<?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:convention="http://www.xml-cml.org/convention/" xmlns:nonsi="http://www.xml-cml.org/unit/nonSi/" xmlns:nonsi2="http://www.iochem-bd.org/unit/nonSi2/" xmlns:o="http://www.iochem-bd.org/dictionary/orca/" 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="orca.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">Orca</scalar>
               </parameter>
               <parameter dictRef="cc:programVersion">
                  <scalar dataType="xsd:string" id="copy.0">5.0.4</scalar>
               </parameter>
               <parameter dictRef="cc:programSubversion">
                  <scalar dataType="xsd:string" id="copy.1">RELEASE</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <parameterList>
               <module cmlx:templateRef="basis">
                  <list cmlx:templateRef="group">
                     <array dataType="xsd:integer" dictRef="o:group" size="4">1 2 3 4</array>
                     <array dataType="xsd:string" dictRef="o:primitive" size="4">15s8p3d2f1g 15s8p3d2f1g 20s14p4d2f1g 7s3p2d1f</array>
                     <array dataType="xsd:string" dictRef="o:contraction" size="4">7s4p3d2f1g 7s4p3d2f1g 9s6p4d2f1g 4s3p2d1f</array>
                  </list>
                  <list dictRef="atombasis">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="43">0 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="43">N C C C C Si N C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H H H H H H</array>
                     <array dataType="xsd:integer" dictRef="o:group" size="43">1 2 2 2 2 3 1 2 2 2 2 2 2 2 2 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4</array>
                  </list>
               </module>
            </parameterList>
            <molecule id="molecule">
               <atomArray>
                  <atom elementType="N" id="a1" x3="1.956113" y3="0.237174" z3="-0.83132"/>
                  <atom elementType="C" id="a2" x3="3.065219" y3="0.016874" z3="0.149738"/>
                  <atom elementType="C" id="a3" x3="4.000788" y3="1.218346" z3="0.137036"/>
                  <atom elementType="C" id="a4" x3="3.794929" y3="-1.278021" z3="-0.173628"/>
                  <atom elementType="C" id="a5" x3="2.314582" y3="-0.068865" z3="1.475853"/>
                  <atom elementType="Si" id="a6" x3="0.486029" y3="-0.138603" z3="-0.223687"/>
                  <atom elementType="N" id="a7" x3="-1.133861" y3="0.04071" z3="-0.094874"/>
                  <atom elementType="C" id="a8" x3="-1.794333" y3="1.369253" z3="0.171373"/>
                  <atom elementType="C" id="a9" x3="-2.847823" y3="1.254695" z3="1.26332"/>
                  <atom elementType="C" id="a10" x3="-2.397987" y3="1.906464" z3="-1.124785"/>
                  <atom elementType="C" id="a11" x3="-0.672148" y3="2.294408" z3="0.63399"/>
                  <atom elementType="C" id="a12" x3="-1.746014" y3="-1.327746" z3="-0.239503"/>
                  <atom elementType="C" id="a13" x3="-0.567341" y3="-2.140222" z3="-0.776389"/>
                  <atom elementType="C" id="a14" x3="-2.868464" y3="-1.34258" z3="-1.270755"/>
                  <atom elementType="C" id="a15" x3="-2.193409" y3="-1.898386" z3="1.100873"/>
                  <atom elementType="H" id="a16" x3="2.174424" y3="0.499293" z3="-1.787554"/>
                  <atom elementType="H" id="a17" x3="4.525404" y3="1.289527" z3="-0.81563"/>
                  <atom elementType="H" id="a18" x3="4.758868" y3="1.104981" z3="0.911462"/>
                  <atom elementType="H" id="a19" x3="3.471057" y3="2.153946" z3="0.312991"/>
                  <atom elementType="H" id="a20" x3="4.239307" y3="-1.243208" z3="-1.168001"/>
                  <atom elementType="H" id="a21" x3="4.605006" y3="-1.440299" z3="0.536575"/>
                  <atom elementType="H" id="a22" x3="3.136201" y3="-2.148276" z3="-0.12983"/>
                  <atom elementType="H" id="a23" x3="1.379663" y3="-0.732062" z3="1.391703"/>
                  <atom elementType="H" id="a24" x3="2.838924" y3="-0.608812" z3="2.267122"/>
                  <atom elementType="H" id="a25" x3="1.99943" y3="0.900406" z3="1.86651"/>
                  <atom elementType="H" id="a26" x3="-3.70449" y3="0.657207" z3="0.956308"/>
                  <atom elementType="H" id="a27" x3="-2.446991" y3="0.854189" z3="2.194101"/>
                  <atom elementType="H" id="a28" x3="-3.230306" y3="2.252344" z3="1.477713"/>
                  <atom elementType="H" id="a29" x3="-1.663229" y3="1.957572" z3="-1.929475"/>
                  <atom elementType="H" id="a30" x3="-3.247569" y3="1.322505" z3="-1.469226"/>
                  <atom elementType="H" id="a31" x3="-2.762967" y3="2.918992" z3="-0.952935"/>
                  <atom elementType="H" id="a32" x3="0.098611" y3="2.446889" z3="-0.134448"/>
                  <atom elementType="H" id="a33" x3="-0.220628" y3="1.957453" z3="1.57337"/>
                  <atom elementType="H" id="a34" x3="-1.057585" y3="3.294544" z3="0.834102"/>
                  <atom elementType="H" id="a35" x3="0.350445" y3="-2.063096" z3="-0.102502"/>
                  <atom elementType="H" id="a36" x3="-0.302942" y3="-1.925915" z3="-1.818624"/>
                  <atom elementType="H" id="a37" x3="-0.696884" y3="-3.224382" z3="-0.704865"/>
                  <atom elementType="H" id="a38" x3="-3.748833" y3="-0.818053" z3="-0.90566"/>
                  <atom elementType="H" id="a39" x3="-2.565949" y3="-0.903222" z3="-2.22027"/>
                  <atom elementType="H" id="a40" x3="-3.171696" y3="-2.372987" z3="-1.456523"/>
                  <atom elementType="H" id="a41" x3="-2.495724" y3="-2.937759" z3="0.971841"/>
                  <atom elementType="H" id="a42" x3="-3.050105" y3="-1.369222" z3="1.505519"/>
                  <atom elementType="H" id="a43" x3="-1.397025" y3="-1.872369" z3="1.847367"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a2" order="S"/>
                  <bond atomRefs2="a1 a16" order="S"/>
                  <bond atomRefs2="a1 a6" order="S"/>
                  <bond atomRefs2="a2 a5" order="S"/>
                  <bond atomRefs2="a2 a3" order="S"/>
                  <bond atomRefs2="a2 a4" order="S"/>
                  <bond atomRefs2="a3 a17" order="S"/>
                  <bond atomRefs2="a3 a19" order="S"/>
                  <bond atomRefs2="a3 a18" order="S"/>
                  <bond atomRefs2="a4 a22" order="S"/>
                  <bond atomRefs2="a4 a20" order="S"/>
                  <bond atomRefs2="a4 a21" order="S"/>
                  <bond atomRefs2="a5 a25" order="S"/>
                  <bond atomRefs2="a5 a24" order="S"/>
                  <bond atomRefs2="a5 a23" order="S"/>
                  <bond atomRefs2="a6 a7" order="S"/>
                  <bond atomRefs2="a7 a8" order="S"/>
                  <bond atomRefs2="a7 a12" order="S"/>
                  <bond atomRefs2="a8 a11" order="S"/>
                  <bond atomRefs2="a8 a10" order="S"/>
                  <bond atomRefs2="a8 a9" order="S"/>
                  <bond atomRefs2="a9 a27" order="S"/>
                  <bond atomRefs2="a9 a28" order="S"/>
                  <bond atomRefs2="a9 a26" order="S"/>
                  <bond atomRefs2="a10 a29" order="S"/>
                  <bond atomRefs2="a10 a31" order="S"/>
                  <bond atomRefs2="a10 a30" order="S"/>
                  <bond atomRefs2="a11 a33" order="S"/>
                  <bond atomRefs2="a11 a32" order="S"/>
                  <bond atomRefs2="a11 a34" order="S"/>
                  <bond atomRefs2="a12 a15" order="S"/>
                  <bond atomRefs2="a12 a14" order="S"/>
                  <bond atomRefs2="a12 a13" order="S"/>
                  <bond atomRefs2="a13 a36" order="S"/>
                  <bond atomRefs2="a13 a35" order="S"/>
                  <bond atomRefs2="a13 a37" order="S"/>
                  <bond atomRefs2="a14 a39" order="S"/>
                  <bond atomRefs2="a14 a38" order="S"/>
                  <bond atomRefs2="a14 a40" order="S"/>
                  <bond atomRefs2="a15 a43" order="S"/>
                  <bond atomRefs2="a15 a42" order="S"/>
                  <bond atomRefs2="a15 a41" order="S"/>
               </bondArray>
               <formula concise="C12H28N2Si">
                  <atomArray count="12 28 2 1" elementType="C H N Si"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">200.2272999999999</scalar>
               </property>
            <formula convention="iupac:inchi" inline="InChI=1/C12H28N2Si/c1-10(2,3)13-15-14(11(4,5)6)12(7,8)9/h13H,1-9H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:3,4,5,9,10,11,13,14,15,2,8,12,1,7,6/E:(1,2,3)(4,5,6,7,8,9)(11,12)/CRV:15.2/rA:43nNCCCCSi2NCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:s1;s2;s2;s2;s1;s6;s7;s8;s8;s8;s7;s12;s12;s12;s1;s3;s3;s3;s4;s4;s4;s5;s5;s5;s9;s9;s9;s10;s10;s10;s11;s11;s11;s13;s13;s13;s14;s14;s14;s15;s15;s15;/rC:1.9561,.2372,-.8313;3.0652,.0169,.1497;4.0008,1.2183,.137;3.7949,-1.278,-.1736;2.3146,-.0689,1.4759;.486,-.1386,-.2237;-1.1339,.0407,-.0949;-1.7943,1.3693,.1714;-2.8478,1.2547,1.2633;-2.398,1.9065,-1.1248;-.6721,2.2944,.634;-1.746,-1.3277,-.2395;-.5673,-2.1402,-.7764;-2.8685,-1.3426,-1.2708;-2.1934,-1.8984,1.1009;2.1744,.4993,-1.7876;4.5254,1.2895,-.8156;4.7589,1.105,.9115;3.4711,2.1539,.313;4.2393,-1.2432,-1.168;4.605,-1.4403,.5366;3.1362,-2.1483,-.1298;1.3797,-.7321,1.3917;2.8389,-.6088,2.2671;1.9994,.9004,1.8665;-3.7045,.6572,.9563;-2.447,.8542,2.1941;-3.2303,2.2523,1.4777;-1.6632,1.9576,-1.9295;-3.2476,1.3225,-1.4692;-2.763,2.919,-.9529;.0986,2.4469,-.1344;-.2206,1.9575,1.5734;-1.0576,3.2945,.8341;.3504,-2.0631,-.1025;-.3029,-1.9259,-1.8186;-.6969,-3.2244,-.7049;-3.7488,-.8181,-.9057;-2.5659,-.9032,-2.2203;-3.1717,-2.373,-1.4565;-2.4957,-2.9378,.9718;-3.0501,-1.3692,1.5055;-1.397,-1.8724,1.8474;</scalar>
</formula>
</molecule>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="scfsettings" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="section" name="Hamiltonian">
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Method</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">DFT(GTOs)</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Exchange</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">B88</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">XAlpha</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.666667</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">XBeta</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.004200</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Correlation</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">LYP</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">LDAOpt</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">VWN-5</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">PostSCFGGA</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">off</scalar>
                     </list>
                     <scalar dataType="xsd:string" dictRef="o:comment">Hybrid DFT is turned on</scalar>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">ScalHFX</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.690000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">ScalDFX</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.310000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">ScalDFC</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.540000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">ScalLDAC</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.540000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Perturbative correction</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.000000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Density functional embedding theory</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">OFF</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">NL short-range parameter</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">12.000000</scalar>
                     </list>
                     <scalar dataType="xsd:string" dictRef="o:comment">RI-approximation to the Coulomb term is turned on</scalar>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">functions</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1045</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">RIJ-COSX (HFX calculated with COS-X))</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">on</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="section" name="General Settings">
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">IntName</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">C12H28N2Si_sp_orca</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">HFTyp</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">RHF</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Charge</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">2</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Mult</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">NEL</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">126</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Dim</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1708</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">ENuc</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1298.0208924260 Eh</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="section" name="Convergence Acceleration">
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">CNVDIIS</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">on</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">DIISMaxIt</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">12</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">DIISStart</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.200000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">DIISMaxEq</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">5</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">DIISBfac</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.050</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">DIISMaxC</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">10.000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">CNVTRAH</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">auto</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Auto Start mean grad. ratio tolernc.</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.125000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Auto Start start iteration</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">20</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Auto Start num. interpolation iter.</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">10</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">iterations</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">16</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">iterations</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">Maxiter - #DIIS iter</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Number of Davidson start vectors</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">2</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Converg. threshold I  (grad. norm)</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.000e-05</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Converg. threshold II (energy diff.)</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.000e-08</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Micro threshold</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.100</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Minimum threshold for Micro iter.</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.010</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">NR start threshold (gradient norm)</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.001</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Initial trust radius</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.400</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Minimum AH scaling param. (alpha)</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Maximum AH scaling param. (alpha)</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1000.000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Orbital update algorithm</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">Taylor</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">David. guess</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">on</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Maximum white noise</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.010</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Quad. conv. algorithm</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">NR</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">CNVSOSCF</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">on</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">SOSCFMaxIt</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">150</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">SOSCFStart</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.003300</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">CNVShift</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">on</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">LevelShift</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.2500</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">ShiftErr</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.0010</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">CNVZerner</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">off</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">CNVDamp</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">on</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">DampFac</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.7000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">DampMax</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.9800</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">DampMin</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.0000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">DampErr</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.1000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">CNVRico</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">off</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="section" name="SCF Procedure">
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">MaxIter</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">250</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">SCFMode</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">Direct</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Integral package</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">SHARK and LIBINT hybrid scheme</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">DirectResetFreq</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">20</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Thresh</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">2.500e-11 Eh</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">TCut</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">2.500e-12 Eh</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="section" name="Convergence Tolerance">
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">ConvCheckMode</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">Total+1el-Energy</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">ConvForced</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">TolE</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.000e-08 Eh</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">1-El. energy change</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.000e-05 Eh</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">TolG</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.000e-05</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">TolX</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.000e-05</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">TolErr</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">5.000e-07</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="section" name="Diagonalization of the overlap matrix">
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Smallest eigenvalue</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">6.910e-06</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Time for diagonalization</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.413 sec</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Threshold for overlap eigenvalues</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.000e-08</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Number of eigenvalues below threshold</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Time for construction of square roots</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.382 sec</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Total time needed</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.807 sec</scalar>
                     </list>
                  </module>
               </module>
               <module cmlx:templateRef="input" id="initialization">
                  <module cmlx:templateRef="job">
                     <molecule id="initial">
                        <atomArray>
                           <atom elementType="N" id="a1" x3="1.95611318" y3="0.23717435" z3="-0.8313205">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">7</scalar>
                           </atom>
                           <atom elementType="C" id="a2" x3="3.06521872" y3="0.01687376" z3="0.14973828">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                           </atom>
                           <atom elementType="C" id="a3" x3="4.00078791" y3="1.21834576" z3="0.13703598">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                           </atom>
                           <atom elementType="C" id="a4" x3="3.79492856" y3="-1.27802144" z3="-0.1736278">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                           </atom>
                           <atom elementType="C" id="a5" x3="2.31458186" y3="-0.06886487" z3="1.47585314">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                           </atom>
                           <atom elementType="Si" id="a6" x3="0.48602858" y3="-0.13860273" z3="-0.22368674">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">14</scalar>
                           </atom>
                           <atom elementType="N" id="a7" x3="-1.13386065" y3="0.04071022" z3="-0.09487387">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">7</scalar>
                           </atom>
                           <atom elementType="C" id="a8" x3="-1.79433328" y3="1.36925311" z3="0.1713732">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                           </atom>
                           <atom elementType="C" id="a9" x3="-2.84782301" y3="1.25469531" z3="1.26332036">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                           </atom>
                           <atom elementType="C" id="a10" x3="-2.39798668" y3="1.90646436" z3="-1.12478509">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                           </atom>
                           <atom elementType="C" id="a11" x3="-0.67214773" y3="2.29440819" z3="0.63399024">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                           </atom>
                           <atom elementType="C" id="a12" x3="-1.7460137" y3="-1.32774603" z3="-0.23950322">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                           </atom>
                           <atom elementType="C" id="a13" x3="-0.56734066" y3="-2.14022215" z3="-0.77638854">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                           </atom>
                           <atom elementType="C" id="a14" x3="-2.86846382" y3="-1.34257993" z3="-1.27075479">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                           </atom>
                           <atom elementType="C" id="a15" x3="-2.19340869" y3="-1.8983859" z3="1.10087333">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                           </atom>
                           <atom elementType="H" id="a16" x3="2.1744235" y3="0.49929318" z3="-1.78755353">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                           </atom>
                           <atom elementType="H" id="a17" x3="4.52540447" y3="1.28952726" z3="-0.81563033">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                           </atom>
                           <atom elementType="H" id="a18" x3="4.75886793" y3="1.10498114" z3="0.91146173">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                           </atom>
                           <atom elementType="H" id="a19" x3="3.47105712" y3="2.15394607" z3="0.31299143">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                           </atom>
                           <atom elementType="H" id="a20" x3="4.23930668" y3="-1.24320831" z3="-1.16800059">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                           </atom>
                           <atom elementType="H" id="a21" x3="4.60500604" y3="-1.44029859" z3="0.5365746">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                           </atom>
                           <atom elementType="H" id="a22" x3="3.13620095" y3="-2.14827569" z3="-0.12983021">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                           </atom>
                           <atom elementType="H" id="a23" x3="1.37966321" y3="-0.73206173" z3="1.39170312">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                           </atom>
                           <atom elementType="H" id="a24" x3="2.83892405" y3="-0.60881213" z3="2.2671217">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                           </atom>
                           <atom elementType="H" id="a25" x3="1.99943" y3="0.90040646" z3="1.8665101">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                           </atom>
                           <atom elementType="H" id="a26" x3="-3.70449029" y3="0.65720705" z3="0.95630794">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                           </atom>
                           <atom elementType="H" id="a27" x3="-2.44699063" y3="0.85418947" z3="2.19410103">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                           </atom>
                           <atom elementType="H" id="a28" x3="-3.23030593" y3="2.25234408" z3="1.4777128">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                           </atom>
                           <atom elementType="H" id="a29" x3="-1.66322885" y3="1.95757202" z3="-1.92947537">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                           </atom>
                           <atom elementType="H" id="a30" x3="-3.24756913" y3="1.32250526" z3="-1.46922605">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                           </atom>
                           <atom elementType="H" id="a31" x3="-2.76296733" y3="2.91899228" z3="-0.95293526">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                           </atom>
                           <atom elementType="H" id="a32" x3="0.09861127" y3="2.44688945" z3="-0.13444844">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                           </atom>
                           <atom elementType="H" id="a33" x3="-0.2206276" y3="1.95745285" z3="1.57337007">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                           </atom>
                           <atom elementType="H" id="a34" x3="-1.05758451" y3="3.29454442" z3="0.83410237">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                           </atom>
                           <atom elementType="H" id="a35" x3="0.350445" y3="-2.06309553" z3="-0.10250171">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                           </atom>
                           <atom elementType="H" id="a36" x3="-0.30294236" y3="-1.92591504" z3="-1.81862384">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                           </atom>
                           <atom elementType="H" id="a37" x3="-0.69688394" y3="-3.2243818" z3="-0.70486529">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                           </atom>
                           <atom elementType="H" id="a38" x3="-3.74883303" y3="-0.81805325" z3="-0.90566049">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                           </atom>
                           <atom elementType="H" id="a39" x3="-2.56594859" y3="-0.90322172" z3="-2.22027018">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                           </atom>
                           <atom elementType="H" id="a40" x3="-3.17169566" y3="-2.37298696" z3="-1.45652336">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                           </atom>
                           <atom elementType="H" id="a41" x3="-2.49572427" y3="-2.93775928" z3="0.97184124">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                           </atom>
                           <atom elementType="H" id="a42" x3="-3.05010467" y3="-1.36922205" z3="1.50551902">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                           </atom>
                           <atom elementType="H" id="a43" x3="-1.39702545" y3="-1.87236941" z3="1.84736668">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                           </atom>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a1 a16" order="S"/>
                           <bond atomRefs2="a1 a6" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a2 a3" order="S"/>
                           <bond atomRefs2="a2 a4" order="S"/>
                           <bond atomRefs2="a3 a17" order="S"/>
                           <bond atomRefs2="a3 a19" order="S"/>
                           <bond atomRefs2="a3 a18" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a4 a20" order="S"/>
                           <bond atomRefs2="a4 a21" order="S"/>
                           <bond atomRefs2="a5 a25" order="S"/>
                           <bond atomRefs2="a5 a24" order="S"/>
                           <bond atomRefs2="a5 a23" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a7 a8" order="S"/>
                           <bond atomRefs2="a7 a12" order="S"/>
                           <bond atomRefs2="a8 a11" order="S"/>
                           <bond atomRefs2="a8 a10" order="S"/>
                           <bond atomRefs2="a8 a9" order="S"/>
                           <bond atomRefs2="a9 a27" order="S"/>
                           <bond atomRefs2="a9 a28" order="S"/>
                           <bond atomRefs2="a9 a26" order="S"/>
                           <bond atomRefs2="a10 a29" order="S"/>
                           <bond atomRefs2="a10 a31" order="S"/>
                           <bond atomRefs2="a10 a30" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a32" order="S"/>
                           <bond atomRefs2="a11 a34" order="S"/>
                           <bond atomRefs2="a12 a15" order="S"/>
                           <bond atomRefs2="a12 a14" order="S"/>
                           <bond atomRefs2="a12 a13" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a13 a35" order="S"/>
                           <bond atomRefs2="a13 a37" order="S"/>
                           <bond atomRefs2="a14 a39" order="S"/>
                           <bond atomRefs2="a14 a38" order="S"/>
                           <bond atomRefs2="a14 a40" order="S"/>
                           <bond atomRefs2="a15 a43" order="S"/>
                           <bond atomRefs2="a15 a42" order="S"/>
                           <bond atomRefs2="a15 a41" order="S"/>
                        </bondArray>
                        <formula concise="C12H28N2Si">
                           <atomArray count="12 28 2 1" elementType="C H N Si"/>
                        </formula>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">200.2272999999999</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/C12H28N2Si/c1-10(2,3)13-15-14(11(4,5)6)12(7,8)9/h13H,1-9H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:3,4,5,9,10,11,13,14,15,2,8,12,1,7,6/E:(1,2,3)(4,5,6,7,8,9)(11,12)/CRV:15.2/rA:43nNCCCCSi2NCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:s1;s2;s2;s2;s1;s6;s7;s8;s8;s8;s7;s12;s12;s12;s1;s3;s3;s3;s4;s4;s4;s5;s5;s5;s9;s9;s9;s10;s10;s10;s11;s11;s11;s13;s13;s13;s14;s14;s14;s15;s15;s15;/rC:1.9561,.2372,-.8313;3.0652,.0169,.1497;4.0008,1.2183,.137;3.7949,-1.278,-.1736;2.3146,-.0689,1.4759;.486,-.1386,-.2237;-1.1339,.0407,-.0949;-1.7943,1.3693,.1714;-2.8478,1.2547,1.2633;-2.398,1.9065,-1.1248;-.6721,2.2944,.634;-1.746,-1.3277,-.2395;-.5673,-2.1402,-.7764;-2.8685,-1.3426,-1.2708;-2.1934,-1.8984,1.1009;2.1744,.4993,-1.7876;4.5254,1.2895,-.8156;4.7589,1.105,.9115;3.4711,2.1539,.313;4.2393,-1.2432,-1.168;4.605,-1.4403,.5366;3.1362,-2.1483,-.1298;1.3797,-.7321,1.3917;2.8389,-.6088,2.2671;1.9994,.9004,1.8665;-3.7045,.6572,.9563;-2.447,.8542,2.1941;-3.2303,2.2523,1.4777;-1.6632,1.9576,-1.9295;-3.2476,1.3225,-1.4692;-2.763,2.919,-.9529;.0986,2.4469,-.1344;-.2206,1.9575,1.5734;-1.0576,3.2945,.8341;.3504,-2.0631,-.1025;-.3029,-1.9259,-1.8186;-.6969,-3.2244,-.7049;-3.7488,-.8181,-.9057;-2.5659,-.9032,-2.2203;-3.1717,-2.373,-1.4565;-2.4957,-2.9378,.9718;-3.0501,-1.3692,1.5055;-1.397,-1.8724,1.8474;</scalar>
</formula>
</molecule>
                     <scalar dataType="xsd:integer" dictRef="o:charge">2</scalar>
                     <scalar dataType="xsd:integer" dictRef="cc:multiplicity">1</scalar>
                     <array dataType="xsd:string" dictRef="cc:keywords" size="7">SP DSD-BLYP D3BJ def2-QZVPP def2-QZVPP/C def2/J TightSCF</array>
                     <module cmlx:templateRef="block">
                        <scalar dataType="xsd:string" dictRef="o:type">output</scalar>
                        <scalar dataType="xsd:string" dictRef="o:parameters"/>
                        <scalar dataType="xsd:string" dictRef="o:parameter">xyzfile=True</scalar>
                     </module>
                     <module cmlx:templateRef="block">
                        <scalar dataType="xsd:string" dictRef="o:type">scf</scalar>
                        <scalar dataType="xsd:string" dictRef="o:parameters"/>
                        <scalar dataType="xsd:string" dictRef="o:parameter">maxiter 250</scalar>
                     </module>
                     <module cmlx:templateRef="block">
                        <scalar dataType="xsd:string" dictRef="o:type">output</scalar>
                        <scalar dataType="xsd:string" dictRef="o:parameters"/>
                        <scalar dataType="xsd:string" dictRef="o:parameter">Print[P_Hirshfeld] = 1</scalar>
                     </module>
                     <module cmlx:templateRef="block">
                        <scalar dataType="xsd:string" dictRef="o:type">maxcore</scalar>
                        <scalar dataType="xsd:string" dictRef="o:parameters"/>
                        <scalar dataType="xsd:string" dictRef="o:parameter">4800</scalar>
                        <scalar dataType="xsd:string" dictRef="o:parameter">%pal nprocs 8</scalar>
                     </module>
                  </module>
               </module>
            </module>
         </module>
         <module dictRef="cc:calculation" id="calculation"/>
         <module dictRef="cc:finalization" id="finalization">
            <propertyList/>
            <molecule id="finalization.0">
               <atomArray>
                  <atom elementType="N" id="a1" x3="1.956113" y3="0.237174" z3="-0.83132"/>
                  <atom elementType="C" id="a2" x3="3.065219" y3="0.016874" z3="0.149738"/>
                  <atom elementType="C" id="a3" x3="4.000788" y3="1.218346" z3="0.137036"/>
                  <atom elementType="C" id="a4" x3="3.794929" y3="-1.278021" z3="-0.173628"/>
                  <atom elementType="C" id="a5" x3="2.314582" y3="-0.068865" z3="1.475853"/>
                  <atom elementType="Si" id="a6" x3="0.486029" y3="-0.138603" z3="-0.223687"/>
                  <atom elementType="N" id="a7" x3="-1.133861" y3="0.04071" z3="-0.094874"/>
                  <atom elementType="C" id="a8" x3="-1.794333" y3="1.369253" z3="0.171373"/>
                  <atom elementType="C" id="a9" x3="-2.847823" y3="1.254695" z3="1.26332"/>
                  <atom elementType="C" id="a10" x3="-2.397987" y3="1.906464" z3="-1.124785"/>
                  <atom elementType="C" id="a11" x3="-0.672148" y3="2.294408" z3="0.63399"/>
                  <atom elementType="C" id="a12" x3="-1.746014" y3="-1.327746" z3="-0.239503"/>
                  <atom elementType="C" id="a13" x3="-0.567341" y3="-2.140222" z3="-0.776389"/>
                  <atom elementType="C" id="a14" x3="-2.868464" y3="-1.34258" z3="-1.270755"/>
                  <atom elementType="C" id="a15" x3="-2.193409" y3="-1.898386" z3="1.100873"/>
                  <atom elementType="H" id="a16" x3="2.174424" y3="0.499293" z3="-1.787554"/>
                  <atom elementType="H" id="a17" x3="4.525404" y3="1.289527" z3="-0.81563"/>
                  <atom elementType="H" id="a18" x3="4.758868" y3="1.104981" z3="0.911462"/>
                  <atom elementType="H" id="a19" x3="3.471057" y3="2.153946" z3="0.312991"/>
                  <atom elementType="H" id="a20" x3="4.239307" y3="-1.243208" z3="-1.168001"/>
                  <atom elementType="H" id="a21" x3="4.605006" y3="-1.440299" z3="0.536575"/>
                  <atom elementType="H" id="a22" x3="3.136201" y3="-2.148276" z3="-0.12983"/>
                  <atom elementType="H" id="a23" x3="1.379663" y3="-0.732062" z3="1.391703"/>
                  <atom elementType="H" id="a24" x3="2.838924" y3="-0.608812" z3="2.267122"/>
                  <atom elementType="H" id="a25" x3="1.99943" y3="0.900406" z3="1.86651"/>
                  <atom elementType="H" id="a26" x3="-3.70449" y3="0.657207" z3="0.956308"/>
                  <atom elementType="H" id="a27" x3="-2.446991" y3="0.854189" z3="2.194101"/>
                  <atom elementType="H" id="a28" x3="-3.230306" y3="2.252344" z3="1.477713"/>
                  <atom elementType="H" id="a29" x3="-1.663229" y3="1.957572" z3="-1.929475"/>
                  <atom elementType="H" id="a30" x3="-3.247569" y3="1.322505" z3="-1.469226"/>
                  <atom elementType="H" id="a31" x3="-2.762967" y3="2.918992" z3="-0.952935"/>
                  <atom elementType="H" id="a32" x3="0.098611" y3="2.446889" z3="-0.134448"/>
                  <atom elementType="H" id="a33" x3="-0.220628" y3="1.957453" z3="1.57337"/>
                  <atom elementType="H" id="a34" x3="-1.057585" y3="3.294544" z3="0.834102"/>
                  <atom elementType="H" id="a35" x3="0.350445" y3="-2.063096" z3="-0.102502"/>
                  <atom elementType="H" id="a36" x3="-0.302942" y3="-1.925915" z3="-1.818624"/>
                  <atom elementType="H" id="a37" x3="-0.696884" y3="-3.224382" z3="-0.704865"/>
                  <atom elementType="H" id="a38" x3="-3.748833" y3="-0.818053" z3="-0.90566"/>
                  <atom elementType="H" id="a39" x3="-2.565949" y3="-0.903222" z3="-2.22027"/>
                  <atom elementType="H" id="a40" x3="-3.171696" y3="-2.372987" z3="-1.456523"/>
                  <atom elementType="H" id="a41" x3="-2.495724" y3="-2.937759" z3="0.971841"/>
                  <atom elementType="H" id="a42" x3="-3.050105" y3="-1.369222" z3="1.505519"/>
                  <atom elementType="H" id="a43" x3="-1.397025" y3="-1.872369" z3="1.847367"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a2" order="S"/>
                  <bond atomRefs2="a1 a16" order="S"/>
                  <bond atomRefs2="a1 a6" order="S"/>
                  <bond atomRefs2="a2 a5" order="S"/>
                  <bond atomRefs2="a2 a3" order="S"/>
                  <bond atomRefs2="a2 a4" order="S"/>
                  <bond atomRefs2="a3 a17" order="S"/>
                  <bond atomRefs2="a3 a19" order="S"/>
                  <bond atomRefs2="a3 a18" order="S"/>
                  <bond atomRefs2="a4 a22" order="S"/>
                  <bond atomRefs2="a4 a20" order="S"/>
                  <bond atomRefs2="a4 a21" order="S"/>
                  <bond atomRefs2="a5 a25" order="S"/>
                  <bond atomRefs2="a5 a24" order="S"/>
                  <bond atomRefs2="a5 a23" order="S"/>
                  <bond atomRefs2="a6 a7" order="S"/>
                  <bond atomRefs2="a7 a8" order="S"/>
                  <bond atomRefs2="a7 a12" order="S"/>
                  <bond atomRefs2="a8 a11" order="S"/>
                  <bond atomRefs2="a8 a10" order="S"/>
                  <bond atomRefs2="a8 a9" order="S"/>
                  <bond atomRefs2="a9 a27" order="S"/>
                  <bond atomRefs2="a9 a28" order="S"/>
                  <bond atomRefs2="a9 a26" order="S"/>
                  <bond atomRefs2="a10 a29" order="S"/>
                  <bond atomRefs2="a10 a31" order="S"/>
                  <bond atomRefs2="a10 a30" order="S"/>
                  <bond atomRefs2="a11 a33" order="S"/>
                  <bond atomRefs2="a11 a32" order="S"/>
                  <bond atomRefs2="a11 a34" order="S"/>
                  <bond atomRefs2="a12 a15" order="S"/>
                  <bond atomRefs2="a12 a14" order="S"/>
                  <bond atomRefs2="a12 a13" order="S"/>
                  <bond atomRefs2="a13 a36" order="S"/>
                  <bond atomRefs2="a13 a35" order="S"/>
                  <bond atomRefs2="a13 a37" order="S"/>
                  <bond atomRefs2="a14 a39" order="S"/>
                  <bond atomRefs2="a14 a38" order="S"/>
                  <bond atomRefs2="a14 a40" order="S"/>
                  <bond atomRefs2="a15 a43" order="S"/>
                  <bond atomRefs2="a15 a42" order="S"/>
                  <bond atomRefs2="a15 a41" order="S"/>
               </bondArray>
               <formula concise="C12H28N2Si">
                  <atomArray count="12 28 2 1" elementType="C H N Si"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">200.2272999999999</scalar>
               </property>
            <formula convention="iupac:inchi" inline="InChI=1/C12H28N2Si/c1-10(2,3)13-15-14(11(4,5)6)12(7,8)9/h13H,1-9H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:3,4,5,9,10,11,13,14,15,2,8,12,1,7,6/E:(1,2,3)(4,5,6,7,8,9)(11,12)/CRV:15.2/rA:43nNCCCCSi2NCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:s1;s2;s2;s2;s1;s6;s7;s8;s8;s8;s7;s12;s12;s12;s1;s3;s3;s3;s4;s4;s4;s5;s5;s5;s9;s9;s9;s10;s10;s10;s11;s11;s11;s13;s13;s13;s14;s14;s14;s15;s15;s15;/rC:1.9561,.2372,-.8313;3.0652,.0169,.1497;4.0008,1.2183,.137;3.7949,-1.278,-.1736;2.3146,-.0689,1.4759;.486,-.1386,-.2237;-1.1339,.0407,-.0949;-1.7943,1.3693,.1714;-2.8478,1.2547,1.2633;-2.398,1.9065,-1.1248;-.6721,2.2944,.634;-1.746,-1.3277,-.2395;-.5673,-2.1402,-.7764;-2.8685,-1.3426,-1.2708;-2.1934,-1.8984,1.1009;2.1744,.4993,-1.7876;4.5254,1.2895,-.8156;4.7589,1.105,.9115;3.4711,2.1539,.313;4.2393,-1.2432,-1.168;4.605,-1.4403,.5366;3.1362,-2.1483,-.1298;1.3797,-.7321,1.3917;2.8389,-.6088,2.2671;1.9994,.9004,1.8665;-3.7045,.6572,.9563;-2.447,.8542,2.1941;-3.2303,2.2523,1.4777;-1.6632,1.9576,-1.9295;-3.2476,1.3225,-1.4692;-2.763,2.919,-.9529;.0986,2.4469,-.1344;-.2206,1.9575,1.5734;-1.0576,3.2945,.8341;.3504,-2.0631,-.1025;-.3029,-1.9259,-1.8186;-.6969,-3.2244,-.7049;-3.7488,-.8181,-.9057;-2.5659,-.9032,-2.2203;-3.1717,-2.373,-1.4565;-2.4957,-2.9378,.9718;-3.0501,-1.3692,1.5055;-1.397,-1.8724,1.8474;</scalar>
</formula>
</molecule>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="totalenergy" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="cc:totalener" units="nonsi:hartree">-870.44003452</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:nucrepener" units="nonsi:hartree">1298.02089243</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:electener" units="nonsi:hartree">-2168.46092694</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:oneelecener" units="nonsi:hartree">-3729.17492689</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:twoeener" units="nonsi:hartree">1560.71399995</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:potentialEnergy" units="nonsi:hartree">-1738.97280829</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:kineticenergy" units="nonsi:hartree">868.53277377</scalar>
                  <scalar dataType="xsd:double" dictRef="o:vircoeff">2.00219596</scalar>
                  <list id="dftcomponents">
                     <scalar dataType="xsd:double" dictRef="cc:alphae">63.000024105211</scalar>
                     <scalar dataType="xsd:double" dictRef="cc:betae">63.000024105211</scalar>
                     <scalar dataType="xsd:double" dictRef="cc:totale">126.000048210422</scalar>
                     <scalar dataType="xsd:double" dictRef="o:exchangeener" units="nonsi:hartree">-32.706452952455</scalar>
                     <scalar dataType="xsd:double" dictRef="o:correlationener" units="nonsi:hartree">-2.287799539394</scalar>
                     <scalar dataType="xsd:double" dictRef="o:xcener" units="nonsi:hartree">-34.994252491849</scalar>
                  </list>
               </module>
               <module cmlx:templateRef="orbitalenergies" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="orbital">
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70.5512 70.6684 70.7779 71.0586 71.2067 71.2748 71.4131 71.5971 71.7610 71.8952 72.1379 72.1913 72.4903 72.6730 72.7538 72.9424 73.2025 73.2615 73.3957 73.4356 73.5344 73.8242 73.8672 73.9836 74.1466 74.2704 74.3936 74.6409 74.7687 74.8565 74.8642 75.1137 75.3631 75.5278 75.6211 75.7531 75.9132 76.0229 76.0712 76.2209 76.3452 76.4350 76.7687 76.8138 76.9003 76.9898 77.0340 77.1892 77.2429 77.4376 77.5087 77.6166 77.7320 77.7626 78.0817 78.1625 78.2840 78.3753 78.4947 78.5884 78.8383 78.8582 79.0703 79.2435 79.5064 79.6334 79.6647 79.8046 79.9231 80.0372 80.1379 80.2734 80.4962 80.6559 80.7028 80.9084 81.0121 81.0869 81.1466 81.3587 81.5045 81.7530 81.8596 81.9427 82.2977 82.3927 82.5749 82.7155 83.0919 83.1446 83.1899 83.3286 83.4908 83.6012 83.6928 84.0178 84.1513 84.2576 84.4746 84.6669 84.8119 84.9877 85.1182 85.3065 85.4017 85.6701 85.7182 85.9476 86.1182 86.1468 86.4096 86.4704 86.7825 86.8881 87.0316 87.1784 87.3788 87.4232 87.6310 87.7832 87.9081 88.0433 88.1234 88.4679 88.5775 88.6977 88.7998 89.0067 89.1479 89.4058 89.4493 89.6237 89.7860 90.0288 90.2137 90.3252 90.4282 90.7195 90.7654 90.9510 91.0229 91.2140 91.4221 91.5942 91.7520 91.9237 91.9762 92.1723 92.2875 92.5979 92.7434 92.9686 93.2066 93.2568 93.4952 93.7023 93.9359 94.1041 94.2073 94.3040 94.4318 94.5292 94.6165 94.9086 94.9351 95.1933 95.3617 95.4442 95.7141 95.7754 95.9525 96.2125 96.4189 96.6738 96.8318 96.9754 97.1889 97.2396 97.4894 97.7261 98.1609 98.3914 98.5505 98.8021 99.0046 99.1287 99.1482 99.4228 99.8820 99.8927 100.0323 100.1657 100.4217 100.6620 100.9161 100.9949 101.0773 101.3102 101.5256 101.6434 101.8536 102.1021 102.4720 102.6509 102.7162 103.0316 103.1219 103.3128 103.7441 103.8087 103.9875 104.1879 104.3977 104.5168 104.5592 104.8949 105.0333 105.1166 105.2884 105.5179 105.6747 105.8499 105.9763 106.1594 106.2335 106.4108 106.4258 106.5151 106.7784 106.8358 106.9313 107.0539 107.3273 107.4349 107.6229 107.9105 108.1382 108.3021 108.6496 109.1051 109.2582 109.3543 109.6432 109.9902 110.2515 110.5739 110.7910 110.9123 111.5250 111.9669 112.3215 112.7545 112.9663 114.0504 114.6152 114.8010 115.0416 115.5890 116.5704 117.3284 118.1785 119.0635 119.2303 119.6374 119.8355 120.4279 120.6091 120.9028 121.1440 121.1741 121.4236 121.7733 121.9605 122.4859 122.8482 123.0887 123.3310 123.5833 123.9903 124.7911 125.6838 125.8551 126.1558 127.1851 128.8791 128.9802 129.4773 129.8782 129.9684 130.2785 130.8785 131.0492 131.6109 132.0902 132.7079 133.2862 133.6573 134.3996 134.8284 135.5993 136.6009 137.0854 137.3545 137.8433 138.3727 138.5193 139.5926 140.2499 140.3926 142.1393 142.6186 143.2817 143.9460 144.5505 145.8266 146.2079 146.4051 146.4335 147.1601 147.9066 148.0575 148.2941 148.3726 148.5936 148.8412 148.8700 148.9393 149.2783 149.3566 149.5770 149.6829 149.9686 150.0414 150.3869 150.5820 150.7003 150.9524 151.0395 151.3323 151.5197 151.7606 152.1514 152.3418 152.6465 152.7820 153.0889 153.4555 153.5554 153.8934 154.3671 154.5958 154.7657 154.9014 155.3475 155.4460 155.8928 156.0838 156.5301 156.6577 156.8024 156.9337 157.1206 157.2151 157.3416 157.5967 157.8271 157.8724 157.9577 158.2998 158.4070 158.5785 158.6493 158.7789 158.8907 159.0372 159.2097 159.4702 159.5235 159.5670 159.6404 159.8629 160.1053 160.2005 160.2827 160.3400 160.4180 160.5478 160.6420 160.6726 160.8121 161.0227 161.1000 161.1973 161.3542 161.4080 161.4972 161.5512 161.6692 161.8588 161.9024 162.0272 162.3213 162.3973 162.6279 162.6982 162.8301 162.9326 163.1215 163.1722 163.4644 163.5286 163.6044 163.7464 163.9010 164.0047 164.3328 164.4135 164.5502 164.6596 164.9512 165.0809 165.1461 165.4671 165.8036 165.9980 166.2508 166.3090 166.3598 166.6770 166.7281 166.9076 166.9502 167.1579 167.2904 167.4964 167.5740 167.6527 167.9746 168.0764 168.1178 168.1291 168.2998 168.3889 168.5800 168.6600 168.8946 168.9416 169.1680 169.2837 169.3319 169.5428 169.6725 169.7627 169.8753 170.0196 170.1089 170.4045 170.4931 170.6536 170.7088 170.9718 171.0355 171.2393 171.3328 171.5301 171.6261 171.8809 171.9775 172.0115 172.0879 172.1728 172.3548 172.4823 172.6008 172.7409 172.8797 172.9672 173.0358 173.1291 173.2870 173.3626 173.5478 173.7040 173.7216 173.7645 173.8173 173.9555 174.1639 174.2114 174.3244 174.5204 174.5797 174.8044 174.8614 174.9878 175.1840 175.3713 175.4806 175.6625 175.7772 176.1790 176.3506 176.6246 176.6998 176.8698 177.3511 177.5482 177.7351 178.0303 178.3238 178.3328 178.6410 178.7962 179.1466 179.3428 179.3821 179.4937 179.5744 179.9680 180.0356 180.2679 180.5111 180.5529 180.9157 181.0653 181.2394 181.2939 181.6745 181.8223 181.9749 182.1635 182.3560 182.3845 182.4458 182.7791 182.9294 183.2061 183.2991 183.3823 183.7372 183.8672 184.4228 184.7105 184.9121 185.0782 185.2223 185.2658 185.4952 185.6955 185.9503 186.2421 186.4342 186.7761 186.9907 187.0921 187.4016 187.5796 187.8148 188.1080 188.2443 188.2649 188.6681 189.2747 189.4337 189.6776 189.8473 190.0155 190.2385 190.6316 190.8191 190.9390 191.0776 191.1914 191.3989 191.6201 191.7240 191.9081 192.1435 192.2624 192.4298 192.8178 192.9434 193.1138 193.2391 193.3915 193.6155 193.8880 194.0828 194.2995 194.6159 194.7710 195.0268 195.2412 195.3290 195.5445 195.6550 196.0346 196.1337 196.2061 196.8278 196.9833 197.2861 197.5113 197.8507 198.1940 198.3636 198.6940 198.9010 199.0224 199.4190 199.6015 199.8684 199.9471 200.0954 200.3880 200.4897 200.9890 201.1321 201.3192 201.6171 201.8363 202.0008 202.1904 202.7077 202.7625 202.9640 202.9970 203.1611 203.2570 203.5377 203.5873 203.7290 203.8504 203.9303 204.1477 204.2919 204.4586 204.6645 204.8079 204.9230 205.1304 205.4547 205.6222 205.8540 205.9301 206.0483 206.3030 206.3947 206.6799 206.7083 206.9550 207.0490 207.2150 207.4310 207.6163 207.8022 207.9601 208.0954 208.1366 208.2811 208.3333 208.5056 208.5790 208.8162 208.9253 209.0431 209.2389 209.2839 209.4459 209.5878 209.8990 209.9652 210.1637 210.2175 210.2948 210.5245 210.6864 210.7654 210.8997 211.0012 211.1615 211.3398 211.4823 211.5701 211.6897 211.9279 211.9463 212.1204 212.2061 212.3776 212.4628 212.7049 212.8093 212.9107 213.0149 213.1261 213.1823 213.2811 213.3729 213.7513 213.9964 214.1020 214.1942 214.4641 214.6448 214.8467 214.9415 215.0348 215.1068 215.1742 215.1991 215.5016 215.5423 215.6319 215.8393 215.9573 216.0244 216.2394 216.2585 216.4170 216.6279 216.7594 216.8245 217.2088 217.3373 217.5882 217.6464 217.6932 217.9210 218.0939 218.2627 218.3978 218.5039 218.9537 219.2660 219.4670 219.5608 219.6646 219.9196 220.0541 220.3220 220.4031 220.5206 220.5359 220.8070 220.8877 220.9230 221.1224 221.1648 221.4883 221.6494 221.8722 222.0575 222.2087 222.2635 222.4220 222.6235 222.9421 223.2571 223.6563 223.8413 224.0585 224.2007 224.3077 224.7677 225.1615 225.2395 225.5545 225.8090 226.1680 226.7781 227.2191 227.3945 227.6181 227.6679 227.8911 228.1339 228.2545 228.4220 228.6037 228.6379 228.7955 228.8910 228.9828 229.2078 229.4302 229.5131 229.6359 229.8560 229.9894 230.1487 230.2150 230.3928 230.5654 230.6962 230.7091 230.8578 230.9531 231.1334 231.1814 231.3538 231.4943 231.5958 231.8127 231.8662 232.0300 232.0841 232.1619 232.2767 232.4424 232.5103 232.5359 232.5966 232.9963 233.0110 233.1882 233.4549 233.6354 233.6913 233.8147 233.8989 234.2447 234.3064 234.4561 234.5338 234.7155 234.9212 235.0462 235.2845 235.3523 235.6612 235.7711 235.8537 236.1600 236.2977 236.4180 236.6508 236.9697 237.1413 237.3230 237.5935 237.7020 237.8154 237.9652 238.0637 238.3834 238.5192 238.6097 238.8151 239.1243 239.4079 239.7156 239.8374 239.9241 239.9633 240.2141 240.4312 240.5346 240.7482 241.1982 241.3656 241.3817 241.5277 242.1332 242.3207 242.8070 242.8387 243.2299 243.4113 243.5510 243.7231 244.0015 244.1900 244.6736 244.7273 244.8396 244.9015 245.0246 245.1373 245.3139 245.4266 245.6114 245.6991 245.9162 245.9853 246.0386 246.2569 246.3204 246.6420 246.7612 246.7967 247.0568 247.0620 247.4240 247.6003 247.6461 247.8245 247.9369 248.0250 248.1797 248.3092 248.4807 248.6163 249.0909 249.3227 249.4819 250.0409 250.1299 250.2737 250.8220 250.8763 251.4085 252.1061 253.0424 253.0852 253.5106 253.7043 254.1389 254.4261 255.0394 255.4854 255.6050 256.0075 256.6150 257.2832 258.3766 259.3761 260.1878 260.5864 260.9600 261.5830 261.7537 262.1790 262.4001 263.8387 264.5700 264.6513 265.1661 265.3911 266.1428 266.3659 266.8707 267.2024 267.3138 267.4205 267.6528 267.7021 267.8226 267.8905 267.9843 268.1879 268.3299 268.4454 268.6620 268.7320 268.9694 269.1896 269.4240 269.6436 269.8725 269.9733 270.2065 270.5312 270.7795 270.9508 271.1690 271.6557 271.7772 271.8265 272.1229 272.3938 272.4733 272.5624 272.7383 273.0703 273.5147 273.5551 273.6357 274.4089 274.4885 274.5772 274.9440 275.2735 275.3721 275.7324 276.0566 276.0866 276.4517 276.8265 277.0886 277.5220 277.8170 277.9994 278.3686 278.6995 278.8509 279.2982 280.8851 281.3051 281.7263 282.5105 283.5141 283.7316 284.0303 284.1030 284.2620 284.5196 284.7197 285.0872 285.2621 285.4002 285.5528 285.8408 286.3639 286.5967 287.4674 287.9355 288.5365 288.8671 289.2641 290.0107 291.1240 291.7274 292.7066 293.1661 293.3396 293.8532 294.7443 302.5004 304.7155 306.5210 315.2961 321.3038 326.4714 331.1774 332.6311 333.0997 333.8500 334.6208 335.3334 335.6118 335.8399 336.5454 336.8840 337.8034 338.1829 339.4613 339.8394 339.9304 340.2965 340.8073 342.0510 343.4459 344.3584 350.2513 358.5717 359.6020 363.4990 364.2981 365.9509 366.1389 366.6966 367.4746 367.8144 377.9071 409.9839 472.9941 793.9554 795.2020 796.1418 801.3792 802.1370 803.4565 804.0510 804.2643 804.6178 804.9357 805.4220 805.5204 1048.2781 1052.0140 1608.2626 4057.3379 4058.6991 4059.6987 4065.1586 4065.9913 4067.2073 4067.4938 4067.8088 4067.9618 4068.4291 4068.7575 4069.4779 5411.7031 5415.1362 8682.1174</array>
                  </list>
               </module>
               <module cmlx:templateRef="mullikenpopulation" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="atomiccharges">
                     <scalar dataType="xsd:double" dictRef="x:chargesum">2.0000000</scalar>
                     <array dataType="xsd:integer" dictRef="cc:serial" size="43">0 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="43">N C C C C Si N C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H H H H H H</array>
                     <array dataType="xsd:double" dictRef="x:charge" size="43">-0.494228 0.164811 -0.148951 -0.119978 -0.222311 1.089238 -0.343326 0.127022 -0.130886 -0.137670 -0.243898 0.162040 -0.291386 -0.146718 -0.139106 0.242938 0.092313 0.101824 0.078246 0.093084 0.103356 0.049974 0.046801 0.181476 0.142166 0.062337 0.066647 0.109357 0.052370 0.086128 0.104594 0.080226 0.083887 0.134746 0.105329 0.147158 0.187741 0.081466 0.078253 0.110110 0.096816 0.105538 0.050466</array>
                  </module>
               </module>
               <module cmlx:templateRef="loewdin" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:integer" dictRef="cc:serial" size="43">0 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="43">N C C C C Si N C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H H H H H H</array>
                  <array dataType="xsd:double" dictRef="x:charge" size="43">0.562340 -0.328501 0.289661 0.280050 0.335614 0.183540 0.423929 -0.320379 0.277047 0.278883 0.272106 -0.306535 0.337788 0.291908 0.287080 -0.125263 -0.034041 -0.027413 -0.043042 -0.033695 -0.028151 -0.049938 0.001028 0.003862 -0.014310 -0.046313 -0.044250 -0.025482 -0.048050 -0.046988 -0.027984 -0.033007 -0.038924 -0.014026 0.014933 0.001615 0.015918 -0.038166 -0.040226 -0.026483 -0.028813 -0.040823 -0.046499</array>
               </module>
               <module cmlx:templateRef="mayer" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="mayercharges">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="43">0 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="43">N C C C C Si N C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H H H H H H</array>
                     <array dataType="xsd:double" dictRef="o:na" size="43">7.4942 5.8352 6.1490 6.1200 6.2223 12.9108 7.3433 5.8730 6.1309 6.1377 6.2439 5.8380 6.2914 6.1467 6.1391 0.7571 0.9077 0.8982 0.9218 0.9069 0.8966 0.9500 0.9532 0.8185 0.8578 0.9377 0.9334 0.8906 0.9476 0.9139 0.8954 0.9198 0.9161 0.8653 0.8947 0.8528 0.8123 0.9185 0.9217 0.8899 0.9032 0.8945 0.9495</array>
                     <array dataType="xsd:double" dictRef="o:za" size="43">7.0000 6.0000 6.0000 6.0000 6.0000 14.0000 7.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000</array>
                     <array dataType="xsd:double" dictRef="o:qa" size="43">-0.4942 0.1648 -0.1490 -0.1200 -0.2223 1.0892 -0.3433 0.1270 -0.1309 -0.1377 -0.2439 0.1620 -0.2914 -0.1467 -0.1391 0.2429 0.0923 0.1018 0.0782 0.0931 0.1034 0.0500 0.0468 0.1815 0.1422 0.0623 0.0666 0.1094 0.0524 0.0861 0.1046 0.0802 0.0839 0.1347 0.1053 0.1472 0.1877 0.0815 0.0783 0.1101 0.0968 0.1055 0.0505</array>
                     <array dataType="xsd:double" dictRef="o:va" size="43">3.1976 3.7728 3.8922 3.8895 3.8601 3.9447 2.9918 3.8630 3.8728 3.8930 3.8864 3.8257 3.8691 3.8955 3.8973 0.9895 0.9963 0.9985 0.9968 1.0009 1.0018 0.9998 0.9945 0.9662 0.9957 1.0049 1.0037 0.9994 1.0015 0.9977 1.0035 0.9843 0.9949 0.9970 0.9874 0.9885 0.9604 1.0017 1.0011 0.9969 1.0035 0.9985 1.0033</array>
                     <array dataType="xsd:double" dictRef="o:bva" size="43">3.1976 3.7728 3.8922 3.8895 3.8601 3.9447 2.9918 3.8630 3.8728 3.8930 3.8864 3.8257 3.8691 3.8955 3.8973 0.9895 0.9963 0.9985 0.9968 1.0009 1.0018 0.9998 0.9945 0.9662 0.9957 1.0049 1.0037 0.9994 1.0015 0.9977 1.0035 0.9843 0.9949 0.9970 0.9874 0.9885 0.9604 1.0017 1.0011 0.9969 1.0035 0.9985 1.0033</array>
                     <array dataType="xsd:double" dictRef="o:fa" size="43">-0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000</array>
                  </module>
                  <module cmlx:templateRef="bonds">
                     <array dataType="xsd:double" dictRef="x:distance" size="46">0.6732 1.5266 0.9166 1.0020 1.0245 0.9384 0.9559 0.9578 0.9587 0.9561 0.9616 0.9463 0.1239 0.7959 0.9276 0.9654 1.5471 0.2008 0.1659 0.1569 0.7087 0.7363 0.9890 1.0089 0.9574 0.9651 0.9589 0.9646 0.9527 0.9627 0.9650 0.9373 0.9562 0.9648 0.9073 0.9992 1.0294 0.7909 0.9476 0.9099 0.9647 0.9564 0.9552 0.9630 0.9629 0.9419</array>
                     <matrix cols="2" dataType="xsd:integer" dictRef="x:serial" rows="46">0 1 0 5 0 15 1 2 1 3 1 4 2 16 2 17 2 18 3 19 3 20 3 21 4 5 4 22 4 23 4 24 5 6 5 12 5 22 5 34 6 7 6 11 7 8 7 9 7 10 8 25 8 26 8 27 9 28 9 29 9 30 10 31 10 32 10 33 11 12 11 13 11 14 12 34 12 35 12 36 13 37 13 38 13 39 14 40 14 41 14 42</matrix>
                  </module>
               </module>
               <module cmlx:templateRef="mp2" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:total" units="nonsi:hartree">-871.823171353</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.033101204</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-871.856272557145</scalar>
               </module>
               <module cmlx:templateRef="electricproperties" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:double" dictRef="cc:dipole" size="9">-2.07359 3.32306 1.24947 -0.03731 -0.81925 -0.85656 2.87012 -2.93922 -0.06909</array>
                  <scalar dataType="xsd:double" dictRef="o:magnitude" units="nonsi2:au">1.51646</scalar>
                  <scalar dataType="xsd:double" dictRef="o:magnitude" units="nonsi2:debye">3.85453</scalar>
               </module>
            </module>
         </module>
      </module>
   </module>
</module>
