -0.01 -0.04 -0.02 0.00 -0.00 -0.01 -0.00 -0.04 0.00 -0.01 0.04 0.01 0.01 -0.00 0.00 0.00 0.04 -0.00 0.00 -0.02 -0.02 0.02 0.08 0.21 0.18 -0.00 -0.00 -0.00 0.01 0.00 0.00 0.00 0.00 -0.01 0.01 -0.01 -0.00 0.01 -0.03 0.04 -0.04 -0.02 -0.05 0.04 0.01 0.02 0.03 0.01 -0.00 -0.01 0.01 -0.01 0.01 0.01 0.00 -0.01 0.01 -0.00 -0.08 0.09 -0.11 -0.08 0.24 -0.25 0.22 0.09 0.08 0.04 -0.06 -0.02 -0.00 0.03 0.03 0.11 -0.26 -0.04 -0.08 0.02 -0.03 0.03 -0.03 -0.04 -0.04 0.01 0.06 0.18 -0.04 -0.16 -0.01 -0.00 0.00 -0.00 -0.04 -0.01 0.01 0.06 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.25 -0.07 -0.19 0.48 -0.26 0.16 -0.01 0.01 -0.00 -0.01 -0.00 -0.00 0.03 -0.00 0.02 -0.01 -0.02 -0.00 0.04 -0.00 -0.02 -0.00 -0.11 0.02 -0.09 -0.06 0.01 0.01 0.02 0.04 0.11 -0.05 0.04 -0.19 -0.02 -0.08 0.02 -0.01 -0.02 -0.25 0.03 -0.01 -0.00 -0.00 0.00 0.00 0.03 0.02 -0.02 0.02 0.01 0.05 -0.05 0.02 0.03 -0.08 -0.08 0.06 -0.04 -0.03 0.03 -0.05 0.05 -0.01 -0.02 -0.03 0.03 0.00 0.01 -0.05 0.04 -0.00 -0.04 0.03 -0.01 0.05 0.02 -0.00 -0.00 0.01 -0.01 -0.12 0.26 -0.26 -0.06 0.18 -0.13 0.05 0.16 0.04 0.19 -0.25 -0.05 0.04 -0.09 -0.04 -0.19 0.37 0.14 -0.01 -0.01 0.04 0.01 -0.01 -0.01 -0.01 0.00 0.02 0.03 -0.03 -0.07 -0.01 0.00 -0.00 0.02 -0.03 0.01 -0.01 0.02 0.01 0.00 -0.00 -0.00 -0.01 0.02 0.03 0.04 0.00 -0.06 -0.04 0.25 -0.17 -0.13 0.30 0.07 0.01 -0.02 0.00 -0.02 0.05 -0.07 -0.00 0.07 -0.01 -0.02 0.08 0.05 0.01 -0.27 0.04 -0.06 -0.05 0.02 0.00 -0.01 -0.02 -0.18 -0.01 -0.03 0.19 0.05 0.04 -0.01 0.01 0.02 0.17 -0.02 0.01 -0.00 -0.01 0.01 0.03 0.06 0.05 0.00 -0.00 0.00 -0.01 0.02 0.00 0.01 0.03 0.00 -0.02 0.01 -0.01 0.00 -0.00 0.01 -0.00 0.01 -0.00 0.00 0.01 0.01 0.01 0.01 -0.00 0.01 -0.04 0.01 -0.02 -0.01 0.00 -0.00 -0.01 0.01 -0.03 -0.01 -0.02 -0.00 0.03 -0.06 0.03 -0.01 0.01 -0.03 0.28 0.19 -0.01 0.02 0.01 0.01 -0.10 0.01 -0.03 0.02 -0.01 0.04 -0.05 -0.03 -0.01 0.01 0.02 0.07 -0.03 -0.08 -0.01 -0.01 -0.01 0.01 0.06 0.03 0.00 0.04 -0.00 0.00 -0.00 -0.00 -0.00 0.02 0.02 -0.01 0.00 0.01 0.24 -0.14 0.09 0.03 -0.05 0.01 0.00 0.01 -0.00 -0.02 -0.03 0.02 0.01 -0.05 0.00 -0.01 -0.04 -0.01 -0.01 0.10 -0.02 0.06 0.04 -0.02 -0.03 -0.03 -0.04 -0.26 0.05 -0.06 0.65 0.21 0.07 -0.03 0.02 0.03 0.36 -0.04 0.02 0.01 0.02 -0.01 -0.06 -0.14 -0.12 -0.01 -0.00 0.01 -0.01 0.06 0.01 0.01 0.07 -0.01 -0.04 0.02 -0.02 0.01 -0.03 0.02 0.01 0.00 -0.01 -0.01 0.00 0.04 0.01 0.03 -0.00 -0.02 -0.07 0.00 -0.02 0.00 0.00 -0.00 -0.02 0.01 -0.02 0.09 -0.07 -0.05 0.12 -0.10 -0.04 -0.01 -0.03 0.26 0.40 0.46 0.00 -0.02 -0.01 -0.03 0.08 0.01 0.02 -0.01 0.00 -0.02 0.02 0.02 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.02 -0.03 -0.02 0.03 0.31 0.14 -0.01 0.10 0.01 0.02 -0.01 -0.01 -0.02 0.14 0.13 0.02 -0.00 -0.03 -0.09 0.09 -0.07 -0.02 0.08 0.05 -0.01 -0.03 0.00 0.05 0.06 -0.04 -0.02 0.08 -0.01 0.05 0.08 0.01 -0.01 0.09 -0.02 0.10 0.08 -0.02 0.02 0.01 0.01 0.06 -0.03 0.02 -0.27 -0.09 -0.02 0.01 -0.01 -0.01 -0.12 0.01 -0.01 0.01 0.03 -0.03 -0.11 -0.27 -0.24 0.00 0.00 -0.00 0.02 -0.04 -0.00 -0.00 -0.05 -0.00 0.03 -0.02 0.01 0.00 0.01 -0.00 0.01 0.02 0.00 -0.02 -0.03 0.04 -0.02 -0.01 0.00 -0.05 0.03 -0.01 0.02 0.01 -0.00 0.01 0.00 -0.01 -0.01 -0.01 -0.01 0.02 -0.05 0.03 -0.06 -0.09 -0.05 0.38 -0.19 0.09 -0.00 0.01 0.00 0.01 -0.05 0.01 0.00 0.01 -0.02 0.02 0.00 0.02 -0.01 -0.00 -0.00 0.03 0.01 0.01 -0.01 -0.01 -0.02 0.07 0.16 0.12 -0.04 -0.02 0.05 0.01 -0.01 -0.01 -0.01 0.07 0.07 0.02 -0.01 -0.02 -0.02 -0.06 0.03 0.02 -0.04 -0.02 0.01 0.03 -0.01 -0.06 -0.09 0.06 0.02 -0.11 0.03 -0.06 -0.10 -0.02 0.02 -0.13 0.02 -0.04 -0.02 0.01 -0.06 -0.04 0.03 0.48 0.21 0.06 0.27 0.14 -0.09 0.00 0.01 -0.03 -0.22 0.02 -0.02 0.00 -0.00 -0.00 0.01 0.02 0.01 0.02 -0.05 -0.02 -0.07 0.25 -0.02 -0.04 0.23 0.14 -0.18 0.13 0.12 0.00 0.01 -0.01 0.01 0.03 0.01 -0.02 -0.04 0.04 -0.01 -0.02 0.01 -0.07 0.05 -0.02 0.00 0.01 -0.00 0.02 -0.01 -0.01 0.03 -0.02 0.03 0.01 -0.05 0.07 -0.06 -0.15 -0.07 0.47 -0.28 0.07 -0.01 0.02 0.02 0.06 -0.03 -0.05 0.01 0.02 -0.03 -0.02 -0.02 -0.00 0.01 -0.00 -0.00 0.01 -0.01 -0.03 -0.01 -0.00 -0.02 0.03 0.18 0.09 -0.03 -0.04 0.01 0.01 -0.01 -0.01 -0.01 0.09 0.09 -0.08 0.03 0.06 0.02 -0.11 0.08 0.03 -0.14 -0.08 0.01 0.05 -0.01 -0.08 -0.16 0.11 0.04 -0.18 0.04 -0.08 -0.18 -0.04 0.03 -0.09 0.02 0.02 0.02 0.00 0.04 0.03 -0.03 -0.34 -0.13 -0.05 -0.12 -0.07 0.06 -0.01 -0.00 0.02 0.20 -0.02 0.02 0.00 -0.01 -0.00 0.02 0.04 0.03 -0.02 0.05 0.01 0.08 -0.21 0.02 0.03 -0.23 -0.12 0.18 -0.12 -0.07 -0.01 0.00 -0.01 0.00 0.02 0.01 -0.01 -0.03 0.02 0.03 0.02 -0.00 -0.03 0.07 -0.01 -0.06 -0.00 0.00 0.03 -0.06 -0.00 0.01 -0.05 0.04 0.01 -0.02 -0.01 -0.01 -0.10 -0.03 0.21 -0.24 -0.08 -0.01 0.01 0.01 0.04 -0.10 -0.03 -0.00 0.01 -0.02 0.01 -0.01 -0.00 -0.00 -0.00 -0.00 0.02 -0.00 -0.01 0.00 0.00 -0.01 0.02 0.05 0.03 -0.02 -0.05 0.02 0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.02 0.01 0.02 0.04 -0.09 0.06 0.01 -0.04 0.00 -0.03 -0.11 0.02 0.20 0.35 -0.24 -0.09 0.44 -0.09 0.21 0.42 0.08 0.03 0.21 -0.02 0.22 0.17 -0.02 -0.01 -0.01 -0.01 -0.02 0.03 -0.01 0.10 0.04 0.00 -0.01 0.00 0.00 0.04 -0.00 0.00 -0.00 -0.01 0.01 0.04 0.10 0.09 -0.00 0.00 -0.00 0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 0.00 -0.00 0.01 -0.00 0.01 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.01 -0.01 0.00 0.02 0.00 -0.00 -0.01 0.02 -0.00 -0.00 -0.00 0.00 0.01 -0.04 0.03 -0.05 0.02 -0.01 -0.03 0.03 0.01 -0.00 -0.00 -0.01 -0.05 0.03 0.04 0.01 -0.00 0.00 0.02 0.00 0.01 0.01 -0.00 -0.01 -0.06 0.01 0.03 -0.00 0.00 0.01 -0.04 -0.00 -0.03 0.01 -0.01 -0.04 0.00 -0.00 0.00 0.00 0.02 0.02 -0.03 0.02 0.00 -0.09 0.05 -0.03 0.02 0.01 0.04 0.00 -0.01 0.00 -0.00 0.05 -0.05 -0.00 0.04 -0.01 0.00 0.06 0.02 -0.01 -0.07 0.01 -0.07 -0.05 0.01 -0.06 -0.03 0.02 0.39 0.14 0.05 0.33 0.14 -0.01 0.00 0.01 -0.02 -0.14 0.02 -0.01 0.00 0.00 -0.00 -0.00 -0.01 -0.01 -0.06 0.08 0.02 0.26 -0.35 0.07 0.07 -0.37 -0.28 0.35 -0.25 -0.09 0.00 -0.03 0.02 -0.01 -0.01 -0.01 0.01 -0.01 -0.01 0.04 0.04 -0.01 0.00 0.05 -0.00 -0.11 -0.01 0.01 0.04 -0.10 0.01 0.01 0.09 -0.03 -0.07 0.17 -0.11 0.02 0.06 0.02 -0.04 -0.06 -0.10 0.01 -0.04 -0.01 -0.02 0.08 -0.01 -0.01 -0.00 0.02 0.01 0.00 0.00 0.00 0.00 0.00 -0.02 -0.01 -0.01 0.01 0.01 0.01 -0.01 -0.05 -0.04 0.01 -0.01 0.00 -0.01 0.00 0.00 0.01 -0.05 -0.04 0.02 0.01 -0.04 -0.03 0.08 -0.05 -0.09 0.20 0.05 -0.00 0.05 -0.01 -0.01 -0.22 0.20 0.03 -0.22 0.07 -0.05 -0.29 -0.10 0.02 0.48 -0.07 0.42 0.32 -0.05 -0.02 -0.01 0.01 0.14 0.04 0.02 0.05 0.03 -0.02 0.00 0.00 -0.01 -0.07 0.01 -0.01 -0.00 -0.01 0.01 0.03 0.06 0.05 -0.01 0.01 0.00 0.03 -0.04 0.01 0.01 -0.04 -0.04 0.04 -0.03 -0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 0.01 0.01 0.01 -0.00 -0.00 0.00 -0.02 0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.02 -0.01 -0.01 0.01 -0.01 -0.02 -0.02 0.00 -0.01 0.06 -0.05 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 -0.01 0.00 -0.02 0.10 0.10 0.12 0.06 -0.08 0.02 -0.07 0.22 -0.01 0.08 0.56 0.32 -0.05 0.04 -0.01 0.04 -0.46 -0.44 0.06 -0.14 0.13 -0.00 0.01 -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 0.01 -0.04 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.01 -0.00 0.01 -0.00 0.02 -0.00 0.00 0.00 0.02 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.03 -0.02 -0.00 0.00 -0.00 0.02 -0.00 0.00 -0.00 -0.03 -0.01 0.02 -0.01 0.02 -0.01 -0.02 -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 0.19 0.13 0.09 -0.11 0.14 0.17 0.00 -0.01 -0.00 0.02 -0.01 0.00 -0.00 0.01 -0.01 -0.05 -0.06 0.06 0.00 0.00 -0.01 -0.01 -0.01 0.02 0.00 0.00 -0.00 -0.02 -0.01 -0.02 0.00 -0.00 -0.00 -0.00 0.02 0.00 0.00 0.03 0.01 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.01 0.01 -0.01 -0.01 -0.02 0.01 0.06 -0.01 0.07 0.00 -0.00 0.01 -0.09 0.00 -0.05 0.01 -0.05 -0.06 0.00 0.06 0.02 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.02 -0.02 0.15 -0.22 -0.01 0.01 -0.07 0.25 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.01 -0.01 -0.02 0.04 0.20 -0.27 0.06 0.26 0.39 -0.32 -0.34 0.17 -0.34 0.01 0.03 0.03 0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.03 0.01 0.01 0.00 -0.00 -0.00 0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.30 -0.18 -0.16 0.17 -0.24 -0.23 -0.02 0.01 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.02 0.03 0.02 0.01 0.00 -0.00 -0.01 -0.00 0.01 -0.00 0.00 -0.01 0.05 0.05 0.05 -0.00 0.00 -0.00 0.03 -0.01 0.02 -0.01 -0.04 0.01 0.00 -0.00 0.00 -0.00 0.02 0.02 0.01 -0.05 0.07 -0.02 0.00 -0.00 0.01 -0.02 -0.00 -0.04 0.01 0.00 0.29 -0.16 0.30 -0.06 0.29 -0.10 0.34 -0.24 -0.24 -0.00 -0.02 0.00 -0.01 -0.01 0.00 0.01 -0.00 0.00 -0.03 0.06 -0.00 -0.03 -0.00 -0.05 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 -0.01 0.01 0.19 -0.07 0.05 0.14 0.12 -0.21 -0.15 0.09 -0.06 0.00 0.01 0.02 -0.00 -0.00 0.00 0.00 -0.00 -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 -0.12 -0.11 -0.04 0.07 -0.07 -0.14 -0.01 0.01 0.00 -0.01 0.01 -0.00 -0.00 -0.00 0.01 0.04 0.04 -0.04 0.00 0.00 -0.00 -0.01 -0.01 0.01 0.00 0.00 -0.01 0.00 0.01 0.01 -0.00 0.00 -0.01 0.04 -0.02 0.03 -0.02 -0.02 0.04 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.01 0.02 -0.00 -0.01 0.01 -0.04 -0.00 -0.05 0.01 -0.01 -0.04 0.23 0.24 -0.12 0.03 -0.02 0.60 -0.50 -0.05 0.18 -0.00 0.02 -0.01 0.00 0.00 -0.01 0.01 -0.01 0.01 -0.06 0.09 0.00 -0.04 0.01 -0.10 0.00 -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 0.21 0.01 0.06 0.12 0.07 -0.19 -0.12 0.08 0.03 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 0.01 0.00 0.01 0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.03 -0.02 -0.01 0.01 -0.02 -0.04 0.01 -0.00 0.00 -0.03 0.02 -0.01 -0.00 -0.01 0.01 0.08 0.05 -0.09 0.00 0.00 0.01 -0.02 -0.01 -0.00 0.01 -0.00 0.00 -0.03 -0.02 -0.02 -0.00 0.01 -0.02 0.15 -0.06 0.11 -0.08 -0.02 0.16 -0.00 0.00 -0.00 -0.00 -0.01 -0.01 -0.03 0.03 0.00 -0.00 0.01 -0.00 -0.08 0.03 -0.08 0.02 0.00 0.02 -0.35 -0.05 -0.13 0.02 -0.20 -0.30 0.07 0.19 0.05 -0.00 0.02 -0.00 0.02 0.01 -0.00 0.01 -0.01 0.01 -0.10 0.12 0.00 -0.06 0.02 -0.15 0.00 -0.00 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.03 -0.02 -0.01 0.43 0.24 0.11 0.14 -0.09 -0.29 -0.09 0.11 0.36 -0.01 -0.03 -0.03 -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 -0.00 -0.00 -0.00 0.01 -0.00 0.28 0.20 0.13 -0.16 0.20 0.29 0.02 0.00 0.01 -0.02 0.01 -0.01 0.00 0.01 -0.02 -0.11 -0.06 0.13 0.00 0.00 -0.00 -0.01 -0.00 -0.01 0.01 -0.00 0.01 -0.07 -0.05 -0.06 -0.00 0.00 -0.01 0.11 -0.04 0.09 -0.06 0.01 0.14 -0.00 0.00 -0.00 0.00 -0.02 -0.02 -0.03 0.06 -0.06 0.01 -0.01 0.00 0.11 -0.04 0.13 -0.02 -0.00 -0.01 0.34 -0.01 0.18 -0.04 0.24 0.16 0.07 -0.20 -0.11 -0.00 -0.03 0.00 -0.03 -0.03 0.00 -0.00 0.01 -0.01 -0.00 -0.08 -0.01 0.02 -0.01 0.08 -0.00 0.00 0.00 0.02 0.00 0.00 -0.00 -0.00 0.00 0.01 0.01 0.01 -0.02 -0.01 -0.02 0.20 0.26 0.05 0.00 -0.17 -0.07 0.04 0.02 0.34 0.01 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 -0.01 0.00 -0.00 0.00 -0.01 0.00 -0.18 -0.12 -0.09 0.10 -0.11 -0.19 -0.00 0.01 -0.00 -0.01 0.00 -0.01 -0.00 0.01 -0.03 -0.18 -0.14 0.20 0.00 0.00 -0.00 -0.00 0.01 -0.01 -0.02 0.00 -0.02 0.17 0.13 0.15 -0.01 0.01 -0.01 0.04 -0.03 0.03 -0.03 -0.11 -0.01 0.01 -0.00 0.00 -0.00 0.05 0.05 0.09 -0.17 0.15 -0.01 0.00 -0.00 0.17 -0.01 0.24 0.01 0.00 0.00 -0.10 0.02 -0.07 0.02 -0.10 0.01 -0.08 0.05 0.05 -0.00 0.03 -0.00 0.02 0.02 -0.00 -0.02 0.04 -0.03 0.18 -0.42 -0.02 0.04 -0.11 0.44 -0.00 0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.02 0.02 -0.00 -0.01 -0.02 0.05 0.17 0.01 -0.04 -0.12 0.02 0.06 -0.01 0.21 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 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 -0.10 -0.08 -0.05 0.07 -0.09 -0.09 -0.01 -0.00 0.00 -0.00 -0.01 -0.01 0.00 0.02 -0.05 -0.31 -0.24 0.35 0.00 0.00 -0.01 0.01 0.00 0.01 0.02 -0.00 0.02 -0.22 -0.16 -0.17 0.00 -0.01 -0.01 0.09 -0.01 0.07 -0.05 0.07 0.16 -0.01 0.00 -0.00 0.00 -0.04 -0.04 -0.12 0.22 -0.18 -0.01 -0.01 -0.00 0.31 -0.04 0.43 0.01 0.00 0.00 -0.09 -0.00 -0.04 0.01 -0.08 -0.03 -0.04 0.03 0.03 -0.00 0.02 -0.00 0.01 0.01 -0.00 0.01 -0.01 0.01 -0.12 0.18 0.00 -0.11 0.03 -0.22 0.01 -0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.00 0.02 0.03 0.02 0.00 0.00 0.01 -0.06 -0.08 -0.01 -0.00 0.04 0.02 -0.00 -0.02 -0.10 0.00 0.01 0.01 0.00 0.00 0.01 0.00 0.01 -0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.10 -0.09 -0.04 0.07 -0.10 -0.09 0.01 -0.00 0.01 -0.04 0.02 -0.01 -0.00 -0.01 0.03 0.15 0.10 -0.16 -0.00 -0.00 0.00 0.01 0.00 -0.00 0.03 -0.01 0.03 -0.25 -0.18 -0.19 -0.00 0.00 -0.04 0.29 -0.09 0.22 -0.16 0.03 0.40 -0.01 0.00 -0.01 0.00 -0.06 -0.06 -0.13 0.25 -0.22 0.02 -0.00 0.00 -0.15 0.02 -0.20 -0.00 -0.00 -0.00 0.03 0.00 0.01 -0.00 0.02 0.02 0.00 -0.01 -0.01 -0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.01 0.02 -0.02 0.16 -0.26 -0.00 0.07 -0.06 0.30 -0.00 0.00 -0.00 -0.03 0.01 -0.00 0.00 0.00 0.00 -0.01 -0.01 -0.01 0.01 0.01 0.00 -0.11 -0.04 -0.03 -0.04 -0.00 0.08 0.05 -0.05 -0.08 -0.00 -0.01 -0.01 -0.00 -0.00 -0.00 0.00 0.01 -0.01 0.00 0.00 -0.00 0.01 -0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.08 0.07 0.03 -0.06 0.09 0.06 0.01 0.02 0.00 -0.06 0.04 -0.02 0.00 0.00 -0.00 -0.02 -0.02 0.03 -0.00 -0.00 0.00 0.00 0.01 0.00 -0.03 0.01 -0.03 0.25 0.20 0.22 -0.02 0.03 -0.05 0.39 -0.16 0.29 -0.23 -0.18 0.41 0.00 -0.00 -0.00 -0.00 0.03 0.03 0.14 -0.27 0.22 -0.01 0.01 -0.00 0.02 0.00 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 0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.02 0.01 -0.07 0.15 0.00 -0.02 0.04 -0.16 0.00 -0.00 0.00 0.02 -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.01 -0.13 -0.16 -0.03 -0.02 0.03 0.06 0.05 -0.06 -0.20 -0.00 -0.01 0.01 0.00 -0.00 -0.00 0.00 0.01 0.00 0.05 0.06 -0.01 -0.02 -0.06 0.01 -0.30 -0.42 0.05 0.19 0.50 -0.06 -0.02 -0.01 -0.00 0.00 0.02 -0.07 -0.01 0.00 0.00 0.14 -0.21 -0.00 -0.00 -0.01 -0.01 -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 -0.01 -0.00 -0.00 -0.02 0.02 -0.00 0.01 0.03 -0.02 0.00 -0.00 -0.00 -0.00 0.01 0.01 0.00 -0.00 0.00 -0.00 0.01 -0.01 0.01 0.05 0.06 0.01 -0.00 0.00 -0.01 -0.02 0.00 0.01 0.01 -0.01 -0.01 -0.02 0.00 0.28 -0.32 0.03 0.40 -0.06 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 -0.01 0.02 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 0.01 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 0.01 -0.02 0.04 0.05 -0.08 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -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 -0.06 -0.67 -0.22 0.69 0.11 -0.01 0.02 0.00 -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 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -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 -0.01 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 -0.04 0.02 0.04 0.07 0.03 0.01 0.00 0.00 -0.00 -0.00 -0.01 0.01 0.00 -0.00 0.00 -0.03 -0.00 -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 -0.01 -0.01 -0.00 0.00 0.00 0.02 0.01 -0.01 0.00 0.05 -0.01 0.22 -0.36 -0.44 -0.50 -0.05 0.01 0.23 -0.17 0.53 -0.00 0.00 -0.00 -0.01 0.02 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 -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 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 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 0.09 -0.04 -0.09 -0.22 -0.11 -0.03 -0.01 -0.00 0.01 -0.01 -0.01 0.02 0.00 0.00 0.00 -0.02 -0.00 -0.02 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.01 -0.01 0.01 -0.08 0.03 -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 0.14 0.18 0.10 -0.00 -0.01 -0.02 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 -0.01 -0.01 -0.01 -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 0.01 -0.00 -0.15 -0.07 0.16 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 0.03 -0.02 -0.04 -0.16 -0.03 0.71 -0.35 0.05 -0.22 0.17 0.22 -0.05 -0.03 -0.04 -0.03 -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 -0.28 0.15 0.28 0.61 0.29 0.09 0.04 0.02 -0.10 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.06 0.01 0.05 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.02 0.02 0.02 -0.01 0.08 -0.03 -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 -0.20 -0.26 -0.15 -0.00 -0.02 -0.03 -0.02 -0.01 0.01 0.00 -0.00 0.00 -0.02 0.03 0.03 0.03 0.00 -0.00 -0.02 0.02 -0.05 0.00 -0.00 0.00 0.00 -0.01 0.00 -0.00 0.01 -0.00 -0.00 0.00 0.06 0.04 -0.11 -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 0.01 -0.01 -0.02 -0.08 -0.02 0.33 -0.16 0.02 -0.11 0.08 0.10 -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 0.05 -0.03 -0.05 -0.04 -0.02 -0.01 -0.07 -0.05 0.18 -0.01 -0.01 0.02 0.00 0.00 -0.00 0.02 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 0.03 0.02 0.03 -0.04 0.19 -0.09 -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 -0.29 -0.37 -0.21 -0.00 -0.01 -0.01 -0.06 -0.03 0.03 0.00 -0.00 0.00 -0.01 0.01 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 0.01 -0.05 0.02 0.03 -0.01 -0.47 -0.24 0.55 0.20 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 -0.05 0.03 -0.00 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 0.04 0.04 -0.06 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.02 -0.01 -0.00 0.02 0.02 -0.06 -0.41 -0.47 0.76 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 0.01 -0.00 0.00 0.00 -0.01 -0.07 -0.02 0.07 0.02 -0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.02 -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 0.01 0.00 -0.00 -0.00 0.00 -0.01 0.05 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.02 0.01 -0.02 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.01 -0.01 -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 0.02 0.02 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 0.21 -0.12 -0.21 -0.18 -0.08 -0.02 -0.17 -0.12 0.45 0.00 0.00 -0.00 0.00 -0.00 0.01 -0.09 -0.01 -0.08 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.03 0.01 0.03 -0.04 0.20 -0.09 -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 -0.27 -0.35 -0.20 0.00 -0.01 -0.01 0.07 0.04 -0.04 -0.00 0.00 -0.00 0.01 -0.01 -0.02 -0.01 -0.00 -0.00 0.01 -0.01 0.03 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 0.03 -0.02 -0.02 0.00 0.32 0.15 -0.36 -0.13 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.01 -0.03 -0.01 0.14 -0.08 0.01 -0.05 0.03 0.05 -0.01 0.00 0.00 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 0.02 -0.01 -0.02 -0.02 -0.01 -0.00 -0.08 -0.05 0.20 -0.01 -0.01 0.02 -0.04 0.00 -0.06 0.66 0.10 0.59 0.00 0.01 0.02 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 0.05 0.06 0.03 -0.01 -0.14 -0.19 -0.23 -0.13 0.12 0.00 0.00 -0.00 0.01 -0.02 -0.02 -0.03 -0.00 0.00 0.01 -0.01 0.03 0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.04 0.02 -0.05 -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 0.01 -0.00 0.01 0.00 -0.00 0.00 -0.03 -0.02 -0.01 0.02 0.02 -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 -0.04 0.02 0.04 0.36 0.18 0.06 -0.26 -0.19 0.68 -0.03 -0.03 0.05 0.01 0.00 0.01 -0.12 -0.02 -0.11 -0.00 -0.01 -0.01 -0.00 0.00 0.00 -0.02 -0.02 -0.02 0.01 -0.07 0.03 0.00 0.00 -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 0.24 0.30 0.18 0.01 0.07 0.09 0.02 0.01 -0.01 0.00 -0.00 0.00 -0.01 0.02 0.02 0.01 0.00 -0.00 -0.01 0.01 -0.03 0.01 0.00 -0.00 0.01 -0.01 0.00 0.00 -0.01 0.01 0.01 0.00 -0.11 -0.03 0.08 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 0.01 0.00 -0.04 0.02 -0.00 0.01 -0.01 -0.02 0.00 0.06 -0.00 -0.03 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 -0.36 0.21 0.39 -0.32 -0.17 -0.06 -0.04 -0.03 0.12 0.00 0.00 -0.01 -0.00 0.00 -0.01 0.10 0.01 0.09 -0.00 -0.04 -0.04 0.00 -0.00 -0.00 0.00 -0.01 0.01 -0.03 0.14 -0.07 -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 -0.01 -0.02 -0.01 0.03 0.42 0.52 -0.05 -0.03 0.03 -0.01 0.00 -0.00 0.00 -0.00 -0.01 0.04 0.00 -0.00 0.01 -0.01 0.03 -0.00 -0.00 -0.00 -0.01 0.01 -0.00 0.00 0.00 -0.01 -0.00 -0.00 0.07 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 0.01 -0.04 0.01 -0.02 0.00 0.01 -0.00 -0.05 0.01 0.03 -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 0.35 -0.20 -0.37 0.25 0.13 0.05 0.05 0.04 -0.13 0.01 0.01 -0.01 -0.01 0.00 -0.01 0.14 0.02 0.13 -0.00 -0.04 -0.05 0.00 0.00 -0.00 0.00 0.02 -0.01 0.05 -0.21 0.11 0.00 -0.00 0.00 0.01 0.00 -0.01 -0.03 0.01 -0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.05 -0.06 -0.04 0.04 0.43 0.53 -0.06 -0.04 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 -0.05 -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 -0.06 0.01 -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 -0.05 0.01 -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 -0.01 0.00 0.01 0.00 0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.01 -0.01 0.00 0.03 0.00 0.03 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 0.02 -0.07 0.03 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 -0.02 -0.01 -0.00 -0.01 -0.01 0.11 0.07 -0.06 0.00 -0.02 -0.09 -0.26 0.43 0.50 -0.05 -0.01 -0.02 0.26 -0.20 0.59 -0.00 -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 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -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 -0.02 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 0.10 -0.06 -0.11 0.10 0.05 0.02 0.05 0.04 -0.13 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.03 0.00 0.03 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.07 0.02 -0.18 0.70 -0.36 -0.01 0.00 -0.00 0.01 0.00 -0.01 0.10 -0.02 0.04 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.16 0.18 0.12 0.00 0.05 0.06 0.02 0.01 -0.01 0.00 -0.00 -0.01 -0.02 0.03 0.03 -0.01 -0.00 -0.00 0.02 -0.02 0.04 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 0.02 0.03 0.02 0.00 -0.32 0.09 -0.21 -0.07 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 -0.01 -0.02 -0.00 0.09 0.11 -0.01 0.06 -0.02 -0.02 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 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.07 -0.04 -0.08 0.10 0.05 0.02 0.02 0.02 -0.06 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 -0.00 -0.00 -0.03 0.01 -0.07 0.29 -0.15 -0.00 0.00 -0.00 0.00 0.00 -0.01 0.04 -0.01 0.02 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.08 0.09 0.06 0.00 0.03 0.03 -0.06 -0.04 0.04 0.02 -0.00 -0.00 -0.03 0.06 0.08 -0.19 -0.02 0.01 -0.02 0.02 -0.05 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.02 -0.04 -0.07 -0.04 -0.01 0.70 -0.19 0.46 0.15 -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 0.00 0.00 -0.02 -0.06 0.01 -0.04 0.02 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 -0.03 0.02 0.04 -0.03 -0.02 -0.01 -0.01 -0.00 0.02 -0.00 -0.00 0.01 -0.06 -0.03 0.02 0.16 0.02 0.16 -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 -0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.01 -0.00 0.00 0.01 0.01 0.56 0.34 -0.34 0.06 -0.01 0.02 -0.03 0.07 0.08 -0.51 -0.06 0.02 -0.12 0.10 -0.29 -0.00 0.00 -0.00 0.02 -0.03 0.00 -0.00 -0.00 0.01 0.00 0.00 -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 0.01 -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 -0.02 0.01 0.02 -0.03 -0.01 -0.01 -0.01 -0.00 0.01 0.00 0.00 -0.00 0.02 0.01 -0.01 -0.06 -0.01 -0.06 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 -0.00 0.03 -0.10 0.06 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 -0.03 -0.03 -0.02 0.00 0.02 0.03 -0.20 -0.12 0.12 0.03 -0.01 -0.00 -0.04 0.08 0.09 -0.28 -0.03 0.01 -0.03 0.03 -0.09 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.05 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 -0.03 0.02 -0.07 -0.12 -0.02 0.46 0.61 -0.08 0.36 -0.14 -0.18 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 0.03 -0.02 -0.04 0.06 0.03 0.01 0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.04 -0.02 0.01 0.12 0.02 0.12 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -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 0.01 0.01 0.01 0.00 0.03 0.04 0.39 0.23 -0.24 -0.06 0.01 0.00 0.08 -0.15 -0.19 0.59 0.07 -0.02 0.07 -0.06 0.19 0.01 -0.00 -0.00 0.00 0.00 -0.00 0.01 -0.01 -0.02 -0.01 -0.00 0.15 -0.07 0.17 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 -0.01 0.01 -0.03 -0.06 -0.01 0.22 0.28 -0.04 0.17 -0.07 -0.08 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 -0.06 0.00 -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 0.01 -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 0.01 -0.01 0.00 -0.00 -0.00 -0.01 0.01 0.02 -0.01 0.00 0.00 -0.00 0.01 -0.01 0.51 0.01 -0.02 -0.46 0.72 -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 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 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 -0.02 0.00 -0.00 0.01 0.01 -0.02 0.17 -0.03 0.07 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 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 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.07 -0.06 0.01 0.01 -0.00 -0.12 0.30 -0.05 0.19 0.53 0.71 -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 -0.02 0.04 -0.00 -0.08 -0.01 0.00 0.00 -0.00 -0.00 -0.01 -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 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 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 -0.01 -0.01 0.01 -0.00 0.00 -0.00 0.00 -0.01 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.01 0.86 0.03 -0.04 0.27 -0.43 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 -0.01 -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 0.00 0.00 -0.00 -0.00 -0.00 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 -0.11 0.05 -0.08 0.02 -0.02 0.05 0.03 -0.06 0.88 -0.18 0.34 0.00 -0.00 0.00 -0.02 0.01 -0.01 -0.01 -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 -0.05 -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 0.01 0.01 -0.00 -0.00 -0.00 0.03 -0.05 0.01 -0.03 -0.11 -0.15 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 -0.01 0.00 0.01 0.02 -0.00 0.01 -0.05 0.02 -0.03 0.82 -0.27 0.49 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 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 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -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 -0.03 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 0.00 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 -0.05 -0.16 -0.52 0.83 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 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 -0.06 0.03 0.05 1.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -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="42">6 6 6 6 6 6 6 1 1 1 1 6 1 6 6 6 1 6 1 1 8 1 1 1 1 6 1 1 1 1 1 6 1 1 8 1 8 1 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="42">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</array>
<array dataType="xsd:integer" dictRef="x:elementType" size="42">6 6 6 6 6 6 6 1 1 1 1 6 1 6 6 6 1 6 1 1 8 1 1 1 1 6 1 1 1 1 1 6 1 1 8 1 8 1 6 1 1 1</array>
<array dataType="xsd:double" dictRef="cc:atomicmass" size="42">12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 1.00783 1.00783 1.00783 12.00000 1.00783 12.00000 12.00000 12.00000 1.00783 12.00000 1.00783 1.00783 15.99491 1.00783 1.00783 1.00783 1.00783 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 12.00000 1.00783 1.00783 15.99491 1.00783 15.99491 1.00783 12.00000 1.00783 1.00783 1.00783</array>
</list>
<scalar cmlx:templateRef="molmass" dataType="xsd:double" dictRef="cc:molmass">252.17254</scalar>
<array dataType="xsd:double" dictRef="cc:moi.eigenvalues" size="3">3218.99042 3957.74234 5876.58213</array>
<matrix cols="3" dataType="xsd:double" dictRef="cc:moi.eigenvectors" rows="3">0.99875 -0.05001 2.5E-4 0.05001 0.99871 -0.00829 1.7E-4 0.00829 0.99997</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">0.02691 0.02188 0.01474</array>
<array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.56065 0.45600 0.30711</array>
<scalar dataType="xsd:double" dictRef="cc:zpe" units="u:jmol-1">984041.3</scalar>
<array dataType="xsd:double" dictRef="cc:vibtemp" size="120">122.80 137.95 185.00 197.85 232.91 287.09 327.04 334.26 370.00 398.46 409.26 420.35 424.17 457.44 468.62 476.21 514.01 537.22 553.66 583.29 590.34 624.59 650.67 680.03 739.57 751.51 792.11 837.82 897.54 909.60 954.22 982.21 1008.77 1059.82 1108.89 1159.10 1220.61 1249.84 1267.63 1287.78 1315.53 1337.88 1350.48 1361.96 1371.19 1391.67 1416.75 1429.44 1443.63 1467.38 1481.93 1490.56 1511.88 1533.18 1551.08 1592.53 1606.72 1627.03 1635.12 1665.87 1689.65 1700.42 1713.44 1743.92 1763.07 1789.11 1798.07 1817.61 1837.15 1847.37 1866.10 1908.48 1916.71 1919.67 1936.08 1966.72 1974.09 1980.17 1998.89 2001.74 2026.13 2030.92 2037.35 2053.07 2060.05 2099.19 2145.58 2151.81 2153.63 2155.75 2158.54 2174.25 2196.19 2202.60 2216.67 2494.90 4302.93 4353.89 4371.14 4375.18 4378.96 4382.54 4385.23 4395.25 4403.46 4437.03 4438.51 4451.75 4452.74 4459.74 4464.73 4470.15 4470.63 4522.66 4538.16 4560.44 4568.37 5257.11 5463.54 5484.74</array>
</list>
</property>
<property dictRef="cc:zeropoint">
<list id="l716.zeropoint">
<scalar dataType="xsd:string" dictRef="cc:zpe.correction" units="nonsi:hartree">0.374802</scalar>
<scalar dataType="xsd:string" dictRef="cc:zpe.thermalcorrener" units="nonsi:hartree">0.391443</scalar>
<scalar dataType="xsd:string" dictRef="cc:zpe.thermalcorrenthalpy" units="nonsi:hartree">0.392387</scalar>
<scalar dataType="xsd:string" dictRef="cc:zpe.thermalcorrgfe" units="nonsi:hartree">0.333685</scalar>
<scalar dataType="xsd:string" dictRef="cc:zpe.sumelectzpe" units="nonsi:hartree">-811.417195</scalar>
<scalar dataType="xsd:string" dictRef="cc:zpe.sumelectthermal" units="nonsi:hartree">-811.400554</scalar>
<scalar dataType="xsd:string" dictRef="cc:zpe.sumelectthermalent" units="nonsi:hartree">-811.399610</scalar>
<scalar dataType="xsd:string" dictRef="cc:zpe.sumelectthermalfe" units="nonsi:hartree">-811.458312</scalar>
</list>
</property>
<property>
<module cmlx:templateRef="l716.thermoprops">
<list cmlx:templateRef="total">
<scalar dataType="xsd:double" dictRef="cc:ethermo.total">245.634</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.total">70.900</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.total">123.550</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">42.475</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">32.682</scalar>
</list>
<list cmlx:templateRef="vib">
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">243.857</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">64.938</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">48.393</scalar>
</list>
<list cmlx:templateRef="vibn">
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">1</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.601</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.959</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">3.764</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">2</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.603</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.952</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">3.536</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">3</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">2.967</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">4</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.614</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.916</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">2.838</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">5</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.622</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.889</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">2.528</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">6</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.638</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.841</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">2.137</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">7</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.651</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.799</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">1.900</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">8</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.653</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.792</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">1.861</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">9</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.667</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.751</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">1.681</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">10</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.678</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.716</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">1.552</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">11</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.683</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.703</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">1.507</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">12</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.688</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.688</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">1.461</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">13</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.689</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.683</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">1.446</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">14</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.704</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.639</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">1.321</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">15</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.710</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.624</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">1.281</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">16</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.713</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.614</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">1.255</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">17</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.732</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.560</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">1.134</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">18</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.745</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.527</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">1.066</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">19</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.754</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.503</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">1.020</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">20</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.770</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.458</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">0.943</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">21</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.774</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.448</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">0.926</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">22</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.795</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.396</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">0.845</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">23</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.811</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.356</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">0.789</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">24</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.830</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.311</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">0.730</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">25</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.869</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.219</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">0.624</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">26</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.877</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.201</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">0.605</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">27</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.906</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.138</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">0.543</scalar>
</list>
<list>
<scalar dataType="xsd:integer" dictRef="g:nvib">28</scalar>
<scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.939</scalar>
<scalar dataType="xsd:double" dictRef="cc:cv.vib">1.070</scalar>
<scalar dataType="xsd:double" dictRef="cc:s.vob">0.481</scalar>
</list>
</list>
<list cmlx:templateRef="totalv0">
<scalar dataType="xsd:double" dictRef="cc:q.v0">0.817519e+19</scalar>
<scalar dataType="xsd:double" dictRef="cc:logq.v0">18.912498</scalar>
<scalar dataType="xsd:double" dictRef="cc:lnq.v0">43.547636</scalar>
</list>
<list cmlx:templateRef="vibv0">
<scalar dataType="xsd:double" dictRef="cc:q.vibv0">0.167689e+05</scalar>
<scalar dataType="xsd:double" dictRef="cc:logq.vibv0">4.224506</scalar>
<scalar dataType="xsd:double" dictRef="cc:lnq.vibv0">9.727284</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">0.157398e+09</scalar>
<scalar dataType="xsd:double" dictRef="cc:logq.trans">8.197001</scalar>
<scalar dataType="xsd:double" dictRef="cc:lnq.trans">18.874291</scalar>
</list>
<list cmlx:templateRef="rot">
<scalar dataType="xsd:double" dictRef="cc:q.rot">0.309736e+07</scalar>
<scalar dataType="xsd:double" dictRef="cc:logq.rot">6.490992</scalar>
<scalar dataType="xsd:double" dictRef="cc:lnq.rot">14.946061</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">-1.9570 4.5895 1.8439</array>
<scalar dataType="xsd:double" dictRef="x:dipole">5.3191</scalar>
<array dataType="xsd:double" dictRef="cc:quadrupole" size="3">-125.2001 -125.8424 -105.2957</array>
<array dataType="xsd:double" dictRef="cc:quadrupole" size="3">-4.4221 6.5294 -2.7186</array>
<array dataType="xsd:double" dictRef="cc:quadrupole" size="6">-6.4207 -7.0630 13.4837 -4.4221 6.5294 -2.7186</array>
<array dataType="xsd:double" dictRef="cc:octapole" size="10">-58.5469 54.9970 -12.8694 4.3699 0.3067 29.5972 1.6065 -9.3646 10.2344 5.5422</array>
<array dataType="xsd:double" dictRef="cc:hexadecapole" size="15">-2886.0090 -2353.7882 -648.4688 -46.3701 121.0337 -14.0587 -19.8344 28.5367 15.3387 -793.6619 -498.4787 -457.6759 8.6086 7.9886 29.5312</array>
</list>
</property>
<property dictRef="cc:virtualorbs">
<array dataType="xsd:string" delimiter="|" size="393">(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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="69">(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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">-811.7919967</scalar>
<scalar dataType="xsd:double" dictRef="cc:rmsd" units="nonsi:unknown">5.936E-9</scalar>
<scalar dataType="xsd:double" dictRef="cc:rmsf" units="nonsi:unknown">4.012E-6</scalar>
<scalar dataType="xsd:string" dictRef="x:ZeroPoint">0.3748015</scalar>
<scalar dataType="xsd:string" dictRef="x:Thermal">0.391443</scalar>
<scalar dataType="xsd:string" dictRef="x:ETot">-811.4005537</scalar>
<scalar dataType="xsd:string" dictRef="x:HTot">-811.3996095</scalar>
<scalar dataType="xsd:string" dictRef="x:GTot">-811.4583122</scalar>
<scalar dataType="xsd:string" dictRef="x:Quadrupole">-4.639444,-5.4056147,10.0450587,-3.2625646,4.883747,-1.8894611</scalar>
<scalar dataType="xsd:string" dictRef="cc:pointgroup">C01 [X(C15H24O3)]</scalar>
<array dataType="xsd:double" dictRef="cc:dipole" size="3" units="nonsi:debye">-0.8114571 1.7890512 0.7212317</array>
<array dataType="xsd:double" dictRef="cc:dipolederiv" size="378" units="nonsi:unknown">0.1000838 -0.0556757 -0.0218355 -0.0451998 0.0349924 0.0761846 0.0510938 0.0337986 0.1146163 0.0636248 0.005967 -0.0570073 -0.0103888 0.0660672 -0.022818 -0.028934 -0.038095 0.211451 -0.0446409 -0.0929208 -0.0224647 0.0093711 -0.1622635 -0.0653292 -0.0277533 0.0029296 -0.0663159 -0.0007644 0.0555263 -0.0295285 0.141947 0.1838326 -0.0318343 -0.0705278 -0.0777745 0.0476525 0.5628943 0.0323547 0.1735353 0.1767666 0.7650733 0.2327472 0.2527946 0.3913224 0.755874 0.4104088 0.063407 0.0344183 0.0087056 0.0308809 -0.0073692 0.0007489 0.0124485 -0.2511237 -0.0292956 0.0386908 -0.0664123 -0.1789302 -0.111638 -0.1205061 -0.0067855 -0.0201179 -0.3745316 -0.0342273 0.1289417 0.1375565 0.0771947 -0.0291812 -0.0576216 0.0973494 -0.05737 -0.0709668 -0.1953959 -0.1670203 -0.1047286 -0.0760601 -0.0225933 -0.01912 -0.0735648 0.0003293 0.0469618 -0.019406 -0.0108182 0.1161439 0.0030455 -0.0098415 0.0912507 0.0800474 0.0612234 -0.2048907 -0.0242963 -0.0447508 0.0502456 -0.1039216 -0.1071516 0.0898776 0.0582348 0.0355064 -0.0909373 0.043849 -0.0182858 0.0216685 -0.0435262 0.0026884 -0.0029837 -0.0486252 0.0503127 0.1305756 -0.1129334 0.0251312 -0.1962036 0.0112838 0.0078795 -0.0548709 -0.1262323 -0.0255213 -0.0667811 0.0851789 0.0164098 0.0060326 -0.0118645 0.0510211 0.0330203 0.0178872 0.0116879 0.0789804 0.0087805 -0.03226 -0.0799627 -0.1083231 0.0719209 0.0641402 0.0287521 0.0673788 0.0459002 0.0253592 0.0575066 0.0775516 0.0306087 0.1300518 -0.0425834 0.0260747 -0.0061302 0.0296642 0.0115864 0.0702342 -0.0159961 0.0981625 -0.1562044 0.1522771 0.0067417 0.081674 -0.0082217 0.3278756 0.1646472 0.0075685 0.1183203 0.7698407 0.2521125 -0.0110317 0.3301102 0.7407997 -0.0923068 -0.0915562 0.2071108 -0.0565666 -0.0445019 0.0032091 0.120771 0.0094653 -0.1848603 -0.114214 0.0860268 -0.1083441 0.0812597 0.0303327 -0.0035368 -0.0681751 -0.0205607 0.0273347 -0.662002 -0.135911 -0.1140453 -0.1116143 -1.128354 -0.2430405 -0.094003 -0.2788835 -0.9255972 0.4726151 -0.1082858 0.0575088 -0.0594044 0.575932 -0.0323937 0.0654963 -0.0739675 0.3420467 -0.1009361 -0.1010903 -0.1043385 -0.1739735 -0.0964933 -0.1407652 -0.0490335 -0.0638716 -0.0026384 0.0185413 0.0198247 -0.0046075 0.0356772 -0.0407598 -0.1211722 -0.0166443 -0.0931019 -0.1234913 -0.0735794 -0.0983751 0.1612701 -0.0745839 -0.0417107 0.0932741 0.1279788 0.0503927 -0.0005824 0.1262816 -0.0189402 -0.0042089 0.0053526 0.0732346 0.0224349 0.0036956 0.0275961 0.1512738 0.036156 0.0888611 0.0882502 0.0425804 -0.0817422 -0.0763049 0.0837715 -0.1623221 -0.0708372 -0.2147868 -0.0933636 0.0169985 -0.0046429 0.0447583 0.0081166 -0.0012056 0.007869 0.0724608 0.0389536 0.0479162 -0.1069883 0.0078166 -0.0011906 0.0465044 -0.0912999 0.1297262 -0.1501275 -0.1963295 -0.0036662 0.0094308 0.005656 0.0179543 0.0254621 0.0146388 0.0437405 0.1758278 -0.0368483 0.0916155 -0.0010985 0.121102 -0.1083332 0.0183378 0.0004491 0.0170949 0.1870536 1.0897972 0.0822778 0.1243531 0.0631867 0.3974247 -0.0359759 0.205075 -0.0140276 0.4275332 -0.0085952 -0.0146069 0.0239555 -0.0061033 0.06123 -0.0043473 0.0048471 0.0369343 -0.2004496 -0.0599848 0.0644019 -0.0168891 0.1209697 -0.1864373 -0.0330179 0.0309838 -0.0861788 0.0123635 -1.3241226 -0.1279726 -0.1714428 -0.1191821 -0.6862998 0.0193797 -0.3283098 0.017138 -0.4324041 0.3830076 0.0569312 0.0891036 0.0739936 0.4167466 0.005348 0.026406 -0.0152413 0.1690308 -0.8879751 0.0486146 -0.2676804 -0.043914 -1.0152013 -0.2621367 -0.344675 -0.4952042 -0.829513 0.4085879 -0.0537986 0.0891835 -0.0170172 0.2878356 0.1063177 0.0634607 0.0775732 0.3034503 0.0735223 -0.0016158 0.0182623 0.0083374 -0.0159046 -0.0055044 0.0161919 0.0072624 0.1448627 0.0356234 0.035966 0.0557171 0.0162047 0.0545 0.0381514 0.1163637 -0.0409086 -0.2241281 -0.1435657 0.0944365 -0.0865616 0.0563734 0.0652894 -0.0154029 -0.1353137 0.0190606 -0.0032931 0.0534787 -0.104775 0.0144791 -0.0686993 -0.0936849 0.020489 0.0222603 0.0467019 0.0659775</array>
<array dataType="xsd:double" delimiter="|" dictRef="cc:polarizability" size="6" units="nonsi:unknown">244.8102163|3.9440333|251.2023668|0.4839496|-0.997736|216.01884</array>
</module>
</module>
<molecule formalCharge="0" id="mol9999" spinMultiplicity="1">
<atomArray>
<atom elementType="C" id="a1" x3="-0.24537064" y3="1.54980926" z3="1.31205813">
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.42" size="3">0.000001119 0.000008740 0.000000730</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.43" size="3">-0.000001360 -0.000000735 0.000003932</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.44" size="3">0.000004879 0.000004384 0.000000207</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.45" size="3">-0.000000939 0.000001247 -0.000001903</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.46" size="3">-0.000004775 -0.000012013 -0.000013712</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.47" size="3">-0.000003993 0.000000578 -0.000001315</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.48" size="3">0.000001566 0.000005898 0.000004737</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.49" size="3">0.000002531 0.000002721 -0.000002062</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.50" size="3">-0.000000440 0.000001474 -0.000003239</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.51" size="3">0.000000993 0.000003457 -0.000000006</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.52" size="3">0.000002267 0.000002735 0.000005255</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.53" size="3">0.000000085 -0.000002378 -0.000001054</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.54" size="3">0.000000482 -0.000003965 0.000001034</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.55" size="3">0.000002086 0.000002673 0.000002630</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.56" size="3">-0.000000512 -0.000006445 0.000003589</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.57" size="3">-0.000000131 -0.000002977 -0.000004015</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.58" size="3">0.000000060 -0.000001126 -0.000000655</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.59" size="3">0.000004313 -0.000002829 0.000006606</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.60" size="3">0.000001117 0.000004163 0.000002980</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.61" size="3">0.000003045 0.000001970 0.000004299</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.62" size="3">-0.000006216 0.000010891 -0.000005437</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.63" size="3">0.000000119 -0.000004389 0.000009292</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.64" size="3">0.000000004 -0.000000397 -0.000002789</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.65" size="3">-0.000000726 -0.000002355 0.000000026</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.66" size="3">0.000000772 -0.000000312 -0.000002159</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.67" size="3">0.000001635 0.000000053 -0.000003298</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.68" size="3">0.000001314 -0.000000261 -0.000003859</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.69" size="3">-0.000001017 -0.000000430 -0.000004205</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.70" size="3">-0.000000301 -0.000001895 -0.000002598</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.71" size="3">0.000000732 0.000000750 0.000003171</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.72" size="3">0.000000156 -0.000000424 0.000000834</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.73" size="3">-0.000001377 0.000005736 -0.000008516</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.74" size="3">-0.000002446 -0.000003796 -0.000001729</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.75" size="3">-0.000002428 -0.000002921 -0.000002557</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.76" size="3">0.000004027 -0.000003680 -0.000003093</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.77" size="3">-0.000001613 0.000002789 -0.000005430</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.78" size="3">0.000002390 0.000002279 0.000016175</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.79" size="3">0.000001804 -0.000003751 0.000005569</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.80" size="3">-0.000005272 0.000004185 -0.000007214</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.81" size="3">-0.000003120 -0.000002826 0.000004226</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.82" size="3">-0.000000661 -0.000001971 0.000001854</array>
</property>
<property dictRef="cc:force">
<array dataType="xsd:double" id="a1.83" size="3">-0.000000170 -0.000004849 0.000003701</array>
</property>
</atom>
<atom elementType="C" id="a2" x3="-0.03213065" y3="0.01965501" z3="1.54202512"/>
<atom elementType="C" id="a3" x3="-0.6565114" y3="-0.85284005" z3="0.40588055"/>
<atom elementType="C" id="a4" x3="-0.78546449" y3="1.94650567" z3="-0.0990194"/>
<atom elementType="C" id="a5" x3="-2.20441235" y3="-0.72480125" z3="0.20511769"/>
<atom elementType="C" id="a6" x3="-2.29170903" y3="1.78718124" z3="-0.04627517"/>
<atom elementType="C" id="a7" x3="-2.89268685" y3="0.60680369" z3="0.10701634"/>
<atom elementType="H" id="a8" x3="-0.93873437" y3="1.95034646" z3="2.05784482"/>
<atom elementType="H" id="a9" x3="0.70577756" y3="2.06502616" z3="1.48456025"/>
<atom elementType="H" id="a10" x3="-0.4065952" y3="-0.26457853" z3="2.53180069"/>
<atom elementType="H" id="a11" x3="-2.65963753" y3="-1.24786908" z3="1.05398975"/>
<atom elementType="C" id="a12" x3="-0.22062568" y3="1.02942526" z3="-1.23797576"/>
<atom elementType="H" id="a13" x3="-1.00839096" y3="0.90170473" z3="-1.98745797"/>
<atom elementType="C" id="a14" x3="0.25350025" y3="-0.36796378" z3="-0.76785521"/>
<atom elementType="C" id="a15" x3="1.71673672" y3="-0.39321959" z3="-0.1571428"/>
<atom elementType="C" id="a16" x3="1.47618034" y3="-0.30056205" z3="1.38840244"/>
<atom elementType="H" id="a17" x3="1.75017728" y3="-1.23244762" z3="1.88910279"/>
<atom elementType="C" id="a18" x3="-0.45400074" y3="-2.36365386" z3="0.75224131"/>
<atom elementType="H" id="a19" x3="-1.17004685" y3="-2.62653447" z3="1.54588832"/>
<atom elementType="H" id="a20" x3="0.53540974" y3="-2.56274897" z3="1.15343077"/>
<atom elementType="O" id="a21" x3="-0.60116475" y3="-3.24884558" z3="-0.36019245"/>
<atom elementType="H" id="a22" x3="-1.41326961" y3="-2.96888669" z3="-0.82052348"/>
<atom elementType="H" id="a23" x3="2.08228875" y3="0.47824979" z3="1.86474008"/>
<atom elementType="H" id="a24" x3="0.21265228" y3="-1.05322778" z3="-1.61900462"/>
<atom elementType="H" id="a25" x3="0.58243283" y3="1.54620469" z3="-1.76786605"/>
<atom elementType="C" id="a26" x3="-0.44459369" y3="3.41809265" z3="-0.38751559"/>
<atom elementType="H" id="a27" x3="-0.85522081" y3="4.07457758" z3="0.38863937"/>
<atom elementType="H" id="a28" x3="0.63884059" y3="3.57194139" z3="-0.42132815"/>
<atom elementType="H" id="a29" x3="-0.8617515" y3="3.73164107" z3="-1.35159386"/>
<atom elementType="H" id="a30" x3="-3.97832968" y3="0.54618979" z3="0.15286322"/>
<atom elementType="H" id="a31" x3="-2.89725995" y3="2.69121714" z3="-0.10128299"/>
<atom elementType="C" id="a32" x3="2.58928685" y3="0.79256386" z3="-0.63052651"/>
<atom elementType="H" id="a33" x3="2.65323165" y3="0.80194509" z3="-1.72316016"/>
<atom elementType="H" id="a34" x3="2.16589584" y3="1.7493379" z3="-0.30652518"/>
<atom elementType="O" id="a35" x3="3.95087256" y3="0.70584851" z3="-0.18339912"/>
<atom elementType="H" id="a36" x3="3.96698892" y3="0.75399237" z3="0.78247372"/>
<atom elementType="O" id="a37" x3="-2.63075635" y3="-1.53999471" z3="-0.93785085"/>
<atom elementType="H" id="a38" x3="-2.48097852" y3="-1.02527248" z3="-1.74461114"/>
<atom elementType="C" id="a39" x3="2.45136148" y3="-1.68584291" z3="-0.57309455"/>
<atom elementType="H" id="a40" x3="2.70545924" y3="-1.64772389" z3="-1.63927274"/>
<atom elementType="H" id="a41" x3="3.383468" y3="-1.79866364" z3="-0.01253525"/>
<atom elementType="H" id="a42" x3="1.83981874" y3="-2.57494539" z3="-0.41745435"/>
</atomArray>
<bondArray/>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">228.1587</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/15C.3O.24H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;2;3;4;5;6;7;12;14;15;16;18;26;32;39;21;35;37;8;9;10;11;13;17;19;20;22;23;24;25;27;28;29;30;31;33;34;36;38;40;41;42/rA:42nC0C0C0C0C0C0C0H0H0H0H0C0H0C0C0C0H0C0H0H0O0H0H0H0H0C0H0H0H0H0H0C0H0H0O0H0O0H0C0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2454,1.5498,1.3121;-.0321,.0197,1.542;-.6565,-.8528,.4059;-.7855,1.9465,-.099;-2.2044,-.7248,.2051;-2.2917,1.7872,-.0463;-2.8927,.6068,.107;-.9387,1.9503,2.0578;.7058,2.065,1.4846;-.4066,-.2646,2.5318;-2.6596,-1.2479,1.054;-.2206,1.0294,-1.238;-1.0084,.9017,-1.9875;.2535,-.368,-.7679;1.7167,-.3932,-.1571;1.4762,-.3006,1.3884;1.7502,-1.2324,1.8891;-.454,-2.3637,.7522;-1.17,-2.6265,1.5459;.5354,-2.5627,1.1534;-.6012,-3.2488,-.3602;-1.4133,-2.9689,-.8205;2.0823,.4782,1.8647;.2127,-1.0532,-1.619;.5824,1.5462,-1.7679;-.4446,3.4181,-.3875;-.8552,4.0746,.3886;.6388,3.5719,-.4213;-.8618,3.7316,-1.3516;-3.9783,.5462,.1529;-2.8973,2.6912,-.1013;2.5893,.7926,-.6305;2.6532,.8019,-1.7232;2.1659,1.7493,-.3065;3.9509,.7058,-.1834;3.967,.754,.7825;-2.6308,-1.54,-.9379;-2.481,-1.0253,-1.7446;2.4514,-1.6858,-.5731;2.7055,-1.6477,-1.6393;3.3835,-1.7987,-.0125;1.8398,-2.5749,-.4175;</scalar>
</formula>
</molecule>
</module>
</module>
</module>
</module>
