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                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="H"
                        id="a75"
                        x3="-1.118436"
                        y3="4.30578"
                        z3="2.077379">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="Cl"
                        id="a76"
                        x3="-1.307655"
                        y3="2.382451"
                        z3="-3.204681">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a40" order="S"/>
                  <bond atomRefs2="a1 a49" order="S"/>
                  <bond atomRefs2="a1 a45" order="S"/>
                  <bond atomRefs2="a1 a50" order="S"/>
                  <bond atomRefs2="a2 a40" order="S"/>
                  <bond atomRefs2="a2 a3" order="S"/>
                  <bond atomRefs2="a2 a41" order="S"/>
                  <bond atomRefs2="a2 a54" order="S"/>
                  <bond atomRefs2="a3 a5" order="S"/>
                  <bond atomRefs2="a3 a4" order="S"/>
                  <bond atomRefs2="a3 a6" order="S"/>
                  <bond atomRefs2="a4 a49" order="S"/>
                  <bond atomRefs2="a4 a60" order="S"/>
                  <bond atomRefs2="a4 a59" order="S"/>
                  <bond atomRefs2="a7 a40" order="S"/>
                  <bond atomRefs2="a7 a8" order="S"/>
                  <bond atomRefs2="a7 a9" order="S"/>
                  <bond atomRefs2="a8 a10" order="S"/>
                  <bond atomRefs2="a8 a11" order="S"/>
                  <bond atomRefs2="a9 a12" order="S"/>
                  <bond atomRefs2="a9 a17" order="S"/>
                  <bond atomRefs2="a10 a14" order="S"/>
                  <bond atomRefs2="a10 a13" order="S"/>
                  <bond atomRefs2="a12 a15" order="S"/>
                  <bond atomRefs2="a12 a13" order="S"/>
                  <bond atomRefs2="a13 a16" order="S"/>
                  <bond atomRefs2="a17 a29" order="S"/>
                  <bond atomRefs2="a17 a64" order="S"/>
                  <bond atomRefs2="a17 a18" order="S"/>
                  <bond atomRefs2="a18 a20" order="S"/>
                  <bond atomRefs2="a18 a19" order="S"/>
                  <bond atomRefs2="a19 a22" order="S"/>
                  <bond atomRefs2="a19 a21" order="S"/>
                  <bond atomRefs2="a20 a23" order="S"/>
                  <bond atomRefs2="a20 a24" order="S"/>
                  <bond atomRefs2="a21 a26" order="S"/>
                  <bond atomRefs2="a21 a25" order="S"/>
                  <bond atomRefs2="a23 a27" order="S"/>
                  <bond atomRefs2="a23 a25" order="S"/>
                  <bond atomRefs2="a25 a28" order="S"/>
                  <bond atomRefs2="a29 a30" order="S"/>
                  <bond atomRefs2="a29 a31" order="S"/>
                  <bond atomRefs2="a30 a33" order="S"/>
                  <bond atomRefs2="a30 a32" order="S"/>
                  <bond atomRefs2="a31 a35" order="S"/>
                  <bond atomRefs2="a31 a34" order="S"/>
                  <bond atomRefs2="a32 a37" order="S"/>
                  <bond atomRefs2="a32 a36" order="S"/>
                  <bond atomRefs2="a34 a38" order="S"/>
                  <bond atomRefs2="a34 a36" order="S"/>
                  <bond atomRefs2="a36 a39" order="S"/>
                  <bond atomRefs2="a40 a64" order="S"/>
                  <bond atomRefs2="a41 a42" order="S"/>
                  <bond atomRefs2="a41 a44" order="S"/>
                  <bond atomRefs2="a41 a43" order="S"/>
                  <bond atomRefs2="a45 a47" order="S"/>
                  <bond atomRefs2="a45 a48" order="S"/>
                  <bond atomRefs2="a45 a46" order="S"/>
                  <bond atomRefs2="a50 a53" order="S"/>
                  <bond atomRefs2="a50 a52" order="S"/>
                  <bond atomRefs2="a50 a51" order="S"/>
                  <bond atomRefs2="a53 a55" order="S"/>
                  <bond atomRefs2="a53 a54" order="S"/>
                  <bond atomRefs2="a53 a59" order="S"/>
                  <bond atomRefs2="a55 a58" order="S"/>
                  <bond atomRefs2="a55 a56" order="S"/>
                  <bond atomRefs2="a55 a57" order="S"/>
                  <bond atomRefs2="a60 a63" order="S"/>
                  <bond atomRefs2="a60 a61" order="S"/>
                  <bond atomRefs2="a60 a62" order="S"/>
                  <bond atomRefs2="a64 a67" order="S"/>
                  <bond atomRefs2="a64 a65" order="S"/>
                  <bond atomRefs2="a65 a67" order="S"/>
                  <bond atomRefs2="a65 a76" order="S"/>
                  <bond atomRefs2="a65 a66" order="S"/>
                  <bond atomRefs2="a66 a68" order="S"/>
                  <bond atomRefs2="a66 a69" order="S"/>
                  <bond atomRefs2="a67 a71" order="S"/>
                  <bond atomRefs2="a67 a70" order="S"/>
                  <bond atomRefs2="a68 a73" order="S"/>
                  <bond atomRefs2="a68 a72" order="S"/>
                  <bond atomRefs2="a70 a72" order="S"/>
                  <bond atomRefs2="a70 a74" order="S"/>
                  <bond atomRefs2="a72 a75" order="S"/>
               </bondArray>
               <formula concise="C34H35ClNiO3P2"/>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">612.4559219999999</scalar>
               </property>
               <formula convention="iupac:inchi"
                        inline="InChI=1/C28H30O3P2.C6H5Cl.Ni/c1-25-19-27(3)31-26(2,29-25)20-28(4,30-25)33(27)24-18-12-11-17-23(24)32(21-13-7-5-8-14-21)22-15-9-6-10-16-22;7-6-4-2-1-3-5-6;/h5-18H,19-20H2,1-4H3;1-5H;/rC34H35ClNiO3P2/c1-30-23-32(3)39-31(2,37-30)24-33(4,38-30)41(32)28-20-12-11-19-27(28)40(25-15-7-5-8-16-25,26-17-9-6-10-18-26)36(41)29-21-13-14-22-34(29,36)35/h5-22,29H,23-24H2,1-4H3">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:55,60,45,41,25,36,21,23,32,34,13,10,19,20,30,31,12,8,50,3,18,29,9,7,53,4,1,2,59,54,49,17,40;72,68,70,66,67,65,76;64/E:(1,2)(3,4)(5,6)(7,8,9,10)(13,14,15,16)(19,20)(21,22)(25,26)(27,28)(30,31);(2,3)(4,5);/CRV:5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,21.3,22.3,23.3,24.3;1.3,2.3,3.3,4.3,5.3,6.3;/rA:76nCCCCHHC3C3C3C3HC3C3HHHP4C3C3C3C3HC3HC3HHHC3C3C3C3HC3HC3HHHP4CHHHCHHHOCHHCOCHHHOCHHHNiCC3CC3HC3HC3HHHCl/rB:;s2;s3;s3;s3;;s7;s7;s8;s8;s9;s10s12;s10;s12;s13;s9;s17;s18;s18;s19;s19;s20;s20;s21s23;s21;s23;s25;s17;s29;s29;s30;s30;s31;s31;s32s34;s32;s34;s36;s1s2s7;s2;s41;s41;s41;s1;s45;s45;s45;s1s4;s1;s50;s50;s50;s2s53;s53;s55;s55;s55;s4s53;s4;s60;s60;s60;s17s40;s64;s65;s64s65;s66;s66;s67;s67;s68s70;s68;s70;s72;s65;/rC:1.9909,.1246,1.6967;3.0186,-.0137,-.8425;3.4696,1.4248,-.5771;3.7421,1.6099,.9196;4.4048,1.6127,-1.1269;2.7069,2.1373,-.9153;.8419,-1.9322,-.2348;1.7382,-3.0083,-.2985;-.5342,-2.1764,-.4397;1.2812,-4.3003,-.5506;2.8071,-2.8224,-.1908;-.9789,-3.4755,-.7011;-.0769,-4.5359,-.7521;1.9956,-5.1246,-.6062;-2.0412,-3.6589,-.8789;-.4355,-5.546,-.9623;-1.6605,-.7125,-.3514;-3.1243,-1.2187,-1.3272;-4.1808,-1.9763,-.806;-3.1772,-.7964,-2.6613;-5.2594,-2.3287,-1.6153;-4.1668,-2.2868,.2416;-4.2551,-1.1533,-3.4694;-2.3823,-.1599,-3.059;-5.2951,-1.9224,-2.9492;-6.0794,-2.9186,-1.1997;-4.2874,-.8163,-4.5077;-6.1429,-2.1962,-3.5812;-2.2562,-.7751,1.3851;-2.7544,.4185,1.9219;-2.1929,-1.914,2.1958;-3.1875,.4698,3.2444;-2.7826,1.3203,1.3047;-2.6233,-1.8595,3.5214;-1.7901,-2.8487,1.7994;-3.1203,-.6682,4.048;-3.5676,1.4092,3.6518;-2.5639,-2.7527,4.1473;-3.451,-.6256,5.0882;1.3163,-.153,-.049;2.9629,-.3386,-2.3222;2.6379,-1.3755,-2.4876;2.2548,.3349,-2.8274;3.9617,-.2106,-2.7658;.8743,.156,2.7182;.3597,-.8145,2.7663;1.2904,.3897,3.7099;.1379,.9279,2.4531;2.5637,1.432,1.6788;3.0856,-.8836,2.03;3.4164,-.7174,3.0672;2.7114,-1.9134,1.9506;4.2941,-.6624,1.1108;3.9644,-.8998,-.2453;5.4601,-1.5678,1.4323;5.7961,-1.3937,2.4627;5.1643,-2.6196,1.3187;6.2843,-1.348,.7412;4.7242,.6667,1.2921;4.2733,2.9818,1.2624;4.4398,3.0402,2.3459;5.2231,3.157,.7405;3.5474,3.7507,.9662;-.3932,1.0103,-.6634;-1.2547,2.5864,-1.4221;-2.4548,3.1079,-.8198;.0395,2.8938,-.8459;-2.4017,3.6876,.4147;-3.3983,3.0014,-1.3592;.022,3.5033,.4631;.9041,3.0771,-1.4931;-1.1449,3.8518,1.0844;-3.3194,4.0432,.889;.9795,3.6967,.9533;-1.1184,4.3058,2.0774;-1.3077,2.3825,-3.2047;/R:/0/N:55,60,45,41,25,36,21,23,32,34,13,10,72,68,19,20,30,31,12,8,70,66,50,3,18,29,9,7,67,53,4,1,2,65,76,64,59,54,49,17,40/E:(1,2)(3,4)(5,6)(7,8,9,10)(15,16,17,18)(23,24)(25,26)(30,31)(32,33)(38,39)/CRV:5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3,20.3,21.3,22.3,25.3,26.3,27.3,28.3,36.4,40.4,41.4</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=NiPhCl_PhPAdDPi2_03_opt_r_ang_rel_ts_irc_n2_rcfc_s.log</array>
               </module>
               <module cmlx:templateRef="l1" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l1.end">
                     <array dataType="xsd:string" dictRef="g:kk" size="1">nprocshared=16</array>
                     <array dataType="xsd:string" dictRef="g:kk" size="1">mem=60GB</array>
                     <array dataType="xsd:string" dictRef="g:kk" size="1">oldchk=NiPhCl_PhPAdDPi2_03_opt_r_ang_rel_ts_irc_n2_rcfc</array>
                     <array dataType="xsd:string" dictRef="g:kk" size="1">chk=NiPhCl_PhPAdDPi2_03_opt_r_ang_rel_ts_irc_n2_rcfc_s</array>
                     <scalar cmlx:templateRef="title" dataType="xsd:string" dictRef="cc:title">#p nosymm gfinput gfprint scf(maxcyc=200,xqc) wb97xd/def2tzvp sp scrf(</scalar>
                     <list cmlx:templateRef="control">
                        <scalar dataType="xsd:string" dictRef="g:control">1/29=2,38=1,172=1/1</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">2/12=2,15=1,40=1/2</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">3/5=44,7=101,11=2,14=-4,24=110,25=1,30=1,70=32201,72=31,74=-58,116=-2/1,2,3</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">4/5=1/1</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">5/5=2,7=200,8=3,13=1,38=6,53=31/2,8</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">99/5=1,9=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">[Ni(Ph)(Cl)(PhPAdDP)]</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>
                  <module cmlx:templateRef="l101.isotope2">
                     <array cmlx:templateRef="atom"
                            dataType="xsd:integer"
                            dictRef="x:x"
                            size="76">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</array>
                     <array cmlx:templateRef="iatwgt"
                            dataType="xsd:integer"
                            dictRef="x:x"
                            size="76">12 12 12 12 1 1 12 12 12 12 1 12 12 1 1 1 31 12 12 12 12 1 12 1 12 1 1 1 12 12 12 12 1 12 1 12 1 1 1 31 12 1 1 1 12 1 1 1 16 12 1 1 12 16 12 1 1 1 16 12 1 1 1 58 12 12 12 12 1 12 1 12 1 1 1 35</array>
                     <array cmlx:templateRef="atmwgt"
                            dataType="xsd:double"
                            dictRef="x:x"
                            size="76">12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 30.9737634 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 30.9737634 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 15.9949146 12.0000000 1.0078250 1.0078250 12.0000000 15.9949146 12.0000000 1.0078250 1.0078250 1.0078250 15.9949146 12.0000000 1.0078250 1.0078250 1.0078250 57.9353471 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 34.9688527</array>
                     <array cmlx:templateRef="nucspn"
                            dataType="xsd:integer"
                            dictRef="x:x"
                            size="76">0 0 0 0 1 1 0 0 0 0 1 0 0 1 1 1 1 0 0 0 0 1 0 1 0 1 1 1 0 0 0 0 1 0 1 0 1 1 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 0 0 1 1 1 0 0 1 1 1 0 0 0 0 0 1 0 1 0 1 1 1 3</array>
                     <array cmlx:templateRef="atzeff"
                            dataType="xsd:double"
                            dictRef="x:x"
                            size="76">3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 12.9400000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 3.6000000 1.0000000 3.6000000 1.0000000 1.0000000 1.0000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 3.6000000 1.0000000 3.6000000 1.0000000 1.0000000 1.0000000 12.9400000 3.6000000 1.0000000 1.0000000 1.0000000 3.6000000 1.0000000 1.0000000 1.0000000 5.6000000 3.6000000 1.0000000 1.0000000 3.6000000 5.6000000 3.6000000 1.0000000 1.0000000 1.0000000 5.6000000 3.6000000 1.0000000 1.0000000 1.0000000 25.4800000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 3.6000000 1.0000000 3.6000000 1.0000000 1.0000000 1.0000000 14.2400000</array>
                  </module>
                  <list cmlx:templateRef="rest">
                     <scalar dataType="xsd:string" dictRef="x:l101">(Enter /opt/software/gaussian/g16/l101.exe)</scalar>
                  </list>
               </module>
               <module cmlx:templateRef="l301.basis" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="ernie">
                     <scalar dataType="xsd:double" dictRef="g:thresh">0.10000e-02</scalar>
                     <scalar dataType="xsd:double" dictRef="g:tol">0.10000e-05</scalar>
                     <scalar dataType="xsd:string" dictRef="g:strict">F</scalar>
                  </module>
                  <scalar dataType="xsd:integer" dictRef="cc:uniqatoms">76</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">T</scalar>
                  <scalar dataType="xsd:string" dictRef="g:misc">IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000</scalar>
                  <scalar dataType="xsd:string" dictRef="g:misc">ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000</scalar>
                  <scalar dataType="xsd:string" dictRef="g:misc">IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121</scalar>
               </module>
               <module cmlx:templateRef="l302.basis" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="basis">
                     <array dataType="xsd:string" dictRef="g:basis" size="11">NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1</array>
                     <array dataType="xsd:string" dictRef="g:basis" size="8">NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0.</array>
                     <array dataType="xsd:string" dictRef="g:basis" size="5">One-electron integrals computed using PRISM.</array>
                  </list>
               </module>
            </module>
         </module>
         <module dictRef="cc:calculation" id="calculation">
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="l301">
                  <module cmlx:templateRef="l301.dispersion">
                     <scalar dataType="xsd:string" dictRef="g:empdispersion">Grimme-D2</scalar>
                     <scalar dataType="xsd:double" dictRef="g:dispenergy" units="nonsi:hartree">-0.0936348780</scalar>
                  </module>
                  <module cmlx:templateRef="l301.pcm.standard">
                     <scalar dataType="xsd:string" dictRef="g:model">PCM</scalar>
                     <scalar dataType="xsd:string" dictRef="g:atomicradii">SMD-Coulomb.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:polarcharges">Total charges</scalar>
                     <scalar dataType="xsd:string" dictRef="g:chargecompensation">None</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solutionmethod">On-the-fly selection</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solvent">1,4-Dioxane</scalar>
                     <scalar dataType="xsd:double" dictRef="g:eps">2.209900</scalar>
                     <scalar dataType="xsd:double" dictRef="g:epsinfinity">2.023222</scalar>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst"
                            dataType="xsd:double"
                            dictRef="cc:rotconst"
                            size="3">0.1120203 0.0716520 0.0642960</array>
                  </module>
               </module>
               <module cmlx:templateRef="l302">
                  <module cmlx:templateRef="l302.basis2">
                     <list cmlx:templateRef="basis">
                        <array dataType="xsd:string" dictRef="g:basis" size="5">Precomputing XC quadrature grid using</array>
                        <array dataType="xsd:string" dictRef="g:basis" size="10">IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00.</array>
                        <array dataType="xsd:string" dictRef="g:basis" size="9">Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32</array>
                        <array dataType="xsd:string" dictRef="g:basis" size="10">NSgBfM= 1666 1663 1664 1666 1666 MxSgAt= 76 MxSgA2= 76.</array>
                     </list>
                  </module>
               </module>
               <module cmlx:templateRef="l303.basis">
                  <list cmlx:templateRef="l303">
                     <scalar dataType="xsd:integer" dictRef="g:dipdrv">1</scalar>
                  </list>
               </module>
               <module cmlx:templateRef="l502">
                  <scalar dataType="xsd:string" dictRef="g:l502.type">Closed</scalar>
                  <module cmlx:templateRef="l502.cycle">
                     <list cmlx:templateRef="cycle">
                        <list>
                           <scalar dataType="xsd:integer" dictRef="cc:cycle">1</scalar>
                           <scalar dataType="xsd:integer" dictRef="g:pass">1</scalar>
                           <scalar dataType="xsd:integer" dictRef="g:idiag">1</scalar>
                        </list>
                     </list>
                     <module cmlx:templateRef="l502.e">
                        <list cmlx:templateRef="l502.e">
                           <scalar dataType="xsd:double" dictRef="g:l502.e">-4192.96959758573</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-4193.18082767590</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.211230090164</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-4193.83338422305</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.652556547153</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-4193.83276495279</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">0.000619270265</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-4193.83528650512</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.002521552332</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-4193.83565071656</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000364211446</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-4193.83566964624</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000018929678</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-4193.83567085944</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000001213200</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-4193.83567115922</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000299778</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-4193.83567121475</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000055528</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-4193.83567122931</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000014563</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-4193.83567123232</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000003010</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-4193.83567123293</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000000611</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-4193.83567123307</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000000137</scalar>
                           </list>
                        </list>
                     </module>
                  </module>
                  <module cmlx:templateRef="l502.footer">
                     <list cmlx:templateRef="scfdone">
                        <list>
                           <scalar dataType="xsd:double" dictRef="g:rbhflyp" units="nonsi:hartree">-4193.83567123</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:ncycle">14</scalar>
                        </list>
                     </list>
                     <module cmlx:templateRef="scfdone">
                        <list cmlx:templateRef="scfdone">
                           <list>
                              <scalar dataType="xsd:double" dictRef="cc:kinener">4.181200677489e+03</scalar>
                              <scalar dataType="xsd:double" dictRef="cc:potener">-2.366429275706e+04</scalar>
                              <scalar dataType="xsd:double" dictRef="cc:eener">8.412479869669e+03</scalar>
                           </list>
                        </list>
                     </module>
                  </module>
                  <list cmlx:templateRef="l502">
                     <scalar dataType="xsd:string" dictRef="g:l502">Using DIIS extrapolation, IDIIS=  1040.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">NGot=  8053063680 LenX=  8047106338 LenY=  8044146218</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">Requested convergence on MAX density matrix=1.00D-06.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">Requested convergence on             energy=1.00D-06.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">No special actions if energy rises.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">Fock matrices will be formed incrementally for  20 cycles.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502"/>
                  </list>
               </module>
            </module>
         </module>
         <module dictRef="cc:finalization" id="finalization">
            <propertyList>
               <property dictRef="cc:jobtime">
                  <scalar dataType="xsd:string">PT61077.100S</scalar>
               </property>
               <property dictRef="cc:jobdatetime.end">
                  <scalar dataType="xsd:string">Fri Aug  9 15:54:37 2024</scalar>
               </property>
               <property dictRef="cc:popanal">
                  <module cmlx:templateRef="l601.popanal" dictRef="cc:userDefinedModule">
                     <array dataType="xsd:double" dictRef="g:alphaocc" size="164">-31.26244 -31.25865 -31.24551 -19.26383 -19.26173 -19.25925 -10.39364 -10.39196 -10.35409 -10.35383 -10.32935 -10.30882 -10.30749 -10.30037 -10.30016 -10.29911 -10.29902 -10.29879 -10.29817 -10.29576 -10.29516 -10.29459 -10.29356 -10.29356 -10.29221 -10.29201 -10.29178 -10.29107 -10.29058 -10.28514 -10.28399 -10.27939 -10.27871 -10.27859 -10.27616 -10.27560 -10.27323 -10.27106 -10.27076 -10.26884 -9.55827 -7.30435 -7.29621 -7.29619 -6.67670 -6.66823 -4.82385 -4.82361 -4.81978 -4.81536 -4.81462 -4.81131 -4.04473 -2.64112 -2.63017 -2.60806 -1.20823 -1.15000 -1.10887 -0.97137 -0.96228 -0.96094 -0.95874 -0.93784 -0.90750 -0.89751 -0.87945 -0.85725 -0.85063 -0.84859 -0.84822 -0.84680 -0.84459 -0.83957 -0.83393 -0.80796 -0.80132 -0.79599 -0.75633 -0.75140 -0.71348 -0.71118 -0.70375 -0.70230 -0.69734 -0.69143 -0.68747 -0.68598 -0.68033 -0.67200 -0.65434 -0.61847 -0.61082 -0.61015 -0.59905 -0.58905 -0.58654 -0.58311 -0.56371 -0.55553 -0.55520 -0.54778 -0.54598 -0.54189 -0.53710 -0.53701 -0.53378 -0.53295 -0.52917 -0.52161 -0.51936 -0.51160 -0.51011 -0.50763 -0.50264 -0.50147 -0.49944 -0.49877 -0.49086 -0.48694 -0.48529 -0.48399 -0.47458 -0.47050 -0.46760 -0.46660 -0.46522 -0.46177 -0.46095 -0.45505 -0.45178 -0.44907 -0.44643 -0.43469 -0.43076 -0.42900 -0.42730 -0.42199 -0.41942 -0.41676 -0.41325 -0.41038 -0.40577 -0.40392 -0.39984 -0.39603 -0.38212 -0.37410 -0.36168 -0.35345 -0.34438 -0.34264 -0.34143 -0.33871 -0.33595 -0.33287 -0.32644 -0.32286 -0.31671 -0.29523 -0.29079 -0.28448 -0.26936 -0.23569</array>
                     <array dataType="xsd:double" dictRef="g:alphavirt" size="1344">0.01813 0.02274 0.03376 0.04397 0.04837 0.05433 0.05642 0.07907 0.08770 0.10131 0.11048 0.11660 0.12104 0.12924 0.13254 0.13649 0.13792 0.13862 0.14474 0.14726 0.14892 0.15130 0.15707 0.15988 0.16157 0.16536 0.16732 0.17078 0.17302 0.17775 0.17960 0.18246 0.18310 0.18544 0.18872 0.19006 0.19024 0.19332 0.19699 0.19986 0.20191 0.20306 0.20385 0.20753 0.21065 0.21179 0.21417 0.21464 0.21983 0.22236 0.22296 0.22532 0.23018 0.23192 0.23576 0.23657 0.24224 0.24342 0.24808 0.25084 0.25629 0.25785 0.26090 0.26222 0.26752 0.27021 0.27160 0.27248 0.27778 0.28012 0.28310 0.28394 0.28578 0.28701 0.28831 0.29057 0.29331 0.29703 0.29887 0.30212 0.30454 0.30698 0.30802 0.31146 0.31303 0.31575 0.31772 0.32002 0.32265 0.32743 0.33078 0.33177 0.33279 0.33366 0.33882 0.34606 0.34787 0.35115 0.35405 0.35532 0.35738 0.35900 0.36143 0.36358 0.36590 0.36765 0.36901 0.37248 0.37506 0.37657 0.37881 0.38179 0.38511 0.38660 0.39201 0.39388 0.39741 0.39977 0.40060 0.40451 0.40676 0.41109 0.41452 0.41563 0.41822 0.42129 0.42264 0.42427 0.42933 0.43056 0.43319 0.43470 0.43776 0.43813 0.44182 0.44700 0.45122 0.45531 0.45708 0.45905 0.46148 0.46226 0.46409 0.46953 0.47359 0.47496 0.47669 0.47972 0.48071 0.48423 0.48655 0.48714 0.48826 0.49206 0.49394 0.49624 0.49738 0.49809 0.49989 0.50476 0.50493 0.50671 0.50794 0.51003 0.51408 0.51461 0.51677 0.51887 0.52038 0.52309 0.52540 0.52575 0.52912 0.53188 0.53366 0.53479 0.53574 0.53847 0.53937 0.54271 0.54577 0.54860 0.54914 0.55147 0.55478 0.55713 0.55917 0.56082 0.56143 0.56682 0.56922 0.57061 0.57163 0.57526 0.57749 0.57949 0.58145 0.58349 0.58418 0.58810 0.59122 0.59334 0.59381 0.59728 0.60009 0.60119 0.60346 0.60732 0.60914 0.60935 0.61479 0.61923 0.62563 0.62808 0.63261 0.63491 0.63946 0.64181 0.64550 0.64955 0.65113 0.65903 0.65918 0.66177 0.66644 0.67210 0.67650 0.67752 0.67980 0.68503 0.68769 0.68875 0.69363 0.69598 0.70230 0.70524 0.70691 0.71060 0.71318 0.71826 0.72278 0.72679 0.73191 0.73260 0.73554 0.73750 0.74508 0.74725 0.74858 0.75145 0.75408 0.75676 0.76066 0.76836 0.76997 0.77260 0.77709 0.77851 0.78324 0.78354 0.78792 0.79106 0.79210 0.79523 0.79698 0.79977 0.80388 0.80665 0.81071 0.81352 0.81736 0.82260 0.82437 0.83121 0.83188 0.83431 0.83845 0.84022 0.84790 0.84970 0.85130 0.85596 0.85851 0.86027 0.86584 0.86981 0.87470 0.87599 0.87800 0.88325 0.88498 0.88796 0.89010 0.89495 0.89825 0.90058 0.90399 0.90449 0.90754 0.91244 0.91748 0.92273 0.92515 0.92922 0.93222 0.93628 0.93846 0.94168 0.94297 0.94617 0.94661 0.95207 0.95512 0.95665 0.96040 0.96096 0.96258 0.97082 0.97262 0.97433 0.97729 0.98227 0.98278 0.98850 0.99227 0.99437 0.99731 1.00357 1.00780 1.00930 1.01174 1.01845 1.01905 1.02092 1.02597 1.03092 1.03275 1.03722 1.04204 1.04398 1.04607 1.05074 1.05522 1.05633 1.06307 1.06354 1.06905 1.07103 1.07920 1.08175 1.08804 1.09337 1.09582 1.09948 1.10706 1.10958 1.11771 1.12271 1.12522 1.13056 1.13503 1.13662 1.13996 1.15174 1.15411 1.15981 1.16756 1.17058 1.17482 1.17665 1.18005 1.18661 1.18865 1.19365 1.19581 1.20000 1.20372 1.20465 1.20957 1.21431 1.21900 1.22472 1.22838 1.23019 1.23601 1.23767 1.24550 1.24644 1.25194 1.25664 1.25715 1.26355 1.26758 1.26944 1.27631 1.28095 1.28426 1.28547 1.29380 1.29646 1.29863 1.30376 1.30637 1.30940 1.31392 1.31460 1.31808 1.32624 1.32717 1.33327 1.33634 1.34439 1.34536 1.34887 1.35234 1.35589 1.35791 1.36309 1.36579 1.37263 1.37393 1.37645 1.38008 1.38523 1.39059 1.39284 1.39494 1.39727 1.40062 1.40630 1.40858 1.41122 1.41655 1.41898 1.42421 1.42736 1.43446 1.43726 1.43936 1.44711 1.44820 1.45432 1.45727 1.46355 1.46564 1.47025 1.47454 1.47545 1.48182 1.48562 1.49424 1.49713 1.50046 1.50270 1.50514 1.50901 1.51431 1.51801 1.52358 1.52719 1.53391 1.53623 1.54078 1.54476 1.55115 1.55495 1.55812 1.56240 1.56466 1.56806 1.57255 1.58095 1.58181 1.58766 1.58976 1.59371 1.59597 1.59905 1.60609 1.61114 1.61361 1.61715 1.62284 1.62556 1.62882 1.63126 1.63952 1.64232 1.64453 1.64721 1.66018 1.66228 1.66602 1.66651 1.66901 1.67162 1.67289 1.67712 1.68422 1.68552 1.68801 1.69471 1.69905 1.70312 1.70452 1.70750 1.71323 1.71728 1.71878 1.72004 1.72171 1.72573 1.72842 1.73312 1.73902 1.74340 1.74782 1.74881 1.75405 1.75549 1.75902 1.76415 1.76919 1.77016 1.77259 1.77551 1.77573 1.77835 1.78422 1.78805 1.79163 1.79537 1.79970 1.80461 1.80796 1.81100 1.81464 1.81600 1.82070 1.82485 1.82905 1.83188 1.83349 1.83805 1.84173 1.84531 1.84983 1.85199 1.85610 1.85837 1.86169 1.86913 1.87307 1.87713 1.88441 1.88549 1.88993 1.89749 1.90201 1.90715 1.90882 1.91408 1.91741 1.92042 1.92362 1.93271 1.93505 1.94123 1.94407 1.94633 1.95143 1.95646 1.95919 1.96269 1.96357 1.97141 1.97427 1.97798 1.98127 1.98534 1.98971 1.99750 1.99944 2.00252 2.00536 2.01055 2.01868 2.01967 2.02426 2.02903 2.03518 2.03700 2.03787 2.04541 2.05238 2.05847 2.06605 2.07102 2.07215 2.08198 2.08754 2.08994 2.09668 2.09898 2.10099 2.10920 2.11288 2.11838 2.12158 2.12489 2.12967 2.13293 2.13703 2.14198 2.14507 2.15185 2.15361 2.15935 2.16514 2.16985 2.17022 2.17470 2.18063 2.18210 2.18534 2.18568 2.19256 2.19475 2.20012 2.20256 2.20443 2.20581 2.21026 2.21772 2.22317 2.22439 2.22674 2.23167 2.23437 2.23690 2.23961 2.24436 2.24659 2.25394 2.25657 2.25916 2.27025 2.27153 2.27693 2.27859 2.28254 2.28563 2.29241 2.29404 2.29949 2.30262 2.30821 2.31056 2.31357 2.31734 2.32150 2.32483 2.33034 2.33691 2.34248 2.34289 2.34951 2.35497 2.35570 2.35944 2.37032 2.37357 2.37937 2.38789 2.39069 2.39542 2.39891 2.40413 2.41056 2.41983 2.42068 2.42737 2.42922 2.43281 2.43692 2.43730 2.44172 2.44986 2.45888 2.46336 2.47039 2.47377 2.47541 2.48133 2.48707 2.49374 2.49652 2.50152 2.50484 2.50842 2.51267 2.52177 2.52256 2.52358 2.52864 2.53450 2.53832 2.53990 2.54580 2.55002 2.55411 2.56348 2.56627 2.57019 2.57298 2.57577 2.57953 2.58536 2.58978 2.59324 2.60180 2.60630 2.61227 2.61395 2.61771 2.62194 2.62962 2.63370 2.63760 2.64001 2.64252 2.64683 2.65485 2.65650 2.66224 2.66732 2.67172 2.67533 2.68087 2.68348 2.68461 2.69168 2.69596 2.70060 2.70079 2.70264 2.71184 2.71968 2.72264 2.72350 2.72763 2.73098 2.73215 2.73548 2.74029 2.74263 2.74589 2.74767 2.75027 2.75423 2.75770 2.75858 2.76067 2.76393 2.76632 2.76913 2.77083 2.77492 2.77639 2.78072 2.78232 2.78434 2.78845 2.79028 2.79472 2.79921 2.80191 2.80346 2.80691 2.81038 2.81193 2.81574 2.81905 2.82307 2.82510 2.82667 2.83236 2.83510 2.83758 2.84055 2.84261 2.84725 2.84904 2.85295 2.85485 2.85822 2.85988 2.86624 2.87047 2.87095 2.87355 2.87693 2.88083 2.88446 2.88882 2.89140 2.89534 2.89801 2.90200 2.90467 2.91082 2.91165 2.91426 2.92024 2.92307 2.92599 2.92875 2.93503 2.93701 2.93793 2.94431 2.94713 2.95263 2.95591 2.96055 2.96346 2.96530 2.97000 2.97023 2.97226 2.97726 2.98602 2.98701 2.98963 2.99181 2.99820 3.00360 3.00657 3.01068 3.01454 3.01777 3.02132 3.02619 3.02982 3.03712 3.03784 3.04341 3.04849 3.05522 3.06127 3.06420 3.07042 3.07378 3.08287 3.08840 3.09478 3.10500 3.10921 3.11199 3.12408 3.12691 3.12993 3.13626 3.13753 3.13960 3.14526 3.15421 3.15887 3.16200 3.17282 3.17752 3.18207 3.18719 3.19568 3.20506 3.20973 3.21059 3.21427 3.21574 3.21617 3.22137 3.22517 3.22729 3.23293 3.23396 3.23771 3.23913 3.24264 3.24672 3.24965 3.25179 3.25491 3.26203 3.26391 3.26534 3.27261 3.27451 3.27647 3.28263 3.28630 3.28934 3.29114 3.29369 3.29932 3.30247 3.30520 3.31445 3.31648 3.31986 3.32299 3.32811 3.33014 3.33467 3.33843 3.34085 3.34296 3.34812 3.34922 3.35294 3.35953 3.36185 3.36601 3.36771 3.37669 3.37731 3.38030 3.38239 3.38457 3.38714 3.38969 3.39349 3.39972 3.40192 3.40571 3.41163 3.41388 3.41745 3.42150 3.42394 3.42920 3.43367 3.43541 3.43774 3.44265 3.44628 3.44896 3.45485 3.45509 3.45574 3.45933 3.46192 3.46444 3.46773 3.46844 3.47386 3.47659 3.47939 3.48136 3.48432 3.48777 3.49177 3.49494 3.49615 3.50070 3.50098 3.50570 3.51166 3.51405 3.51824 3.52053 3.52583 3.52907 3.53181 3.53459 3.53983 3.54260 3.54898 3.55183 3.55485 3.56065 3.56094 3.56280 3.56864 3.56942 3.57143 3.57454 3.57589 3.58406 3.58712 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4.27368 4.27983 4.28280 4.28668 4.28880 4.29205 4.29273 4.29351 4.29581 4.29912 4.30223 4.30508 4.30937 4.31369 4.31408 4.31964 4.32104 4.32468 4.32594 4.33091 4.33461 4.34639 4.35756 4.36060 4.36521 4.36628 4.37249 4.37599 4.38697 4.40643 4.40847 4.41392 4.42145 4.42936 4.43363 4.43895 4.44409 4.45194 4.45663 4.45953 4.46938 4.47826 4.48997 4.49446 4.50105 4.51436 4.51927 4.52406 4.53606 4.54319 4.54514 4.56458 4.57173 4.60125 4.60873 4.62025 4.63525 4.64186 4.67388 4.67955 4.68827 4.69647 4.69967 4.70409 4.70959 4.71077 4.71547 4.72109 4.72677 4.73357 4.73992 4.74533 4.75014 4.77030 4.79588 4.79962 4.80679 4.82044 4.82658 4.83796 4.84363 4.85208 4.86331 4.87222 4.87763 4.88739 4.89199 4.90955 4.91643 4.94280 4.95259 4.95892 4.96437 4.97550 5.00382 5.00965 5.01453 5.02307 5.03537 5.04774 5.05114 5.06443 5.08466 5.10314 5.11515 5.14304 5.15671 5.17598 5.18547 5.19199 5.21965 5.22626 5.23779 5.24208 5.24621 5.24934 5.25355 5.25788 5.26222 5.28093 5.28878 5.30290 5.31833 5.33656 5.36218 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                  </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="76">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</array>
                        <array dataType="xsd:string" dictRef="cc:elementType" size="76">C C C C H H C C C C H C C H H H P C C C C H C H C H H H C C C C H C H C H H H P C H H H C H H H O C H H C O C H H H O C H H H Ni C C C C H C H C H H H Cl</array>
                        <array dataType="xsd:double" dictRef="x:charge" size="76">0.428130 0.415869 -0.361482 0.322147 0.119721 0.111384 -0.125026 -0.303068 0.023753 -0.156956 0.192770 -0.155542 -0.144433 0.139964 0.165574 0.141233 0.288945 0.074018 -0.218710 -0.185857 -0.150779 0.169214 -0.172662 0.150083 -0.112163 0.139587 0.139802 0.141813 -0.040945 -0.095773 -0.158803 -0.234141 0.202200 -0.179976 0.161083 -0.079388 0.133613 0.138484 0.141506 0.185728 -0.396461 0.150736 0.153068 0.134874 -0.437442 0.135193 0.134122 0.168554 -0.336787 -0.379625 0.113234 0.150398 0.322664 -0.363456 -0.380871 0.134909 0.128780 0.136930 -0.319800 -0.379262 0.135110 0.135647 0.135202 -0.340351 0.449773 -0.332485 -0.189975 -0.142115 0.135579 -0.254301 0.152876 -0.197513 0.128530 0.128926 0.123857 -0.189435</array>
                     </list>
                     <scalar dataType="xsd:double" dictRef="x:chargesum">-0.00000</scalar>
                  </module>
               </property>
               <property dictRef="cc:multipole">
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                     <array dataType="xsd:double" dictRef="cc:dipole" size="3">0.3757 -5.5289 2.8172</array>
                     <scalar dataType="xsd:double" dictRef="x:dipole">6.2166</scalar>
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                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="3">7.4707 -4.0588 4.5451</array>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="6">5.0966 -2.6836 -2.4131 7.4707 -4.0588 4.5451</array>
                     <array dataType="xsd:double" dictRef="cc:octapole" size="10">17.2267 -59.2540 29.4279 45.8512 -15.3558 -26.2300 -13.3419 -4.6905 28.9254 -36.1292</array>
                     <array dataType="xsd:double" dictRef="cc:hexadecapole" size="15">-13081.1886 -7356.2098 -5383.2344 -304.6835 -748.7197 -402.8668 89.1553 -960.1657 -34.2519 -3232.0345 -2902.6793 -2245.9965 33.3171 -373.9584 -116.2034</array>
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            </propertyList>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="l9999.archive" dictRef="cc:userDefinedModule">
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                     <list dictRef="g:archive">
                        <list dictRef="g:archive1">
                           <scalar dataType="xsd:string" dictRef="cc:hostname">GINC-NODE045</scalar>
                           <formula concise="C 34.0 H 35.0 Cl 1.0 Ni 1.0 O 3.0 P 2.0" formalCharge="0">
                              <atomArray count="34.0 35.0 1.0 1.0 3.0 2.0" elementType="C H Cl Ni O P"/>
                           </formula>
                           <scalar dataType="xsd:string" dictRef="cc:jobname">QHB17144</scalar>
                           <scalar dataType="xsd:date">2024-08-09T00:00:00.000</scalar>
                           <scalar dataType="xsd:string" dictRef="g:zmat">0</scalar>
                        </list>
                        <scalar dataType="xsd:string" dictRef="cc:title">[Ni(Ph)(Cl)(PhPAdDP)]</scalar>
                        <list dictRef="cc:molecule">
                           <list type="chargemult">
                              <scalar dataType="xsd:string" dictRef="x:formalCharge">0</scalar>
                              <scalar dataType="xsd:string" dictRef="x:spinMultiplicity">1</scalar>
                           </list>
                        </list>
                        <list dictRef="g:archive.namevalue">
                           <scalar dataType="xsd:string">Version=ES64L-G16RevC.01</scalar>
                           <scalar dataType="xsd:string">HF=-4193.8356712</scalar>
                           <scalar dataType="xsd:string">RMSD=6.070e-09</scalar>
                           <scalar dataType="xsd:string">Dipole=0.1478101,-2.1752196,1.108354</scalar>
                           <scalar dataType="xsd:string">Quadrupole=3.7892272,-1.9951598,-1.7940674,5.5543161,-3.0175848,3.379162</scalar>
                           <scalar dataType="xsd:string">PG=C01 [X(C34H35Cl1Ni1O3P2)]</scalar>
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