<?xml version='1.0' encoding='UTF-8'?>
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<module dictRef="cc:CMLInfo">
<propertyList>
<property dictRef="cc:CMLVersion">
  <scalar dataType="xsd:string">Version2.1</scalar>
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<property dictRef="cc:date">
  <scalar dataType="xsd:date">2021-01-10T09:50:10Z</scalar>
</property>
</propertyList>
</module> <!-- End of cc:CMLInfo -->
<module dictRef="cc:pubInfo">
<parameterList>
<parameter dictRef="cc:requiredCitation">
<citationList>
  <citation name="Retrievium" />
  <citation name="10.1021/jm300687e" />
</citationList>
</parameter>
<parameter dictRef="cc:acknowledgements">
<acknowledgementList>
  <acknowledgement name="Compute Canada" />
  <acknowledgement name="NSERC" />
</acknowledgementList>
</parameter>
<parameter dictRef="cc:DOI">
  <scalar dataType="xsd:string">10.1021/jm300687e</scalar>
</parameter>
</parameterList>
</module> <!-- End of cc:pubInfo -->
<module dictRef="cc:jobList">
<module dictRef="cc:job" id="optimization">
<module dictRef="cc:environment">
<parameterList>
<parameter dictRef="cc:program">
  <scalar dataType="xsd:string">Gaussian16</scalar>
</parameter>
<parameter dictRef="cc:programVersion">
  <scalar dataType="xsd:string">RevisionB.01</scalar>
</parameter>
<parameter dictRef="cc:Owner">
  <scalar dataType="xsd:string">PWARBURT</scalar>
</parameter>
</parameterList>
<propertyList>
<property dictRef="cc:runDate">
  <scalar dataType="xsd:runDate">25-Dec-2020</scalar>
</property>
</propertyList>
</module> <!-- End of cc:environment -->
<module id="initialization" dictRef="cc:initialization">
<parameterList>
<parameter dictRef="cc:commandLine">
  <scalar dataType="xsd:string">#N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2)</scalar>
</parameter>
<parameter dictRef="cc:title">
  <scalar dataType="xsd:string" cmlx:templateRef="title">DUDE Cc1ccc(c(c1F)F)C(=O)N2C[C@H](C3(C2)CC[NH2+]CC3)C(=O)N[C@@H]4C[NH+]5CCC4CC5 C39663138</scalar>
</parameter>
<parameter dictRef="cc:method">
  <scalar dataType="xsd:string">RHF</scalar>
</parameter>
<parameter dictRef="cc:basisSetLabel">
  <scalar dataType="xsd:string">6-31G(d)</scalar>
</parameter>
<parameter dictRef="cc:polarization">
  <scalar dataType="xsd:string">(6D,7F)</scalar>
</parameter>
</parameterList>
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<propertyList>
<property dictRef="id:smiles" xmlns:id="http://www.xml-cml.org/dictionary/identifier/">
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<property dictRef="cc:frameWorkGroup">
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</property>
<property dictRef="cc:degreeOfFreedom">
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</property>
<property dictRef="cc:pointGroup">
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<property dictRef="cc:basiscount">
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</property>
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</molecule>
<module dictRef="retrievium:chemicalIdentifiers">
<propertyList>
<property dictRef="retrievium:inputSMILES">
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</property>
<property dictRef="retrievium:initialCanonicalSMILES">
  <scalar dataType="xsd:string">O=C([C@@H]1CN(CC21CC[NH2+]CC2)C(=O)c1ccc(c(c1F)F)C)N[C@@H]1C[NH+]2CCC1CC2</scalar>
</property>
<property dictRef="retrievium:initialIsomericSMILES">
  <scalar dataType="xsd:string">Cc1ccc(c(F)c1F)C(=O)N2C[C@@H](C(=O)N[C@@H]3C[NH+]4CCC3CC4)C5(CC[NH2+]CC5)C2</scalar>
</property>
<property dictRef="retrievium:initialStdInChIKey">
  <scalar dataType="xsd:string">InChIKey=UYKKSJHHJLVJRI-RBUKOAKNSA-P</scalar>
</property>
<property dictRef="retrievium:initialStdInChI">
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</property>
<property dictRef="retrievium:initialInChI">
  <scalar dataType="xsd:string">InChI=1/C24H32F2N4O2/c1-15-2-3-17(21(26)20(15)25)23(32)30-12-18(24(14-30)6-8-27-9-7-24)22(31)28-19-13-29-10-4-16(19)5-11-29/h2-3,16,18-19,27H,4-14H2,1H3,(H,28,31)/p+2/t18-,19+/m0/s1/fC24H34F2N4O2/h27-29H/q+2</scalar>
</property>
</propertyList>
</module>
</module> <!-- end of cc:initialization -->
<module id="finalization" dictRef="cc:finalization">
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  <atom id="a65" elementType="H" x3="7.3109509143" y3="3.2133320819" z3="0.4182611493" />
  <atom id="a66" elementType="H" x3="7.0246049906" y3="1.6078056583" z3="1.0591107371" />
</atomArray>
<formula formalCharge="2" concise="C 24 H 34 N 4 O 2 F 2" />
<elementList>
  <elementType id="C" count="24" />
  <elementType id="H" count="34" />
  <elementType id="N" count="4" />
  <elementType id="O" count="2" />
  <elementType id="F" count="2" />
</elementList>
<propertyList>
<property dictRef="id:smiles" xmlns:id="http://www.xml-cml.org/dictionary/identifier/">
  <scalar dataType="xsd:string">Cc1ccc(c(c1F)F)C(=O)N2C[C@H](C3(C2)CC[NH2+]CC3)C(=O)N[C@@H]4C[NH+]5CCC4CC5</scalar>
</property>
<property dictRef="cc:frameWorkGroup">
  <scalar dataType="xsd:string">C01[X(C24H34F2N4O2)]</scalar>
</property>
<property dictRef="cc:degreeOfFreedom">
  <scalar dataType="xsd:string">192</scalar>
</property>
<property dictRef="cc:pointGroup">
  <scalar dataType="xsd:string">C01</scalar>
</property>
<property dictRef="cc:basiscount">
  <scalar dataType="xsd:integer">548</scalar>
</property>
</propertyList>
<bondArray>
  <bond atomRefs2="a2 a1" id="a2_a1" order="S" />
  <bond atomRefs2="a1 a38" id="a1_a38" order="S" />
  <bond atomRefs2="a1 a39" id="a1_a39" order="S" />
  <bond atomRefs2="a1 a40" id="a1_a40" order="S" />
  <bond atomRefs2="a2 a3" id="a2_a3" order="A" />
  <bond atomRefs2="a2 a7" id="a2_a7" order="A" />
  <bond atomRefs2="a3 a4" id="a3_a4" order="A" />
  <bond atomRefs2="a3 a41" id="a3_a41" order="S" />
  <bond atomRefs2="a4 a5" id="a4_a5" order="A" />
  <bond atomRefs2="a4 a42" id="a4_a42" order="S" />
  <bond atomRefs2="a5 a6" id="a5_a6" order="A" />
  <bond atomRefs2="a5 a10" id="a5_a10" order="S" />
  <bond atomRefs2="a6 a7" id="a6_a7" order="A" />
  <bond atomRefs2="a9 a6" id="a9_a6" order="S" />
  <bond atomRefs2="a8 a7" id="a8_a7" order="S" />
  <bond atomRefs2="a11 a10" id="a11_a10" order="D" />
  <bond atomRefs2="a12 a10" id="a12_a10" order="S" />
  <bond atomRefs2="a12 a13" id="a12_a13" order="S" />
  <bond atomRefs2="a12 a17" id="a12_a17" order="S" />
  <bond atomRefs2="a13 a14" id="a13_a14" order="S" />
  <bond atomRefs2="a13 a43" id="a13_a43" order="S" />
  <bond atomRefs2="a13 a44" id="a13_a44" order="S" />
  <bond atomRefs2="a14 a15" id="a14_a15" order="S" />
  <bond atomRefs2="a14 a16" id="a14_a16" order="S" />
  <bond atomRefs2="a25 a14" id="a25_a14" order="S" />
  <bond atomRefs2="a16 a17" id="a16_a17" order="S" />
  <bond atomRefs2="a16 a18" id="a16_a18" order="S" />
  <bond atomRefs2="a16 a24" id="a16_a24" order="S" />
  <bond atomRefs2="a17 a45" id="a17_a45" order="S" />
  <bond atomRefs2="a17 a46" id="a17_a46" order="S" />
  <bond atomRefs2="a18 a19" id="a18_a19" order="S" />
  <bond atomRefs2="a18 a47" id="a18_a47" order="S" />
  <bond atomRefs2="a18 a48" id="a18_a48" order="S" />
  <bond atomRefs2="a20 a19" id="a20_a19" order="S" />
  <bond atomRefs2="a19 a49" id="a19_a49" order="S" />
  <bond atomRefs2="a19 a50" id="a19_a50" order="S" />
  <bond atomRefs2="a20 a21" id="a20_a21" order="S" />
  <bond atomRefs2="a20 a22" id="a20_a22" order="S" />
  <bond atomRefs2="a20 a23" id="a20_a23" order="S" />
  <bond atomRefs2="a23 a24" id="a23_a24" order="S" />
  <bond atomRefs2="a23 a51" id="a23_a51" order="S" />
  <bond atomRefs2="a23 a52" id="a23_a52" order="S" />
  <bond atomRefs2="a24 a53" id="a24_a53" order="S" />
  <bond atomRefs2="a24 a54" id="a24_a54" order="S" />
  <bond atomRefs2="a26 a25" id="a26_a25" order="D" />
  <bond atomRefs2="a27 a25" id="a27_a25" order="S" />
  <bond atomRefs2="a27 a28" id="a27_a28" order="S" />
  <bond atomRefs2="a27 a55" id="a27_a55" order="S" />
  <bond atomRefs2="a28 a29" id="a28_a29" order="S" />
  <bond atomRefs2="a28 a30" id="a28_a30" order="S" />
  <bond atomRefs2="a28 a35" id="a28_a35" order="S" />
  <bond atomRefs2="a31 a30" id="a31_a30" order="S" />
  <bond atomRefs2="a30 a56" id="a30_a56" order="S" />
  <bond atomRefs2="a30 a57" id="a30_a57" order="S" />
  <bond atomRefs2="a31 a32" id="a31_a32" order="S" />
  <bond atomRefs2="a31 a33" id="a31_a33" order="S" />
  <bond atomRefs2="a31 a37" id="a31_a37" order="S" />
  <bond atomRefs2="a33 a34" id="a33_a34" order="S" />
  <bond atomRefs2="a33 a58" id="a33_a58" order="S" />
  <bond atomRefs2="a33 a59" id="a33_a59" order="S" />
  <bond atomRefs2="a34 a35" id="a34_a35" order="S" />
  <bond atomRefs2="a34 a60" id="a34_a60" order="S" />
  <bond atomRefs2="a34 a61" id="a34_a61" order="S" />
  <bond atomRefs2="a35 a36" id="a35_a36" order="S" />
  <bond atomRefs2="a35 a62" id="a35_a62" order="S" />
  <bond atomRefs2="a36 a37" id="a36_a37" order="S" />
  <bond atomRefs2="a36 a63" id="a36_a63" order="S" />
  <bond atomRefs2="a36 a64" id="a36_a64" order="S" />
  <bond atomRefs2="a37 a65" id="a37_a65" order="S" />
  <bond atomRefs2="a37 a66" id="a37_a66" order="S" />
</bondArray>
</molecule>
<module dictRef="retrievium:chemicalIdentifiers">
<propertyList>
<property dictRef="retrievium:inputSMILES">
  <scalar dataType="xsd:string">O=C([C@@H]1CN(CC21CC[NH2+]CC2)C(=O)c1ccc(c(c1F)F)C)N[C@@H]1C[NH+]2CCC1CC2</scalar>
</property>
<property dictRef="retrievium:finalCanonicalSMILES">
  <scalar dataType="xsd:string">O=C([C@@H]1CN(CC21CC[NH2]CC2)C(=O)[C]1[CH][CH][C]([C]([C]1F)F)C)N[C@@H]1C[N@@H]2CC[C@H]1CC2</scalar>
</property>
<property dictRef="retrievium:finalIsomericSMILES">
  <scalar dataType="xsd:string">C[C]1[CH][CH][C]([C](F)[C]1F)C(=O)N2C[C@@H](C(=O)N[C@@H]3C[NH]4CCC3CC4)C5(CC[NH2]CC5)C2</scalar>
</property>
<property dictRef="retrievium:finalStdInChIKey">
  <scalar dataType="xsd:string">InChIKey=UQDGDJSHXWSPMD-RBUKOAKNSA-N</scalar>
</property>
<property dictRef="retrievium:finalStdInChI">
  <scalar dataType="xsd:string">InChI=1S/C24H34F2N4O2/c1-15-2-3-17(21(26)20(15)25)23(32)30-12-18(24(14-30)6-8-27-9-7-24)22(31)28-19-13-29-10-4-16(19)5-11-29/h2-3,16,18-19,29H,4-14,27H2,1H3,(H,28,31)/t18-,19+/m0/s1</scalar>
</property>
<property dictRef="retrievium:finalInChI">
  <scalar dataType="xsd:string">InChI=1/C24H34F2N4O2/c1-15-2-3-17(21(26)20(15)25)23(32)30-12-18(24(14-30)6-8-27-9-7-24)22(31)28-19-13-29-10-4-16(19)5-11-29/h2-3,16,18-19,29H,4-14,27H2,1H3,(H,28,31)/t18-,19+/m0/s1/f/h28H</scalar>
</property>
</propertyList>
</module>
<module dictRef="cc:QMEnergies">
<propertyList>
<property dictRef="cc:nucRepulsion">
  <scalar dataType="xsd:double" units="nonSI:hartree">3455.9441357826</scalar>
</property>
<property dictRef="cc:HF">
  <scalar dataType="xsd:double" units="nonSI:hartree">-1494.5868567</scalar>
</property>
</propertyList>
</module> <!-- End of cc:QMEnergies -->
<propertyList>
<property dictRef="cc:electronicstate">
  <scalar dataType="xsd:string">1-A</scalar>
</property>
<property dictRef="cc:spatialExtent">
  <scalar dataType="xsd:double" units="nonSI:bohr2">18109.8124</scalar>
</property>
</propertyList>
<module dictRef="cc:orbitals">
<propertyList>
<property dictRef="cc:numoccOrb">
  <scalar dataType="xsd:integer" units="SI:none">119</scalar>
</property>
<property dictRef="cc:numVirtOrb">
  <scalar dataType="xsd:integer" units="SI:none">429</scalar>
</property>
<property dictRef="cc:numOrbitals">
  <scalar dataType="xsd:integer" units="SI:none">548</scalar>
</property>
<table tableType="columnBased" rows="548" columns="3">
<arrayList>
  <array delimiter="|" dataType="xsd:string" dictRef="cc:occSymmmetry" size="119">|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|</array>
  <array dataType="xsd:double" dictRef="cc:occEigenvalues" units="nonSI:hartree" size="119">-26.47398 -26.45422 -20.74528 -20.70456 -15.92191 -15.92027 -15.80758 -15.76766 -11.56593 -11.52886 -11.51466 -11.51267 -11.51212 -11.51159 -11.50590 -11.50472 -11.48506 -11.47050 -11.46812 -11.46773 -11.46416 -11.45925 -11.45595 -11.45506 -11.45141 -11.44829 -11.44460 -11.40849 -11.40164 -11.40018 -11.38640 -11.35535 -1.79349 -1.77016 -1.61595 -1.57566 -1.57015 -1.55607 -1.46021 -1.45308 -1.33617 -1.33193 -1.32429 -1.27752 -1.27573 -1.27461 -1.24040 -1.22248 -1.18066 -1.17610 -1.12856 -1.12404 -1.12164 -1.10920 -1.10574 -1.09383 -1.07233 -1.02694 -1.00843 -1.00661 -1.00179 -1.00113 -0.98018 -0.96180 -0.94732 -0.94035 -0.92997 -0.92766 -0.91418 -0.90696 -0.89306 -0.88328 -0.87648 -0.86497 -0.86122 -0.85594 -0.84919 -0.84052 -0.83631 -0.83049 -0.82669 -0.82236 -0.82012 -0.81284 -0.80543 -0.80407 -0.80299 -0.79341 -0.78834 -0.78149 -0.77799 -0.77728 -0.77588 -0.76684 -0.76325 -0.75127 -0.74227 -0.73384 -0.73239 -0.72861 -0.72659 -0.71167 -0.70862 -0.69648 -0.69253 -0.68984 -0.68522 -0.68268 -0.67465 -0.67150 -0.66587 -0.66086 -0.64272 -0.62646 -0.61631 -0.59624 -0.55679 -0.48831 -0.48481</array>
  <array delimiter="|" dataType="xsd:string" dictRef="cc:virtSymmmetry" size="429">|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|</array>
  <array dataType="xsd:double" dictRef="cc:virtEigenvalues" units="nonSI:hartree" size="429">-0.04642 -0.04529 -0.03649 -0.02218 -0.00421 0.00088 0.00701 0.02115 0.02434 0.02509 0.03441 0.03983 0.04582 0.05242 0.05504 0.06150 0.06521 0.07047 0.07522 0.07955 0.08528 0.09037 0.09471 0.09957 0.10087 0.10621 0.10979 0.11305 0.11396 0.11516 0.12399 0.13172 0.13327 0.13739 0.13895 0.14262 0.15388 0.15875 0.16334 0.16694 0.16936 0.17380 0.17965 0.18339 0.18590 0.18642 0.18782 0.19765 0.20239 0.21046 0.21348 0.22207 0.22885 0.24176 0.24612 0.25776 0.25949 0.26704 0.27229 0.28062 0.28875 0.30789 0.31278 0.31405 0.32217 0.35194 0.37126 0.37789 0.38814 0.39983 0.42605 0.45162 0.46176 0.46556 0.47431 0.48189 0.48617 0.49341 0.49768 0.50682 0.52465 0.52905 0.53366 0.54660 0.55177 0.55360 0.55838 0.57396 0.58305 0.58773 0.59300 0.59969 0.60022 0.60768 0.61493 0.61639 0.62602 0.62978 0.63317 0.63902 0.64386 0.64484 0.65564 0.66149 0.67077 0.67652 0.68006 0.68515 0.70126 0.70298 0.70766 0.70983 0.71926 0.72252 0.72903 0.73722 0.74753 0.74933 0.75216 0.76814 0.77400 0.77893 0.78789 0.79692 0.80103 0.80818 0.81357 0.81932 0.82313 0.83041 0.84014 0.84346 0.85106 0.85427 0.85914 0.86461 0.86822 0.87386 0.87539 0.88109 0.88450 0.88851 0.89241 0.89639 0.89922 0.90407 0.90740 0.91271 0.91784 0.92553 0.92779 0.93135 0.93408 0.94304 0.94610 0.95167 0.95791 0.96221 0.96820 0.97127 0.97478 0.97941 0.98318 0.98570 0.99046 0.99475 1.00080 1.01094 1.01379 1.01991 1.02629 1.02940 1.03215 1.03765 1.04880 1.05537 1.06057 1.06540 1.06827 1.07280 1.08721 1.09021 1.09458 1.10052 1.11964 1.12852 1.13468 1.14290 1.14870 1.15960 1.17323 1.18241 1.20728 1.22939 1.23386 1.24223 1.24889 1.25881 1.26728 1.28489 1.29065 1.31105 1.31614 1.32489 1.33412 1.34334 1.34456 1.35612 1.35708 1.37454 1.38469 1.40135 1.40358 1.41488 1.44030 1.45560 1.46510 1.47949 1.48689 1.48963 1.50253 1.51038 1.52269 1.52874 1.54169 1.54452 1.55861 1.58359 1.58510 1.59647 1.60623 1.61210 1.63489 1.65059 1.65332 1.67263 1.67749 1.68458 1.71376 1.71694 1.72150 1.72620 1.74342 1.75055 1.76750 1.77422 1.79477 1.80587 1.81712 1.82359 1.82609 1.84023 1.85315 1.86961 1.87787 1.88062 1.89033 1.89381 1.90932 1.91558 1.92201 1.93630 1.93762 1.94723 1.95682 1.96324 1.97516 1.98065 1.98240 1.98584 1.99453 2.00179 2.00629 2.00896 2.01967 2.02043 2.02362 2.02897 2.03317 2.04228 2.04707 2.05962 2.07519 2.07992 2.08310 2.08685 2.09154 2.10148 2.10628 2.11201 2.12414 2.12821 2.13360 2.13591 2.13953 2.14335 2.14623 2.15334 2.17555 2.18170 2.19386 2.19949 2.20354 2.21890 2.22659 2.24337 2.24633 2.25386 2.25902 2.26742 2.27449 2.28803 2.28949 2.29925 2.30570 2.32824 2.33654 2.34714 2.35283 2.37140 2.37931 2.39084 2.42279 2.42633 2.44029 2.44553 2.46285 2.46936 2.47208 2.47788 2.49032 2.49424 2.49852 2.50442 2.51250 2.51683 2.52208 2.52712 2.53038 2.53750 2.54085 2.55185 2.56194 2.56572 2.57010 2.58013 2.58384 2.59429 2.60744 2.62124 2.63978 2.64980 2.65660 2.68136 2.71023 2.71732 2.73443 2.74076 2.76452 2.77772 2.78035 2.78801 2.80340 2.80530 2.81798 2.82277 2.82979 2.83255 2.84968 2.85969 2.86469 2.87568 2.88408 2.88928 2.90269 2.91494 2.94614 2.94922 2.95928 2.97400 3.00878 3.02285 3.03284 3.04854 3.08797 3.10699 3.11973 3.16757 3.22917 3.23491 3.25586 3.32877 3.36206 3.39372 3.40748 3.56714 3.70983 4.06978 4.23939 4.29371 4.33327 4.35829 4.38309 4.41440 4.42609 4.44087 4.45515 4.48362 4.49644 4.50428 4.53856 4.57207 4.61817 4.62407 4.63323 4.66700 4.70571 4.71576 4.75114 4.77845 4.78621 4.84299 4.85673 4.89680 5.03267 5.07940 5.09085 5.34238 6.70450</array>
</arrayList>
</table>
<property dictRef="cc:HOMO-LUMO">
  <scalar dataType="xsd:double" units="nonSI:eV">11.92910</scalar>
</property>
</propertyList>
</module> <!-- End of cc:orbitals -->
<module dictRef="cc:moments">
<propertyList>
<property dictRef="cc:dipoleMomentVector">
  <array dataType="xsd:double" units="nonSI:debye" size="3">21.5827 6.4658 2.1318</array>
</property>
<property dictRef="cc:dipoleMomentTotal">
  <scalar dataType="xsd:double" units="nonSI:debye">22.6310</scalar>
</property>
<property dictRef="cc:quadrupoleMoment">
<table tableType="columnBased" rows="6" columns="2">
<arrayList>
  <array dataType="xsd:string" dictRef="cc:coordinateLabel" delimiter="|" size="6">|XX|YY|ZZ|XY|XZ|YZ|</array>
  <array dataType="xsd:double" units="nonSI:debye.angstroms" size="6">-30.3089 -40.9438 -168.8071 -46.5653 -4.6963 24.6013</array>
</arrayList>
</table>
</property>
<property dictRef="cc:tracelessQuadrupoleMoment">
<table tableType="columnBased" rows="6" columns="2">
<arrayList>
  <array dataType="xsd:string" dictRef="cc:coordinateLabel" delimiter="|" size="6">|XX|YY|ZZ|XY|XZ|YZ|</array>
  <array dataType="xsd:double" units="nonSI:debye.angstroms" size="6">49.7110 39.0762 -88.7872 -46.5653 -4.6963 24.6013</array>
</arrayList>
</table>
</property>
<property dictRef="cc:octapole_Moment">
<table tableType="columnBased" rows="10" columns="2">
<arrayList>
  <array dataType="xsd:string" dictRef="cc:coordinateLabel" delimiter="|" size="10">|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|</array>
  <array dataType="xsd:double" units="nonSI:debye.angstroms2" size="10">856.2824 450.4647 15.8632 -70.5260 -330.4368 -47.4248 53.0744 5.6597 52.2045 -16.1689</array>
</arrayList>
</table>
</property>
<property dictRef="cc:hexadecapole_Moment">
<table tableType="columnBased" rows="15" columns="2">
<arrayList>
  <array dataType="xsd:string" dictRef="cc:hexadecapole_Moment" delimiter="|" size="15">|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY|</array>
  <array dataType="xsd:double" units="nonSI:debye.angstroms3" size="15">-9665.7570 -3241.1550 -1205.5262 -1121.6781 -406.9984 -574.9015 379.0090 -111.9327 56.8506 -2449.5528 -2524.6379 -1149.7431 259.9882 -132.7773 -126.9844</array>
</arrayList>
</table>
</property>
</propertyList>
</module> <!-- End of cc:moments -->
</module> <!-- End of cc:finalization -->
</module> <!-- End of cc:job -->
<module dictRef="cc:job" id="frequencies">
<module id="finalization" dictRef="cc:finalization">
<module dictRef="cc:frequencyAnalysis">
<propertyList>
<property dictRef="cc:numImaginaryFrequencies">
  <scalar dataType="xsd:integer" units="SI:none">0</scalar>
</property>
<property dictRef="cc:forceConstantMatrix">
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  <array delimiter="|" dataType="xsd:string" dictRef="cc:irrep" size="192">|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|</array>
  <array dataType="xsd:double" dictRef="cc:frequency" units="SI:cm-1" size="192">15.2937 16.0302 24.1389 29.9326 40.4914 53.1006 67.7090 84.1672 93.4424 97.3761 106.8025 128.2918 147.6131 159.6994 163.7177 166.6054 178.9589 217.3768 234.5897 259.2002 282.2168 288.8328 300.0058 308.3592 312.9416 326.8850 334.5544 347.0770 355.4928 376.5165 397.4844 415.0280 431.0852 443.1484 471.8871 482.0268 488.4972 501.9622 531.2432 550.6930 564.6735 571.2649 578.0191 607.8918 622.5468 626.1026 657.2474 668.2539 691.2578 716.9697 741.9330 771.7005 807.1177 819.3128 826.9226 837.8870 851.7345 857.7982 861.6492 877.0428 879.4628 887.8895 899.8016 932.6278 935.7609 942.3379 943.7528 957.7433 970.7511 979.5117 1013.5738 1027.6216 1038.0743 1042.2883 1052.1373 1055.7032 1072.8987 1078.9361 1087.5914 1088.5785 1091.6400 1110.1628 1123.4929 1134.2788 1142.1226 1142.7910 1149.5998 1169.5479 1170.6120 1175.8922 1194.2874 1216.2031 1232.5494 1240.4344 1247.5614 1263.5982 1289.5269 1299.1968 1310.7540 1314.0654 1319.2048 1321.9036 1334.7830 1341.4026 1362.6583 1365.2322 1378.9849 1381.2164 1390.1936 1399.0777 1410.1326 1417.9268 1432.9247 1433.4773 1450.6208 1452.1764 1457.8691 1462.7765 1475.3345 1485.5878 1499.5704 1500.9298 1504.6150 1507.3545 1523.8301 1529.5874 1543.1054 1545.4043 1554.6465 1558.5925 1564.4206 1570.6328 1572.2025 1574.1581 1586.9501 1591.4129 1598.0055 1620.4564 1625.2917 1634.4933 1635.7177 1639.1130 1642.9005 1647.7306 1651.4610 1654.7947 1656.0247 1659.3437 1667.3985 1669.8920 1675.6746 1678.4265 1687.8324 1778.8426 1828.4653 1832.9757 1937.1089 1942.4685 3196.4031 3204.8453 3225.1462 3243.4899 3247.6864 3248.7903 3255.8854 3258.4561 3263.7643 3271.3170 3283.1986 3283.7920 3286.0309 3287.8176 3293.5740 3300.5177 3302.4424 3305.6841 3310.8552 3318.5494 3325.6606 3332.6941 3340.5687 3342.0219 3345.2465 3358.6057 3371.1039 3378.7012 3379.8612 3395.9498 3663.4090 3709.0544 3724.7070 3867.8536</array>
  <array dataType="xsd:double" dictRef="cc:redmass" units="nonSI:dalton" size="192">5.3615 5.9609 4.2623 5.1707 4.6565 3.9001 3.9465 4.4879 1.2076 2.7544 3.2846 3.3753 4.1377 5.8217 3.5861 5.1616 4.7864 3.6691 3.8883 3.6945 2.7107 3.1689 3.7562 2.8044 3.0913 5.6057 5.3618 4.7200 2.9335 2.9304 2.5766 2.4489 2.6524 3.2949 2.0455 2.9124 1.4680 2.9242 9.2917 3.0747 3.8563 3.7196 3.2571 4.1847 4.2139 3.4663 4.5057 5.6130 3.0260 5.2930 6.2851 4.2029 6.2120 4.2609 4.0387 3.7522 4.1863 4.9492 2.7981 1.6857 1.5797 2.4984 1.9748 1.4637 1.5652 1.7441 2.4403 2.5141 3.8704 3.5451 2.2825 2.7349 3.0369 2.5090 2.3882 2.0272 2.3452 1.8963 1.7454 1.4590 2.2546 2.3357 2.3970 2.3667 2.0919 2.4743 2.3802 2.0473 1.6763 2.1456 2.2890 2.3068 1.4847 2.2756 1.9682 1.8042 1.7786 2.3480 1.3226 1.4798 2.1139 1.9606 1.2193 1.4311 1.4608 1.4927 2.0775 1.5440 1.8813 1.1220 1.0805 2.2152 2.1349 1.3772 1.2603 1.2506 1.2951 1.3919 1.3994 1.3806 1.3955 1.3377 1.3823 1.4386 1.4916 1.4979 1.3586 1.3920 2.1004 1.5668 1.4644 1.4619 1.2413 1.4366 1.3849 1.3599 1.4045 1.3206 1.0430 1.0859 1.0930 1.0804 1.0890 1.0864 1.0872 1.1018 1.1051 2.8422 1.1509 1.7230 1.5272 1.1097 1.7925 7.7377 1.0763 8.0372 9.2439 11.5401 1.0754 1.0752 1.0366 1.0871 1.0871 1.0697 1.0685 1.0623 1.0732 1.0819 1.0618 1.0615 1.0636 1.1029 1.0635 1.1077 1.1081 1.0622 1.1042 1.0904 1.0919 1.0994 1.1116 1.1119 1.1121 1.1107 1.1127 1.0902 1.0960 1.0962 1.0561 1.0793 1.0962 1.0794</array>
  <array dataType="xsd:double" dictRef="cc:forceconst" units="nonSI:mdyn.Angstrom-1" size="192">0.0007 0.0009 0.0015 0.0027 0.0045 0.0065 0.0107 0.0187 0.0062 0.0154 0.0221 0.0327 0.0531 0.0875 0.0566 0.0844 0.0903 0.1021 0.1261 0.1462 0.1272 0.1558 0.1992 0.1571 0.1784 0.3529 0.3536 0.3350 0.2184 0.2448 0.2398 0.2485 0.2904 0.3812 0.2684 0.3987 0.2064 0.4341 1.5450 0.5494 0.7245 0.7152 0.6412 0.9111 0.9622 0.8006 1.1467 1.4768 0.8519 1.6031 2.0384 1.4747 2.3843 1.6852 1.6271 1.5521 1.7893 2.1456 1.2240 0.7639 0.7199 1.1604 0.9420 0.7501 0.8075 0.9125 1.2806 1.3587 2.1489 2.0040 1.3815 1.7016 1.9281 1.6059 1.5577 1.3311 1.5905 1.3006 1.2164 1.0187 1.5830 1.6961 1.7826 1.7941 1.6077 1.9038 1.8533 1.6499 1.3534 1.7480 1.9236 2.0104 1.3289 2.0630 1.8048 1.6973 1.7426 2.3351 1.3388 1.5055 2.1675 2.0186 1.2799 1.5172 1.5982 1.6392 2.3276 1.7355 2.1421 1.2940 1.2659 2.6240 2.5827 1.6674 1.5625 1.5539 1.6218 1.7547 1.7946 1.7952 1.8490 1.7756 1.8438 1.9259 2.0407 2.0649 1.9061 1.9588 2.9910 2.2425 2.1117 2.1248 1.8078 2.0974 2.0549 2.0292 2.1131 2.0431 1.6234 1.7092 1.7231 1.7103 1.7318 1.7379 1.7471 1.7777 1.7856 4.6108 1.8852 2.8308 2.5265 1.8419 3.0086 14.4257 2.1201 15.9099 20.4367 25.6548 6.4733 6.5068 6.3527 6.7380 6.7555 6.6520 6.6739 6.6457 6.7352 6.8219 6.7434 6.7443 6.7667 7.0240 6.7974 7.1096 7.1203 6.8387 7.1317 7.0753 7.1155 7.1947 7.3084 7.3173 7.3326 7.3820 7.4504 7.3324 7.3767 7.4487 8.3508 8.7481 8.9600 9.5140</array>
  <array dataType="xsd:double" dictRef="cc:irintensity" units="nonSI:km.mol-1" size="192">4.1619 0.0473 0.1527 5.1288 6.6371 6.2813 8.8574 10.3019 1.5729 0.8214 2.1001 0.1286 1.7666 0.6869 4.2724 4.6248 6.1069 8.4531 3.5602 17.5171 6.3301 0.5491 3.5065 10.4100 2.9551 5.2054 0.9255 6.0106 1.9950 10.5319 1.1347 4.9093 4.1524 5.6887 16.7232 27.7547 43.7409 2.7117 1.9666 4.1808 2.4833 4.5772 1.6721 1.4715 2.9752 3.8758 22.5310 2.6883 5.6241 11.7152 21.8453 22.7780 0.9994 9.7096 8.0372 4.9411 1.7685 20.6402 0.3914 3.1916 2.5443 1.9801 17.0288 46.4801 9.9471 0.8536 3.0301 7.9987 26.4061 15.4372 3.0605 14.4630 26.9386 4.1763 14.0064 18.1999 12.9509 23.6026 11.4283 5.6144 6.4332 0.8688 7.1356 14.6520 12.6538 17.0302 23.0245 11.1335 4.7735 4.5128 4.2090 17.2103 3.9825 12.2475 5.4299 3.2075 41.1097 30.4070 23.7623 31.7070 86.1818 64.0312 5.8873 22.0258 9.3775 31.7155 11.5300 7.6645 16.0026 7.0764 2.1500 33.8118 145.9091 24.0002 4.9676 70.3655 53.4812 6.0912 28.3501 24.8007 4.9464 23.1454 7.4874 21.4643 4.9714 31.3751 11.6085 1.3560 249.8935 120.8355 44.1953 25.2000 1.1649 5.8130 54.7469 34.4100 71.7806 26.8482 8.3566 2.4565 2.7350 0.1146 11.3830 15.2872 12.0509 0.6691 13.4356 207.3796 8.7421 66.1320 14.5246 35.7665 319.5398 6.2033 104.1447 43.2823 135.3952 419.9445 1.5006 39.9809 15.0282 20.9269 10.2054 33.9562 2.4841 12.1117 15.6059 23.9562 7.9385 5.0146 4.1547 9.5449 1.8840 4.4146 8.4487 2.4227 13.1957 0.5067 1.3458 10.0302 2.2143 4.2897 6.8593 1.1793 1.4140 3.7085 4.7649 4.8300 91.1933 85.1752 81.0074 40.2150</array>
  <array dataType="xsd:double" dictRef="cc:ramanActive" units="nonSI:Angstrom4.amu-1" size="192">0.9399 2.1564 0.4516 0.3641 1.3567 0.7253 0.3148 0.2156 0.4868 0.2301 0.3089 0.4682 0.3266 0.4695 0.8519 0.3411 0.9903 1.0452 0.4334 0.3872 0.8882 0.4503 1.4951 0.5818 0.1477 1.7563 3.1534 2.0780 0.5045 0.6044 0.6891 0.4866 0.4117 3.4470 2.2811 1.0624 1.4256 0.7726 3.7189 1.0619 2.0416 0.8530 2.0571 0.7574 0.3709 4.0895 2.6205 1.5917 0.6943 2.3653 22.4894 1.0860 13.4355 15.8676 3.1816 6.6967 6.2999 1.3199 2.0487 3.7962 1.5348 5.0840 1.6137 0.7190 0.6649 0.6757 1.8922 2.0574 7.0450 4.7231 2.1103 2.3792 3.4614 5.1526 2.3535 1.9888 2.0606 1.9031 1.8078 0.3052 4.3210 4.0846 9.4951 6.3203 4.2782 8.8366 1.2019 1.1361 0.4721 6.5869 3.9823 2.1192 5.7912 2.9272 3.3628 4.6697 7.2848 2.1201 2.5645 2.4952 3.4051 4.9263 1.4116 1.9667 2.3498 3.0532 4.1149 5.4227 8.9436 5.9542 16.1435 10.5331 13.6251 7.5306 3.2326 5.3491 15.8919 1.4230 3.1062 1.2385 0.3194 2.6479 5.0000 0.2506 0.4477 4.5665 2.2823 1.4783 6.5566 2.7528 2.3539 2.5181 16.1324 2.2232 0.5183 2.8022 0.2336 10.5930 19.6685 9.3403 17.5039 14.0530 6.4111 2.4529 4.4843 2.0060 8.5266 9.2636 11.5113 3.9479 5.3488 1.8623 2.4327 2.9898 5.9029 75.1304 2.7505 27.9578 4.3938 101.0294 179.5702 39.8388 34.0887 54.6345 76.1446 23.8841 64.6376 90.7614 15.3929 94.2163 181.6858 95.8269 85.2051 33.8928 82.8488 79.7706 64.8777 72.8822 58.0787 52.5215 20.9914 57.7163 105.0374 30.8825 38.3452 40.0099 47.4836 110.1252 78.9105 65.5308 51.0874 27.7998</array>
  <array dataType="xsd:double" dictRef="cc:depolarP" units="nonSI:amu" size="192">0.7191 0.7456 0.7496 0.6309 0.7301 0.6948 0.7205 0.6728 0.7483 0.6807 0.7445 0.7256 0.5476 0.5261 0.2411 0.7270 0.1303 0.5650 0.5057 0.2600 0.3803 0.7500 0.4362 0.7131 0.2001 0.7052 0.6923 0.5544 0.5297 0.6759 0.4840 0.4248 0.2622 0.3649 0.7307 0.1955 0.5095 0.4035 0.6444 0.6544 0.6822 0.0991 0.2624 0.3039 0.7469 0.1266 0.4790 0.6826 0.5822 0.2008 0.0911 0.6347 0.0784 0.0316 0.0410 0.0556 0.1288 0.1281 0.2287 0.3175 0.6647 0.1884 0.5872 0.7300 0.4431 0.3045 0.6097 0.6392 0.0907 0.2073 0.3385 0.6915 0.3351 0.7344 0.7497 0.5886 0.7459 0.4506 0.6398 0.5697 0.7178 0.1961 0.5161 0.6339 0.7494 0.7462 0.3181 0.5223 0.6758 0.7447 0.7169 0.5218 0.6267 0.7345 0.4842 0.6818 0.7482 0.7445 0.6736 0.6348 0.4009 0.6735 0.5504 0.5974 0.1556 0.2989 0.2837 0.7325 0.7440 0.6686 0.7499 0.2024 0.2488 0.4577 0.6313 0.7150 0.6934 0.7078 0.6939 0.7499 0.5039 0.7274 0.7500 0.7486 0.4882 0.7412 0.7342 0.7359 0.5830 0.6467 0.6469 0.6934 0.4637 0.7187 0.7173 0.7156 0.5712 0.7310 0.7475 0.7399 0.7323 0.7478 0.7357 0.6800 0.7486 0.7077 0.7336 0.4759 0.6676 0.6438 0.5126 0.2315 0.6880 0.7261 0.7177 0.5056 0.6953 0.1121 0.5976 0.2083 0.0397 0.1752 0.3587 0.1880 0.3369 0.7467 0.1515 0.0838 0.6289 0.1586 0.0426 0.7369 0.1782 0.4304 0.7409 0.0462 0.7446 0.2846 0.2778 0.4277 0.6930 0.6786 0.7162 0.6798 0.7139 0.7416 0.4428 0.1739 0.1279 0.2866 0.6873 0.1428</array>
  <array dataType="xsd:double" dictRef="cc:depolarU" units="nonSI:amu" size="192">0.8366 0.8543 0.8569 0.7737 0.8440 0.8199 0.8376 0.8044 0.8560 0.8100 0.8536 0.8410 0.7077 0.6895 0.3885 0.8419 0.2306 0.7220 0.6717 0.4128 0.5511 0.8571 0.6074 0.8325 0.3335 0.8271 0.8182 0.7133 0.6925 0.8066 0.6523 0.5963 0.4154 0.5347 0.8444 0.3271 0.6751 0.5750 0.7838 0.7911 0.8111 0.1803 0.4157 0.4661 0.8551 0.2247 0.6477 0.8114 0.7359 0.3345 0.1669 0.7766 0.1455 0.0613 0.0788 0.1053 0.2282 0.2271 0.3723 0.4819 0.7986 0.3170 0.7399 0.8439 0.6141 0.4669 0.7575 0.7799 0.1663 0.3434 0.5058 0.8176 0.5020 0.8468 0.8570 0.7410 0.8545 0.6213 0.7803 0.7259 0.8357 0.3279 0.6808 0.7759 0.8567 0.8546 0.4827 0.6862 0.8066 0.8537 0.8351 0.6858 0.7705 0.8469 0.6525 0.8108 0.8560 0.8536 0.8050 0.7766 0.5723 0.8049 0.7100 0.7480 0.2693 0.4602 0.4420 0.8456 0.8532 0.8014 0.8571 0.3367 0.3985 0.6280 0.7740 0.8338 0.8189 0.8289 0.8193 0.8571 0.6701 0.8422 0.8571 0.8562 0.6561 0.8513 0.8467 0.8479 0.7366 0.7854 0.7856 0.8189 0.6336 0.8363 0.8354 0.8343 0.7271 0.8446 0.8555 0.8505 0.8455 0.8557 0.8477 0.8096 0.8562 0.8288 0.8464 0.6449 0.8007 0.7833 0.6778 0.3759 0.8151 0.8413 0.8357 0.6716 0.8203 0.2016 0.7481 0.3447 0.0764 0.2982 0.5280 0.3166 0.5040 0.8550 0.2631 0.1546 0.7722 0.2738 0.0817 0.8486 0.3024 0.6018 0.8512 0.0882 0.8536 0.4431 0.4348 0.5991 0.8187 0.8085 0.8346 0.8094 0.8330 0.8516 0.6138 0.2962 0.2267 0.4455 0.8147 0.2500</array>
</arrayList>
</table>
</property>
</propertyList>
</module> <!-- End of cc:frequencyAnalysis -->
<module dictRef="cc:thermochemistry">
<parameterList>
<parameter dictRef="cc:temperature">
  <scalar dataType="xsd:double" units="SI:K">298.150</scalar>
</parameter>
<parameter dictRef="cc:pressure">
  <scalar dataType="xsd:double" units="nonSI:atm">1.00000</scalar>
</parameter>
<parameter dictRef="cc:isotopes" cmlx:templateRef="mass">
<table tableType="columnBased" rows="66" columns="3">
<arrayList>
  <array dataType="xsd:integer" dictRef="cc:serial" units="SI:none" size="66">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</array>
  <array dataType="xsd:integer" dictRef="g:elementType" units="SI:none" size="66">6 6 6 6 6 6 6 9 9 6 8 7 6 6 1 6 6 6 6 7 1 1 6 6 6 8 7 6 1 6 7 1 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
  <array dataType="xsd:double" dictRef="cc:atomicmass" units="nonSI:dalton" size="66">12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 18.99840 18.99840 12.00000 15.99491 14.00307 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 1.00783 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 1.00783 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783</array>
</arrayList>
</table>
</parameter>
</parameterList>
<module dictRef="cc:momentsofInertia">
<propertyList>
<property dictRef="cc:eigenvalues">
  <array dataType="xsd:double" units="nonSI:a.u." size="3">10870.6958 23466.1137 31067.3768</array>
</property>
<property dictRef="cc:eigenvectors">
  <matrix rows="3" columns="3" dataType="xsd:double">0.99987 -0.01488 0.00567 0.01483 0.99985 0.00909 -0.00580 -0.00901 0.99994</matrix>
</property>
</propertyList>
</module> <!-- End of cc:momentsofInertia -->
<propertyList>
<property dictRef="cc:RotSymNum">
  <scalar dataType="xsd:integer" units="SI:none">1</scalar>
</property>
<property dictRef="cc:rotationalTemperatures">
  <array dataType="xsd:double" units="SI:K" size="3">0.00797 0.00369 0.00279</array>
</property>
<property dictRef="cc:rotationalConstants">
  <array dataType="xsd:double" units="SI:GHz" size="3">0.16602 0.07691 0.05809</array>
</property>
<property dictRef="cc:vibrationalTemperatures">
  <array dataType="xsd:double" units="SI:K" size="192">22.00 23.06 34.73 43.07 58.26 76.40 97.42 121.10 134.44 140.10 153.67 184.58 212.38 229.77 235.55 239.71 257.48 312.76 337.52 372.93 406.05 415.57 431.64 443.66 450.25 470.31 481.35 499.37 511.47 541.72 571.89 597.13 620.24 637.59 678.94 693.53 702.84 722.21 764.34 792.32 812.44 821.92 831.64 874.62 895.71 900.82 945.63 961.47 994.57 1031.56 1067.48 1110.30 1161.26 1178.81 1189.76 1205.53 1225.46 1234.18 1239.72 1261.87 1265.35 1277.47 1294.61 1341.84 1346.35 1355.81 1357.85 1377.98 1396.69 1409.30 1458.31 1478.52 1493.56 1499.62 1513.79 1518.92 1543.66 1552.35 1564.80 1566.22 1570.63 1597.28 1616.46 1631.97 1643.26 1644.22 1654.02 1682.72 1684.25 1691.85 1718.31 1749.85 1773.36 1784.71 1794.96 1818.04 1855.34 1869.25 1885.88 1890.65 1898.04 1901.92 1920.46 1929.98 1960.56 1964.26 1984.05 1987.26 2000.18 2012.96 2028.87 2040.08 2061.66 2062.45 2087.12 2089.36 2097.55 2104.61 2122.68 2137.43 2157.55 2159.50 2164.81 2168.75 2192.45 2200.74 2220.18 2223.49 2236.79 2242.47 2250.85 2259.79 2262.05 2264.86 2283.27 2289.69 2299.17 2331.48 2338.43 2351.67 2353.43 2358.32 2363.77 2370.72 2376.08 2380.88 2382.65 2387.43 2399.01 2402.60 2410.92 2414.88 2428.41 2559.36 2630.75 2637.24 2787.07 2794.78 4598.91 4611.06 4640.27 4666.66 4672.70 4674.28 4684.49 4688.19 4695.83 4706.70 4723.79 4724.64 4727.87 4730.44 4738.72 4748.71 4751.48 4756.14 4763.58 4774.65 4784.88 4795.00 4806.33 4808.42 4813.06 4832.28 4850.27 4861.20 4862.87 4886.01 5270.83 5336.50 5359.02 5564.98</array>
</property>
<property dictRef="cc:Energy_ZPVE">
  <scalar dataType="xsd:double" units="nonSI:hartree">0.621443</scalar>
</property>
<property dictRef="cc:thermalCorrectionToEnergy">
  <scalar dataType="xsd:double" units="nonSI:hartree">0.648606</scalar>
</property>
<property dictRef="cc:thermalCorrectionToEnthalpy">
  <scalar dataType="xsd:double" units="nonSI:hartree">0.649550</scalar>
</property>
<property dictRef="cc:thermalCorrectionToGibbsEnergy">
  <scalar dataType="xsd:double" units="nonSI:hartree">0.560619</scalar>
</property>
<property dictRef="cc:Energy_0K">
  <scalar dataType="xsd:double" units="nonSI:hartree">-1493.965413</scalar>
</property>
<property dictRef="cc:Energy_T">
  <scalar dataType="xsd:double" units="nonSI:hartree">-1493.938251</scalar>
</property>
<property dictRef="cc:Enthalpy_T">
  <scalar dataType="xsd:double" units="nonSI:hartree">-1493.937307</scalar>
</property>
<property dictRef="cc:GibbsEnergy_T">
  <scalar dataType="xsd:double" units="nonSI:hartree">-1494.026237</scalar>
</property>
<property dictRef="cc:Entropy_T">
  <scalar dataType="xsd:double" units="nonSI:hartree.K-1">2.982727D-04</scalar>
</property>
</propertyList>
</module> <!-- End of cc:thermochemistry -->
</module> <!-- End of cc:finalization -->
</module> <!-- End of cc:job -->
<module dictRef="cc:job" id="retrievium">
<module dictRef="cc:environment">
<parameterList>
<parameter dictRef="cc:program">
  <scalar dataType="xsd:string">MUNgauss</scalar>
</parameter>
<parameter dictRef="cc:programVersion">
  <scalar dataType="xsd:string">RevisionA2.0</scalar>
</parameter>
<parameter dictRef="cc:Owner">
  <scalar dataType="xsd:string">retrievium</scalar>
</parameter>
</parameterList>
<propertyList>
<property dictRef="cc:runDate">
  <scalar dataType="xsd:runDate">10-Jan-2021</scalar>
</property>
</propertyList>
</module> <!-- End of cc:environment -->
<module id="initialization" dictRef="cc:initialization">
<parameterList>
<parameter dictRef="cc:title">
  <scalar dataType="xsd:string" cmlx:templateRef="title">DUDE Cc1ccc(c(c1F)F)C(=O)N2C[C@H](C3(C2)CC[NH2+]CC3)C(=O)N[C@@H]4C[NH+]5CCC4CC5 C39663138</scalar>
</parameter>
<parameter dictRef="cc:method">
  <scalar dataType="xsd:string">RHF</scalar>
</parameter>
<parameter dictRef="cc:basisSetLabel">
  <scalar dataType="xsd:string">6-31G(d)</scalar>
</parameter>
<parameter dictRef="cc:polarization">
  <scalar dataType="xsd:string">(6D,10F)</scalar>
</parameter>
</parameterList>
<formula formalCharge="2" concise="C 24 H 34 N 4 O 2 F 2" />
</module> <!-- end of cc:initialization -->
<module id="finalization" dictRef="cc:finalization">
<molecule id="final" cmlx:templateRef="atom" orientation="input" spinMultiplicity="1" formalCharge="2">
<formula formalCharge="2" concise="C 24 H 34 N 4 O 2 F 2" />
<property dictRef="cc:PointGroup">
  <scalar dataType="xsd:string">C1</scalar>
</property>
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</bondArray>
<property dictRef="cml:molmass">
  <scalar dataType="xsd:double" units="unit:dalton" xmlns:unit="http://www.xml-cml.org/unit/si/">448.264983</scalar>
</property>
</molecule>
<module dictRef="retrievium:molecularDescriptors">
<propertyList>
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  <atomType id="a51" elementType="H" type="4" valence="1" />
  <atomType id="a52" elementType="H" type="4" valence="1" />
  <atomType id="a53" elementType="H" type="4" valence="1" />
  <atomType id="a54" elementType="H" type="4" valence="1" />
  <atomType id="a56" elementType="H" type="4" valence="1" />
  <atomType id="a57" elementType="H" type="4" valence="1" />
  <atomType id="a58" elementType="H" type="4" valence="1" />
  <atomType id="a59" elementType="H" type="4" valence="1" />
  <atomType id="a60" elementType="H" type="4" valence="1" />
  <atomType id="a61" elementType="H" type="4" valence="1" />
  <atomType id="a62" elementType="H" type="4" valence="1" />
  <atomType id="a63" elementType="H" type="4" valence="1" />
  <atomType id="a64" elementType="H" type="4" valence="1" />
  <atomType id="a65" elementType="H" type="4" valence="1" />
  <atomType id="a66" elementType="H" type="4" valence="1" />
  <atomType id="a31" elementType="N" type="35" valence="4" />
  <atomType id="a20" elementType="N" type="25" valence="4" />
  <atomType id="a12" elementType="N" type="24" valence="3" />
  <atomType id="a27" elementType="N" type="19" valence="3" />
  <atomType id="a11" elementType="O" type="4" valence="1" />
  <atomType id="a26" elementType="O" type="4" valence="1" />
  <atomType id="a8" elementType="F" type="4" valence="1" />
  <atomType id="a9" elementType="F" type="4" valence="1" />
</atomTypeList>
</property>
<property dictRef="retrievium:atomTypeCount">
<atomTypeList>
  <atomType elementType="C" type="40" valence="4" count="1" />
  <atomType elementType="C" type="39" valence="4" count="1" />
  <atomType elementType="C" type="35" valence="4" count="2" />
  <atomType elementType="C" type="33" valence="3" count="2" />
  <atomType elementType="C" type="32" valence="3" count="2" />
  <atomType elementType="C" type="29" valence="4" count="7" />
  <atomType elementType="C" type="25" valence="4" count="4" />
  <atomType elementType="C" type="24" valence="3" count="2" />
  <atomType elementType="C" type="19" valence="3" count="2" />
  <atomType elementType="C" type="10" valence="4" count="1" />
  <atomType elementType="H" type="5" valence="1" count="4" />
  <atomType elementType="H" type="4" valence="1" count="30" />
  <atomType elementType="N" type="35" valence="4" count="1" />
  <atomType elementType="N" type="25" valence="4" count="1" />
  <atomType elementType="N" type="24" valence="3" count="1" />
  <atomType elementType="N" type="19" valence="3" count="1" />
  <atomType elementType="O" type="4" valence="1" count="2" />
  <atomType elementType="F" type="4" valence="1" count="2" />
</atomTypeList>
</property>
<property dictRef="retrievium:Energy_nuclear_atomic">
<energy_nuclear_atomicList>
    <nuclear_atomic id="a9" elementType="F" energy="121.601776" />
    <nuclear_atomic id="a12" elementType="N" energy="118.525950" />
    <nuclear_atomic id="a26" elementType="O" energy="117.933397" />
    <nuclear_atomic id="a11" elementType="O" energy="113.380842" />
    <nuclear_atomic id="a27" elementType="N" energy="109.377591" />
    <nuclear_atomic id="a8" elementType="F" energy="103.779688" />
    <nuclear_atomic id="a16" elementType="C" energy="103.395191" />
    <nuclear_atomic id="a14" elementType="C" energy="102.878029" />
    <nuclear_atomic id="a25" elementType="C" energy="101.578621" />
    <nuclear_atomic id="a10" elementType="C" energy="100.896135" />
    <nuclear_atomic id="a13" elementType="C" energy="100.681081" />
    <nuclear_atomic id="a17" elementType="C" energy="98.444239" />
    <nuclear_atomic id="a5" elementType="C" energy="97.215489" />
    <nuclear_atomic id="a6" elementType="C" energy="95.151702" />
    <nuclear_atomic id="a31" elementType="N" energy="94.473593" />
    <nuclear_atomic id="a18" elementType="C" energy="94.225502" />
    <nuclear_atomic id="a28" elementType="C" energy="92.646870" />
    <nuclear_atomic id="a20" elementType="N" energy="90.140728" />
    <nuclear_atomic id="a24" elementType="C" energy="89.950299" />
    <nuclear_atomic id="a7" elementType="C" energy="88.081548" />
    <nuclear_atomic id="a30" elementType="C" energy="87.438498" />
    <nuclear_atomic id="a4" elementType="C" energy="86.548718" />
    <nuclear_atomic id="a35" elementType="C" energy="85.260473" />
    <nuclear_atomic id="a19" elementType="C" energy="84.481055" />
    <nuclear_atomic id="a2" elementType="C" energy="81.505565" />
    <nuclear_atomic id="a23" elementType="C" energy="80.571675" />
    <nuclear_atomic id="a34" elementType="C" energy="79.796150" />
    <nuclear_atomic id="a3" elementType="C" energy="79.779225" />
    <nuclear_atomic id="a33" elementType="C" energy="77.394940" />
    <nuclear_atomic id="a36" elementType="C" energy="74.935759" />
    <nuclear_atomic id="a37" elementType="C" energy="74.291972" />
    <nuclear_atomic id="a1" elementType="C" energy="65.420097" />
    <nuclear_atomic id="a43" elementType="H" energy="16.660712" />
    <nuclear_atomic id="a15" elementType="H" energy="16.437989" />
    <nuclear_atomic id="a47" elementType="H" energy="16.417622" />
    <nuclear_atomic id="a44" elementType="H" energy="16.303455" />
    <nuclear_atomic id="a45" elementType="H" energy="15.769044" />
    <nuclear_atomic id="a46" elementType="H" energy="15.753489" />
    <nuclear_atomic id="a55" elementType="H" energy="15.678367" />
    <nuclear_atomic id="a48" elementType="H" energy="14.985645" />
    <nuclear_atomic id="a56" elementType="H" energy="14.943888" />
    <nuclear_atomic id="a54" elementType="H" energy="14.931259" />
    <nuclear_atomic id="a29" elementType="H" energy="14.779913" />
    <nuclear_atomic id="a53" elementType="H" energy="14.632491" />
    <nuclear_atomic id="a49" elementType="H" energy="14.483981" />
    <nuclear_atomic id="a42" elementType="H" energy="13.958851" />
    <nuclear_atomic id="a57" elementType="H" energy="13.944950" />
    <nuclear_atomic id="a60" elementType="H" energy="13.851666" />
    <nuclear_atomic id="a51" elementType="H" energy="13.575545" />
    <nuclear_atomic id="a62" elementType="H" energy="13.500387" />
    <nuclear_atomic id="a50" elementType="H" energy="13.118499" />
    <nuclear_atomic id="a22" elementType="H" energy="13.089358" />
    <nuclear_atomic id="a32" elementType="H" energy="12.919554" />
    <nuclear_atomic id="a58" elementType="H" energy="12.790523" />
    <nuclear_atomic id="a21" elementType="H" energy="12.381194" />
    <nuclear_atomic id="a52" elementType="H" energy="12.347160" />
    <nuclear_atomic id="a61" elementType="H" energy="12.297062" />
    <nuclear_atomic id="a41" elementType="H" energy="12.262394" />
    <nuclear_atomic id="a66" elementType="H" energy="12.168584" />
    <nuclear_atomic id="a63" elementType="H" energy="12.091105" />
    <nuclear_atomic id="a59" elementType="H" energy="11.995214" />
    <nuclear_atomic id="a64" elementType="H" energy="11.771490" />
    <nuclear_atomic id="a65" elementType="H" energy="11.491761" />
    <nuclear_atomic id="a38" elementType="H" energy="11.165681" />
    <nuclear_atomic id="a39" elementType="H" energy="10.878774" />
    <nuclear_atomic id="a40" elementType="H" energy="10.784379" />
</energy_nuclear_atomicList>
</property>
<property dictRef="retrievium:Density_atomic">
<density_atomicList>
    <density_atomic id="a8" elementType="F" density="5.172131" />
    <density_atomic id="a9" elementType="F" density="5.171994" />
    <density_atomic id="a11" elementType="O" density="4.544173" />
    <density_atomic id="a26" elementType="O" density="4.543886" />
    <density_atomic id="a31" elementType="N" density="3.901013" />
    <density_atomic id="a12" elementType="N" density="3.900694" />
    <density_atomic id="a27" elementType="N" density="3.899011" />
    <density_atomic id="a20" elementType="N" density="3.898784" />
    <density_atomic id="a25" elementType="C" density="3.283791" />
    <density_atomic id="a10" elementType="C" density="3.283278" />
    <density_atomic id="a2" elementType="C" density="3.282166" />
    <density_atomic id="a3" elementType="C" density="3.281870" />
    <density_atomic id="a4" elementType="C" density="3.281817" />
    <density_atomic id="a5" elementType="C" density="3.281597" />
    <density_atomic id="a6" elementType="C" density="3.281436" />
    <density_atomic id="a7" elementType="C" density="3.281219" />
    <density_atomic id="a14" elementType="C" density="3.281199" />
    <density_atomic id="a30" elementType="C" density="3.280943" />
    <density_atomic id="a35" elementType="C" density="3.280629" />
    <density_atomic id="a16" elementType="C" density="3.280434" />
    <density_atomic id="a37" elementType="C" density="3.280255" />
    <density_atomic id="a33" elementType="C" density="3.280218" />
    <density_atomic id="a19" elementType="C" density="3.280093" />
    <density_atomic id="a18" elementType="C" density="3.280054" />
    <density_atomic id="a23" elementType="C" density="3.279800" />
    <density_atomic id="a17" elementType="C" density="3.279557" />
    <density_atomic id="a24" elementType="C" density="3.279481" />
    <density_atomic id="a36" elementType="C" density="3.279276" />
    <density_atomic id="a34" elementType="C" density="3.279249" />
    <density_atomic id="a13" elementType="C" density="3.278541" />
    <density_atomic id="a28" elementType="C" density="3.278428" />
    <density_atomic id="a1" elementType="C" density="3.277716" />
    <density_atomic id="a44" elementType="H" density="0.432896" />
    <density_atomic id="a29" elementType="H" density="0.431690" />
    <density_atomic id="a15" elementType="H" density="0.429740" />
    <density_atomic id="a43" elementType="H" density="0.428505" />
    <density_atomic id="a46" elementType="H" density="0.427643" />
    <density_atomic id="a45" elementType="H" density="0.426730" />
    <density_atomic id="a60" elementType="H" density="0.425620" />
    <density_atomic id="a48" elementType="H" density="0.425602" />
    <density_atomic id="a66" elementType="H" density="0.425546" />
    <density_atomic id="a58" elementType="H" density="0.425308" />
    <density_atomic id="a59" elementType="H" density="0.425157" />
    <density_atomic id="a53" elementType="H" density="0.425113" />
    <density_atomic id="a62" elementType="H" density="0.424916" />
    <density_atomic id="a51" elementType="H" density="0.424810" />
    <density_atomic id="a56" elementType="H" density="0.424504" />
    <density_atomic id="a65" elementType="H" density="0.424108" />
    <density_atomic id="a40" elementType="H" density="0.423671" />
    <density_atomic id="a52" elementType="H" density="0.423654" />
    <density_atomic id="a41" elementType="H" density="0.423327" />
    <density_atomic id="a42" elementType="H" density="0.423076" />
    <density_atomic id="a64" elementType="H" density="0.422850" />
    <density_atomic id="a57" elementType="H" density="0.422756" />
    <density_atomic id="a50" elementType="H" density="0.422604" />
    <density_atomic id="a63" elementType="H" density="0.422260" />
    <density_atomic id="a61" elementType="H" density="0.421360" />
    <density_atomic id="a47" elementType="H" density="0.420431" />
    <density_atomic id="a38" elementType="H" density="0.419896" />
    <density_atomic id="a49" elementType="H" density="0.419482" />
    <density_atomic id="a39" elementType="H" density="0.418098" />
    <density_atomic id="a54" elementType="H" density="0.417339" />
    <density_atomic id="a55" elementType="H" density="0.407016" />
    <density_atomic id="a32" elementType="H" density="0.402304" />
    <density_atomic id="a22" elementType="H" density="0.400131" />
    <density_atomic id="a21" elementType="H" density="0.395779" />
</density_atomicList>
</property>
<property dictRef="retrievium:FunctionalGroups">
<functionalGroupList>
<functionalGroup>
  <numFuncGroup count="1" />
  <centralAtom id="a16" elementType="C" type="40" valence="4" density="3.280434" />
  <bondedAtom id="a14" elementType="C" type="35" valence="4" bondType="-" Ring="T" />
  <bondedAtom id="a17" elementType="C" type="29" valence="4" bondType="-" Ring="T" />
  <bondedAtom id="a18" elementType="C" type="25" valence="4" bondType="-" Ring="T" />
  <bondedAtom id="a24" elementType="C" type="25" valence="4" bondType="-" Ring="T" />
</functionalGroup>
<functionalGroup>
  <numFuncGroup count="1" />
  <centralAtom id="a28" elementType="C" type="39" valence="4" density="3.278428" />
  <bondedAtom id="a35" elementType="C" type="35" valence="4" bondType="-" Ring="T" />
  <bondedAtom id="a30" elementType="C" type="29" valence="4" bondType="-" Ring="T" />
  <bondedAtom id="a29" elementType="H" type="4" valence="1" bondType="-" Ring="F" />
  <bondedAtom id="a27" elementType="N" type="19" valence="3" bondType="-" Ring="T" />
</functionalGroup>
<functionalGroup>
  <numFuncGroup count="1" />
  <centralAtom id="a14" elementType="C" type="35" valence="4" density="3.281199" />
  <bondedAtom id="a16" elementType="C" type="40" valence="4" bondType="-" Ring="T" />
  <bondedAtom id="a25" elementType="C" type="32" valence="3" bondType="-" Ring="T" />
  <bondedAtom id="a13" elementType="C" type="29" valence="4" bondType="-" Ring="T" />
  <bondedAtom id="a15" elementType="H" type="4" valence="1" bondType="-" Ring="F" />
</functionalGroup>
<functionalGroup>
  <numFuncGroup count="1" />
  <centralAtom id="a35" elementType="C" type="35" valence="4" density="3.280629" />
  <bondedAtom id="a28" elementType="C" type="39" valence="4" bondType="-" Ring="T" />
  <bondedAtom id="a34" elementType="C" type="25" valence="4" bondType="-" Ring="T" />
  <bondedAtom id="a36" elementType="C" type="25" valence="4" bondType="-" Ring="T" />
  <bondedAtom id="a62" elementType="H" type="4" valence="1" bondType="-" Ring="F" />
</functionalGroup>
<functionalGroup>
  <numFuncGroup count="2" />
  <centralAtom id="a6" elementType="C" type="33" valence="3" density="3.281436" />
  <bondedAtom id="a7" elementType="C" type="33" valence="3" bondType="~" Ring="T" />
  <bondedAtom id="a5" elementType="C" type="24" valence="3" bondType="~" Ring="T" />
  <bondedAtom id="a9" elementType="F" type="4" valence="1" bondType="-" Ring="F" />
</functionalGroup>
<functionalGroup>
  <numFuncGroup count="2" />
  <centralAtom id="a7" elementType="C" type="33" valence="3" density="3.281219" />
  <bondedAtom id="a6" elementType="C" type="33" valence="3" bondType="~" Ring="T" />
  <bondedAtom id="a2" elementType="C" type="24" valence="3" bondType="~" Ring="T" />
  <bondedAtom id="a8" elementType="F" type="4" valence="1" bondType="-" Ring="F" />
</functionalGroup>
<functionalGroup>
  <numFuncGroup count="1" />
  <centralAtom id="a10" elementType="C" type="32" valence="3" density="3.283278" />
  <bondedAtom id="a5" elementType="C" type="24" valence="3" bondType="-" Ring="T" />
  <bondedAtom id="a12" elementType="N" type="24" valence="3" bondType="-" Ring="T" />
  <bondedAtom id="a11" elementType="O" type="4" valence="1" bondType="=" Ring="F" />
</functionalGroup>
<functionalGroup>
  <numFuncGroup count="1" />
  <centralAtom id="a25" elementType="C" type="32" valence="3" density="3.283791" />
  <bondedAtom id="a14" elementType="C" type="35" valence="4" bondType="-" Ring="T" />
  <bondedAtom id="a27" elementType="N" type="19" valence="3" bondType="-" Ring="T" />
  <bondedAtom id="a26" elementType="O" type="4" valence="1" bondType="=" Ring="F" />
</functionalGroup>
<functionalGroup>
  <numFuncGroup count="1" />
  <centralAtom id="a13" elementType="C" type="29" valence="4" density="3.278541" />
  <bondedAtom id="a14" elementType="C" type="35" valence="4" bondType="-" Ring="T" />
  <bondedAtom id="a43" elementType="H" type="4" valence="1" bondType="-" Ring="F" />
  <bondedAtom id="a44" elementType="H" type="4" valence="1" bondType="-" Ring="F" />
  <bondedAtom id="a12" elementType="N" type="24" valence="3" bondType="-" Ring="T" />
</functionalGroup>
<functionalGroup>
  <numFuncGroup count="1" />
  <centralAtom id="a17" elementType="C" type="29" valence="4" density="3.279557" />
  <bondedAtom id="a16" elementType="C" type="40" valence="4" bondType="-" Ring="T" />
  <bondedAtom id="a45" elementType="H" type="4" valence="1" bondType="-" Ring="F" />
  <bondedAtom id="a46" elementType="H" type="4" valence="1" bondType="-" Ring="F" />
  <bondedAtom id="a12" elementType="N" type="24" valence="3" bondType="-" Ring="T" />
</functionalGroup>
<functionalGroup>
  <numFuncGroup count="2" />
  <centralAtom id="a19" elementType="C" type="29" valence="4" density="3.280093" />
  <bondedAtom id="a18" elementType="C" type="25" valence="4" bondType="-" Ring="T" />
  <bondedAtom id="a49" elementType="H" type="4" valence="1" bondType="-" Ring="F" />
  <bondedAtom id="a50" elementType="H" type="4" valence="1" bondType="-" Ring="F" />
  <bondedAtom id="a20" elementType="N" type="25" valence="4" bondType="-" Ring="T" />
</functionalGroup>
<functionalGroup>
  <numFuncGroup count="2" />
  <centralAtom id="a23" elementType="C" type="29" valence="4" density="3.279800" />
  <bondedAtom id="a24" elementType="C" type="25" valence="4" bondType="-" Ring="T" />
  <bondedAtom id="a51" elementType="H" type="4" valence="1" bondType="-" Ring="F" />
  <bondedAtom id="a52" elementType="H" type="4" valence="1" bondType="-" Ring="F" />
  <bondedAtom id="a20" elementType="N" type="25" valence="4" bondType="-" Ring="T" />
</functionalGroup>
<functionalGroup>
  <numFuncGroup count="1" />
  <centralAtom id="a30" elementType="C" type="29" valence="4" density="3.280943" />
  <bondedAtom id="a28" elementType="C" type="39" valence="4" bondType="-" Ring="T" />
  <bondedAtom id="a56" elementType="H" type="4" valence="1" bondType="-" Ring="F" />
  <bondedAtom id="a57" elementType="H" type="4" valence="1" bondType="-" Ring="F" />
  <bondedAtom id="a31" elementType="N" type="35" valence="4" bondType="-" Ring="T" />
</functionalGroup>
<functionalGroup>
  <numFuncGroup count="2" />
  <centralAtom id="a33" elementType="C" type="29" valence="4" density="3.280218" />
  <bondedAtom id="a34" elementType="C" type="25" valence="4" bondType="-" Ring="T" />
  <bondedAtom id="a58" elementType="H" type="4" valence="1" bondType="-" Ring="F" />
  <bondedAtom id="a59" elementType="H" type="4" valence="1" bondType="-" Ring="F" />
  <bondedAtom id="a31" elementType="N" type="35" valence="4" bondType="-" Ring="T" />
</functionalGroup>
<functionalGroup>
  <numFuncGroup count="2" />
  <centralAtom id="a37" elementType="C" type="29" valence="4" density="3.280255" />
  <bondedAtom id="a36" elementType="C" type="25" valence="4" bondType="-" Ring="T" />
  <bondedAtom id="a65" elementType="H" type="4" valence="1" bondType="-" Ring="F" />
  <bondedAtom id="a66" elementType="H" type="4" valence="1" bondType="-" Ring="F" />
  <bondedAtom id="a31" elementType="N" type="35" valence="4" bondType="-" Ring="T" />
</functionalGroup>
<functionalGroup>
  <numFuncGroup count="2" />
  <centralAtom id="a18" elementType="C" type="25" valence="4" density="3.280054" />
  <bondedAtom id="a16" elementType="C" type="40" valence="4" bondType="-" Ring="T" />
  <bondedAtom id="a19" elementType="C" type="29" valence="4" bondType="-" Ring="T" />
  <bondedAtom id="a47" elementType="H" type="4" valence="1" bondType="-" Ring="F" />
  <bondedAtom id="a48" elementType="H" type="4" valence="1" bondType="-" Ring="F" />
</functionalGroup>
<functionalGroup>
  <numFuncGroup count="2" />
  <centralAtom id="a24" elementType="C" type="25" valence="4" density="3.279481" />
  <bondedAtom id="a16" elementType="C" type="40" valence="4" bondType="-" Ring="T" />
  <bondedAtom id="a23" elementType="C" type="29" valence="4" bondType="-" Ring="T" />
  <bondedAtom id="a53" elementType="H" type="4" valence="1" bondType="-" Ring="F" />
  <bondedAtom id="a54" elementType="H" type="4" valence="1" bondType="-" Ring="F" />
</functionalGroup>
<functionalGroup>
  <numFuncGroup count="2" />
  <centralAtom id="a34" elementType="C" type="25" valence="4" density="3.279249" />
  <bondedAtom id="a35" elementType="C" type="35" valence="4" bondType="-" Ring="T" />
  <bondedAtom id="a33" elementType="C" type="29" valence="4" bondType="-" Ring="T" />
  <bondedAtom id="a60" elementType="H" type="4" valence="1" bondType="-" Ring="F" />
  <bondedAtom id="a61" elementType="H" type="4" valence="1" bondType="-" Ring="F" />
</functionalGroup>
<functionalGroup>
  <numFuncGroup count="2" />
  <centralAtom id="a36" elementType="C" type="25" valence="4" density="3.279276" />
  <bondedAtom id="a35" elementType="C" type="35" valence="4" bondType="-" Ring="T" />
  <bondedAtom id="a37" elementType="C" type="29" valence="4" bondType="-" Ring="T" />
  <bondedAtom id="a63" elementType="H" type="4" valence="1" bondType="-" Ring="F" />
  <bondedAtom id="a64" elementType="H" type="4" valence="1" bondType="-" Ring="F" />
</functionalGroup>
<functionalGroup>
  <numFuncGroup count="1" />
  <centralAtom id="a2" elementType="C" type="24" valence="3" density="3.282166" />
  <bondedAtom id="a7" elementType="C" type="33" valence="3" bondType="~" Ring="T" />
  <bondedAtom id="a3" elementType="C" type="19" valence="3" bondType="~" Ring="T" />
  <bondedAtom id="a1" elementType="C" type="10" valence="4" bondType="-" Ring="F" />
</functionalGroup>
<functionalGroup>
  <numFuncGroup count="1" />
  <centralAtom id="a5" elementType="C" type="24" valence="3" density="3.281597" />
  <bondedAtom id="a6" elementType="C" type="33" valence="3" bondType="~" Ring="T" />
  <bondedAtom id="a10" elementType="C" type="32" valence="3" bondType="-" Ring="T" />
  <bondedAtom id="a4" elementType="C" type="19" valence="3" bondType="~" Ring="T" />
</functionalGroup>
<functionalGroup>
  <numFuncGroup count="2" />
  <centralAtom id="a3" elementType="C" type="19" valence="3" density="3.281870" />
  <bondedAtom id="a2" elementType="C" type="24" valence="3" bondType="~" Ring="T" />
  <bondedAtom id="a4" elementType="C" type="19" valence="3" bondType="~" Ring="T" />
  <bondedAtom id="a41" elementType="H" type="4" valence="1" bondType="-" Ring="F" />
</functionalGroup>
<functionalGroup>
  <numFuncGroup count="2" />
  <centralAtom id="a4" elementType="C" type="19" valence="3" density="3.281817" />
  <bondedAtom id="a5" elementType="C" type="24" valence="3" bondType="~" Ring="T" />
  <bondedAtom id="a3" elementType="C" type="19" valence="3" bondType="~" Ring="T" />
  <bondedAtom id="a42" elementType="H" type="4" valence="1" bondType="-" Ring="F" />
</functionalGroup>
<functionalGroup>
  <numFuncGroup count="1" />
  <centralAtom id="a1" elementType="C" type="10" valence="4" density="3.277716" />
  <bondedAtom id="a2" elementType="C" type="24" valence="3" bondType="-" Ring="F" />
  <bondedAtom id="a38" elementType="H" type="4" valence="1" bondType="-" Ring="F" />
  <bondedAtom id="a39" elementType="H" type="4" valence="1" bondType="-" Ring="F" />
  <bondedAtom id="a40" elementType="H" type="4" valence="1" bondType="-" Ring="F" />
</functionalGroup>
<functionalGroup>
  <numFuncGroup count="2" />
  <centralAtom id="a21" elementType="H" type="5" valence="1" density="0.395779" />
  <bondedAtom id="a20" elementType="N" type="25" valence="4" bondType="-" Ring="F" />
</functionalGroup>
<functionalGroup>
  <numFuncGroup count="2" />
  <centralAtom id="a22" elementType="H" type="5" valence="1" density="0.400131" />
  <bondedAtom id="a20" elementType="N" type="25" valence="4" bondType="-" Ring="F" />
</functionalGroup>
<functionalGroup>
  <numFuncGroup count="1" />
  <centralAtom id="a32" elementType="H" type="5" valence="1" density="0.402304" />
  <bondedAtom id="a31" elementType="N" type="35" valence="4" bondType="-" Ring="F" />
</functionalGroup>
<functionalGroup>
  <numFuncGroup count="1" />
  <centralAtom id="a55" elementType="H" type="5" valence="1" density="0.407016" />
  <bondedAtom id="a27" elementType="N" type="19" valence="3" bondType="-" Ring="F" />
</functionalGroup>
<functionalGroup>
  <numFuncGroup count="2" />
  <centralAtom id="a15" elementType="H" type="4" valence="1" density="0.429740" />
  <bondedAtom id="a14" elementType="C" type="35" valence="4" bondType="-" Ring="F" />
</functionalGroup>
<functionalGroup>
  <numFuncGroup count="1" />
  <centralAtom id="a29" elementType="H" type="4" valence="1" density="0.431690" />
  <bondedAtom id="a28" elementType="C" type="39" valence="4" bondType="-" Ring="F" />
</functionalGroup>
<functionalGroup>
  <numFuncGroup count="3" />
  <centralAtom id="a38" elementType="H" type="4" valence="1" density="0.419896" />
  <bondedAtom id="a1" elementType="C" type="10" valence="4" bondType="-" Ring="F" />
</functionalGroup>
<functionalGroup>
  <numFuncGroup count="3" />
  <centralAtom id="a39" elementType="H" type="4" valence="1" density="0.418098" />
  <bondedAtom id="a1" elementType="C" type="10" valence="4" bondType="-" Ring="F" />
</functionalGroup>
<functionalGroup>
  <numFuncGroup count="3" />
  <centralAtom id="a40" elementType="H" type="4" valence="1" density="0.423671" />
  <bondedAtom id="a1" elementType="C" type="10" valence="4" bondType="-" Ring="F" />
</functionalGroup>
<functionalGroup>
  <numFuncGroup count="2" />
  <centralAtom id="a41" elementType="H" type="4" valence="1" density="0.423327" />
  <bondedAtom id="a3" elementType="C" type="19" valence="3" bondType="-" Ring="F" />
</functionalGroup>
<functionalGroup>
  <numFuncGroup count="2" />
  <centralAtom id="a42" elementType="H" type="4" valence="1" density="0.423076" />
  <bondedAtom id="a4" elementType="C" type="19" valence="3" bondType="-" Ring="F" />
</functionalGroup>
<functionalGroup>
  <numFuncGroup count="14" />
  <centralAtom id="a43" elementType="H" type="4" valence="1" density="0.428505" />
  <bondedAtom id="a13" elementType="C" type="29" valence="4" bondType="-" Ring="F" />
</functionalGroup>
<functionalGroup>
  <numFuncGroup count="14" />
  <centralAtom id="a44" elementType="H" type="4" valence="1" density="0.432896" />
  <bondedAtom id="a13" elementType="C" type="29" valence="4" bondType="-" Ring="F" />
</functionalGroup>
<functionalGroup>
  <numFuncGroup count="14" />
  <centralAtom id="a45" elementType="H" type="4" valence="1" density="0.426730" />
  <bondedAtom id="a17" elementType="C" type="29" valence="4" bondType="-" Ring="F" />
</functionalGroup>
<functionalGroup>
  <numFuncGroup count="14" />
  <centralAtom id="a46" elementType="H" type="4" valence="1" density="0.427643" />
  <bondedAtom id="a17" elementType="C" type="29" valence="4" bondType="-" Ring="F" />
</functionalGroup>
<functionalGroup>
  <numFuncGroup count="8" />
  <centralAtom id="a47" elementType="H" type="4" valence="1" density="0.420431" />
  <bondedAtom id="a18" elementType="C" type="25" valence="4" bondType="-" Ring="F" />
</functionalGroup>
<functionalGroup>
  <numFuncGroup count="8" />
  <centralAtom id="a48" elementType="H" type="4" valence="1" density="0.425602" />
  <bondedAtom id="a18" elementType="C" type="25" valence="4" bondType="-" Ring="F" />
</functionalGroup>
<functionalGroup>
  <numFuncGroup count="14" />
  <centralAtom id="a49" elementType="H" type="4" valence="1" density="0.419482" />
  <bondedAtom id="a19" elementType="C" type="29" valence="4" bondType="-" Ring="F" />
</functionalGroup>
<functionalGroup>
  <numFuncGroup count="14" />
  <centralAtom id="a50" elementType="H" type="4" valence="1" density="0.422604" />
  <bondedAtom id="a19" elementType="C" type="29" valence="4" bondType="-" Ring="F" />
</functionalGroup>
<functionalGroup>
  <numFuncGroup count="14" />
  <centralAtom id="a51" elementType="H" type="4" valence="1" density="0.424810" />
  <bondedAtom id="a23" elementType="C" type="29" valence="4" bondType="-" Ring="F" />
</functionalGroup>
<functionalGroup>
  <numFuncGroup count="14" />
  <centralAtom id="a52" elementType="H" type="4" valence="1" density="0.423654" />
  <bondedAtom id="a23" elementType="C" type="29" valence="4" bondType="-" Ring="F" />
</functionalGroup>
<functionalGroup>
  <numFuncGroup count="8" />
  <centralAtom id="a53" elementType="H" type="4" valence="1" density="0.425113" />
  <bondedAtom id="a24" elementType="C" type="25" valence="4" bondType="-" Ring="F" />
</functionalGroup>
<functionalGroup>
  <numFuncGroup count="8" />
  <centralAtom id="a54" elementType="H" type="4" valence="1" density="0.417339" />
  <bondedAtom id="a24" elementType="C" type="25" valence="4" bondType="-" Ring="F" />
</functionalGroup>
<functionalGroup>
  <numFuncGroup count="14" />
  <centralAtom id="a56" elementType="H" type="4" valence="1" density="0.424504" />
  <bondedAtom id="a30" elementType="C" type="29" valence="4" bondType="-" Ring="F" />
</functionalGroup>
<functionalGroup>
  <numFuncGroup count="14" />
  <centralAtom id="a57" elementType="H" type="4" valence="1" density="0.422756" />
  <bondedAtom id="a30" elementType="C" type="29" valence="4" bondType="-" Ring="F" />
</functionalGroup>
<functionalGroup>
  <numFuncGroup count="14" />
  <centralAtom id="a58" elementType="H" type="4" valence="1" density="0.425308" />
  <bondedAtom id="a33" elementType="C" type="29" valence="4" bondType="-" Ring="F" />
</functionalGroup>
<functionalGroup>
  <numFuncGroup count="14" />
  <centralAtom id="a59" elementType="H" type="4" valence="1" density="0.425157" />
  <bondedAtom id="a33" elementType="C" type="29" valence="4" bondType="-" Ring="F" />
</functionalGroup>
<functionalGroup>
  <numFuncGroup count="8" />
  <centralAtom id="a60" elementType="H" type="4" valence="1" density="0.425620" />
  <bondedAtom id="a34" elementType="C" type="25" valence="4" bondType="-" Ring="F" />
</functionalGroup>
<functionalGroup>
  <numFuncGroup count="8" />
  <centralAtom id="a61" elementType="H" type="4" valence="1" density="0.421360" />
  <bondedAtom id="a34" elementType="C" type="25" valence="4" bondType="-" Ring="F" />
</functionalGroup>
<functionalGroup>
  <numFuncGroup count="2" />
  <centralAtom id="a62" elementType="H" type="4" valence="1" density="0.424916" />
  <bondedAtom id="a35" elementType="C" type="35" valence="4" bondType="-" Ring="F" />
</functionalGroup>
<functionalGroup>
  <numFuncGroup count="8" />
  <centralAtom id="a63" elementType="H" type="4" valence="1" density="0.422260" />
  <bondedAtom id="a36" elementType="C" type="25" valence="4" bondType="-" Ring="F" />
</functionalGroup>
<functionalGroup>
  <numFuncGroup count="8" />
  <centralAtom id="a64" elementType="H" type="4" valence="1" density="0.422850" />
  <bondedAtom id="a36" elementType="C" type="25" valence="4" bondType="-" Ring="F" />
</functionalGroup>
<functionalGroup>
  <numFuncGroup count="14" />
  <centralAtom id="a65" elementType="H" type="4" valence="1" density="0.424108" />
  <bondedAtom id="a37" elementType="C" type="29" valence="4" bondType="-" Ring="F" />
</functionalGroup>
<functionalGroup>
  <numFuncGroup count="14" />
  <centralAtom id="a66" elementType="H" type="4" valence="1" density="0.425546" />
  <bondedAtom id="a37" elementType="C" type="29" valence="4" bondType="-" Ring="F" />
</functionalGroup>
<functionalGroup>
  <numFuncGroup count="1" />
  <centralAtom id="a31" elementType="N" type="35" valence="4" density="3.901013" />
  <bondedAtom id="a30" elementType="C" type="29" valence="4" bondType="-" Ring="T" />
  <bondedAtom id="a33" elementType="C" type="29" valence="4" bondType="-" Ring="T" />
  <bondedAtom id="a37" elementType="C" type="29" valence="4" bondType="-" Ring="T" />
  <bondedAtom id="a32" elementType="H" type="5" valence="1" bondType="-" Ring="F" />
</functionalGroup>
<functionalGroup>
  <numFuncGroup count="1" />
  <centralAtom id="a20" elementType="N" type="25" valence="4" density="3.898784" />
  <bondedAtom id="a19" elementType="C" type="29" valence="4" bondType="-" Ring="T" />
  <bondedAtom id="a23" elementType="C" type="29" valence="4" bondType="-" Ring="T" />
  <bondedAtom id="a21" elementType="H" type="5" valence="1" bondType="-" Ring="F" />
  <bondedAtom id="a22" elementType="H" type="5" valence="1" bondType="-" Ring="F" />
</functionalGroup>
<functionalGroup>
  <numFuncGroup count="1" />
  <centralAtom id="a12" elementType="N" type="24" valence="3" density="3.900694" />
  <bondedAtom id="a10" elementType="C" type="32" valence="3" bondType="-" Ring="T" />
  <bondedAtom id="a13" elementType="C" type="29" valence="4" bondType="-" Ring="T" />
  <bondedAtom id="a17" elementType="C" type="29" valence="4" bondType="-" Ring="T" />
</functionalGroup>
<functionalGroup>
  <numFuncGroup count="1" />
  <centralAtom id="a27" elementType="N" type="19" valence="3" density="3.899011" />
  <bondedAtom id="a28" elementType="C" type="39" valence="4" bondType="-" Ring="T" />
  <bondedAtom id="a25" elementType="C" type="32" valence="3" bondType="-" Ring="T" />
  <bondedAtom id="a55" elementType="H" type="5" valence="1" bondType="-" Ring="F" />
</functionalGroup>
<functionalGroup>
  <numFuncGroup count="2" />
  <centralAtom id="a11" elementType="O" type="4" valence="1" density="4.544173" />
  <bondedAtom id="a10" elementType="C" type="32" valence="3" bondType="=" Ring="F" />
</functionalGroup>
<functionalGroup>
  <numFuncGroup count="2" />
  <centralAtom id="a26" elementType="O" type="4" valence="1" density="4.543886" />
  <bondedAtom id="a25" elementType="C" type="32" valence="3" bondType="=" Ring="F" />
</functionalGroup>
<functionalGroup>
  <numFuncGroup count="2" />
  <centralAtom id="a8" elementType="F" type="4" valence="1" density="5.172131" />
  <bondedAtom id="a7" elementType="C" type="33" valence="3" bondType="-" Ring="F" />
</functionalGroup>
<functionalGroup>
  <numFuncGroup count="2" />
  <centralAtom id="a9" elementType="F" type="4" valence="1" density="5.171994" />
  <bondedAtom id="a6" elementType="C" type="33" valence="3" bondType="-" Ring="F" />
</functionalGroup>
</functionalGroupList>
</property>
<property dictRef="retrievium:Shape">
<table tableType="columnBased" rows="3" columns="2">
<arrayList>
  <array dataType="xsd:string" dictRef="retrievium:Shape" delimiter="|" size="3">|X|Y|Z|</array>
  <array dataType="xsd:double" dictRef="retrievium:Shape" units="nonSI:bohr" size="3">108.665156 72.455492 32.428117</array>
</arrayList>
</table>
</property>
<property dictRef="retrievium:Size">
  <scalar dataType="xsd:double" units="nonSI:bohr">63.439700</scalar>
</property>
<property dictRef="retrievium:NumberOfRingAtoms">
  <scalar dataType="xsd:double" units="nonSI:none">27</scalar>
</property>
<property dictRef="retrievium:RingAtoms">
<table tableType="columnBased" rows="2" columns="2">
<arrayList>
  <array dataType="xsd:integer" dictRef="retrievium:RingAtomsList" size="2">6 7</array>
  <array dataType="xsd:string" dictRef="retrievium:RingAtomsCount" size="2">23 4</array>
</arrayList>
</table>
</property>
<property dictRef="retrievium:CoulombMatrixNuclear">
<matrix rows="66" columns="66" matrixType="squareSymmetricLT" dataType="xsd:double" units="nonSI:hartree" delimiter="|">
|36.858105|
|12.633911|36.858105|
|7.482072|13.698580|36.858105|
|4.988295|7.868334|13.759664|36.858105|
|4.412285|6.779155|7.924734|13.728145|36.858105|
|5.039672|7.913312|6.947755|8.011312|13.795289|36.858105|
|7.610075|13.758974|8.036254|6.927388|7.940595|13.855641|36.858105|
|6.799336|8.123571|5.309504|4.679130|5.308012|8.221618|14.411235|97.533100|
|3.941546|5.280691|4.681173|5.299950|8.130387|14.342485|8.171342|16.161776|97.533100|
|3.277918|4.424665|5.021765|7.527233|12.710835|7.676082|5.070213|8.935887|15.448941|36.858105|
|2.950872|3.819147|4.149809|5.588811|8.079689|6.303032|4.417511|8.229192|14.308156|15.902255|73.516695|
|2.876747|3.710522|4.269190|6.055242|7.774182|5.454875|4.050545|7.450782|11.483481|13.855411|15.074625|53.358707|
|2.907109|3.686468|4.158453|5.468865|6.436554|5.051185|3.977557|7.440194|10.623120|7.628830|9.585872|17.822311|36.858105|
|2.411757|2.914771|3.127213|3.805894|4.455471|3.919501|3.197359|6.359435|9.059548|5.409340|7.943849|10.761638|12.099395|36.858105|
|2.431454|2.906127|3.011502|3.533541|4.179513|3.931361|3.255014|6.643793|9.423897|4.746521|7.146248|8.215626|8.684901|17.570653|0.500000|
|2.238508|2.698507|2.877194|3.533080|4.276277|3.767058|3.004858|6.036420|9.107373|5.820558|9.451996|11.054199|7.698614|12.186988|0.241895|36.858105|
|2.370643|2.913517|3.240883|4.202123|5.036976|4.040566|3.170070|6.149075|9.182656|7.864560|12.541213|17.921223|8.118583|7.975060|0.161032|12.356528|36.858105|
|2.318335|2.796357|2.859587|3.428547|4.379761|4.186467|3.261514|6.730292|11.194731|5.782180|10.120571|8.741573|5.941768|7.593046|0.210225|12.301185|7.444558|36.858105|
|2.111837|2.504356|2.548414|3.007299|3.753569|3.632876|2.898691|6.090296|9.757720|4.931679|9.925859|6.770166|4.253323|4.885859|0.131575|7.423399|6.069696|12.523613|36.858105|
|1.823279|2.113467|2.168150|2.514505|2.977540|2.848935|2.373612|5.032835|7.292621|3.749065|7.273317|5.444830|3.583463|4.322977|0.115092|6.436078|5.152513|7.703633|12.621008|53.358707|
|1.726097|1.983264|2.029441|2.330882|2.725883|2.623615|2.215092|4.729210|6.674967|3.374853|6.729277|4.743149|3.085499|3.551061|0.094690|4.921991|4.352088|5.685436|9.164400|25.663849|0.500000|
|1.754691|2.013194|2.042882|2.331855|2.738337|2.674964|2.263833|4.870706|6.893527|3.319864|6.253600|4.828166|3.340699|4.137814|0.115228|5.684106|4.341638|6.981505|9.191767|25.676403|0.328883|0.500000|
|1.774068|2.057382|2.159650|2.532557|2.919221|2.688241|2.256175|4.701915|6.580641|3.720518|6.949142|5.814271|3.839135|4.789708|0.119078|7.496291|6.081707|6.545873|7.554055|17.216824|0.255017|0.255453|36.858105|
|1.895788|2.215965|2.344805|2.775295|3.194760|2.899666|2.422069|4.992664|6.995491|4.056240|7.028258|6.928248|4.946980|7.212973|0.167861|12.379423|7.420349|7.662430|6.452000|10.367787|0.156895|0.191953|12.469122|36.858105|
|2.143359|2.512790|2.727406|3.215101|3.489113|3.081874|2.650931|5.339507|6.923298|4.011682|6.122684|7.502514|7.587568|12.521016|0.247969|7.304898|5.878458|4.944505|3.719634|4.899631|0.084804|0.097472|4.232456|6.343365|36.858105|
|1.983726|2.307119|2.538873|2.998592|3.177883|2.764065|2.396727|4.822894|6.151298|3.716633|5.830383|6.898350|6.030222|7.931371|0.164117|6.421959|5.863528|4.293854|3.477757|4.763612|0.083939|0.092948|4.362139|6.362471|15.833318|73.516695|
|2.093765|2.403372|2.565990|2.909145|3.084850|2.822313|2.511988|5.146457|6.316904|3.329971|5.125445|5.743945|5.795688|7.786061|0.209383|5.044351|4.207435|3.988352|3.094365|4.086207|0.072205|0.083676|3.366041|4.609789|14.013141|15.216480|53.358707|
|1.851372|2.077239|2.218632|2.461826|2.541057|2.340081|2.132940|4.418965|5.208812|2.709883|4.281916|4.503315|4.145691|5.008225|0.134054|3.829208|3.372952|3.129515|2.579141|3.513876|0.063501|0.072305|2.922787|3.795397|7.819498|12.486424|17.841040|36.858105|
|1.710450|1.913518|2.033205|2.260433|2.357607|2.181000|1.978751|4.128954|4.922948|2.560535|4.128784|4.225901|3.716980|4.661089|0.124192|3.819516|3.301286|3.109858|2.610906|3.667513|0.066251|0.076118|3.110578|4.054618|7.076667|12.449378|12.515364|17.580049|0.500000|
|1.841893|2.060600|2.250346|2.497871|2.494919|2.248509|2.067245|4.231277|4.886585|2.641553|4.161970|4.391314|3.922921|4.269717|0.108392|3.411604|3.248621|2.768044|2.344141|3.177918|0.058372|0.064062|2.668396|3.340473|6.285888|11.892734|10.456032|12.307429|0.246223|36.858105|
|1.725578|1.889529|2.043514|2.205234|2.170667|1.992311|1.874371|3.882137|4.316469|2.238296|3.565921|3.575502|3.112925|3.273351|0.086618|2.707941|2.600489|2.303496|1.991706|2.697617|0.050248|0.054777|2.211762|2.658683|4.286220|7.782390|7.140316|7.683156|0.172234|12.657805|53.358707|
|1.680134|1.832162|1.997748|2.149877|2.088104|1.904406|1.799617|3.716030|4.095977|2.148925|3.439135|3.407400|2.895605|2.964327|0.077460|2.514745|2.477698|2.143507|1.879718|2.547190|0.047820|0.051362|2.092674|2.471488|3.770398|7.080590|5.866567|5.692924|0.137105|9.271280|25.722706|0.500000|
|1.854273|2.012273|2.159536|2.285533|2.229803|2.072527|1.981377|4.117349|4.453924|2.234460|3.526128|3.508356|3.117496|3.175107|0.086591|2.572734|2.465369|2.249102|1.928978|2.563223|0.047770|0.052214|2.051522|2.447424|3.925060|6.660864|6.781423|6.320187|0.135988|7.695120|17.239783|0.257076|36.858105|
|1.930075|2.104635|2.215650|2.347058|2.347369|2.220843|2.113309|4.432953|4.844916|2.350213|3.695560|3.690892|3.380134|3.580166|0.102090|2.806685|2.584934|2.488141|2.090412|2.763026|0.050989|0.056973|2.183590|2.647124|4.388605|6.924352|8.434455|7.557216|0.153534|6.709762|10.511142|0.158512|12.361514|36.858105|
|1.785111|1.963054|2.059765|2.220911|2.274643|2.150449|2.007461|4.229656|4.793514|2.350603|3.743709|3.744431|3.390073|3.888794|0.111156|3.074632|2.730768|2.680188|2.245696|3.038266|0.055617|0.063335|2.438284|3.020051|5.079690|8.020532|10.486672|12.391773|0.246209|7.629071|10.261028|0.149695|7.604060|12.396161|36.858105|
|1.571011|1.705611|1.789006|1.913578|1.943631|1.840795|1.732359|3.674852|4.107411|2.014150|3.266669|3.155819|2.727513|3.068961|0.086013|2.583206|2.343604|2.274306|1.969697|2.715701|0.050432|0.056665|2.189618|2.626757|3.881623|6.643047|6.851576|7.660741|0.202560|6.385677|10.511278|0.158496|6.697826|7.615539|12.401017|36.858105|
|1.545248|1.677189|1.785629|1.914527|1.911861|1.783184|1.680712|3.531355|3.926010|1.983855|3.216593|3.120539|2.655421|2.888515|0.078115|2.467711|2.319316|2.137503|1.873996|2.583843|0.048342|0.053118|2.111719|2.505845|3.691426|6.701957|6.094566|6.697330|0.175312|7.690006|17.229131|0.257179|7.707251|6.370206|7.597343|12.356439|36.858105|
|17.574184|8.862841|5.832807|4.279509|3.960925|4.627006|6.793630|15.486049|8.541445|3.029475|4.838311|3.705925|2.831013|2.390846|0.068108|2.188916|2.266047|2.279634|2.057092|2.428554|0.046754|0.048140|1.731195|1.862112|2.132955|3.475139|2.882641|1.873315|0.047912|1.845974|2.370937|0.046839|1.893344|1.993509|1.830931|1.605377|1.565661|0.500000|
|17.575780|8.878884|5.870208|4.297075|3.972603|4.628490|6.757635|15.198920|8.506760|3.052346|5.045262|3.597889|2.613242|2.214015|0.062039|2.099510|2.221834|2.202378|2.046436|2.405787|0.046865|0.047232|1.704550|1.795810|1.966311|3.257756|2.600780|1.699666|0.044029|1.685840|2.151785|0.042825|1.683521|1.751167|1.638395|1.454281|1.429317|0.302767|0.500000|
|17.609607|8.885885|7.191255|4.726597|3.948919|4.187042|5.606377|11.090979|7.504629|3.021827|4.835437|3.691986|2.746375|2.277139|0.063074|2.107163|2.252867|2.139520|1.955802|2.329530|0.045113|0.045695|1.685255|1.802475|2.064616|3.432588|2.754168|1.811293|0.046389|1.828311|2.350145|0.047057|1.859408|1.906622|1.748899|1.549432|1.538759|0.300994|0.301323|0.500000|
|6.927347|8.941760|17.734805|8.947330|5.648330|4.992230|5.692981|9.596808|8.333109|4.092169|6.207123|4.988933|3.615103|2.792375|0.074338|2.566514|2.890414|2.506722|2.260034|2.674802|0.051400|0.051586|1.978986|2.142636|2.521014|4.236892|3.264618|2.118062|0.053860|2.187414|2.742258|0.055286|2.136408|2.151743|1.979555|1.737710|1.753700|0.150383|0.151898|0.219846|0.500000|
|4.070783|5.619745|8.922370|17.727102|8.921484|5.678352|4.981085|8.329507|9.585506|6.936931|9.384652|8.497077|5.467349|3.791092|0.094535|3.538291|4.407199|3.274088|2.899775|3.378055|0.064056|0.063501|2.566191|2.819514|3.318268|5.663895|4.024619|2.534631|0.064666|2.640072|3.148833|0.063345|2.365102|2.376435|2.252073|1.954082|1.986808|0.098988|0.099536|0.112486|0.216012|0.500000|
|3.336503|4.342750|4.746631|6.064468|7.419734|6.182439|4.820341|8.845682|12.602959|7.278444|9.107360|12.329551|17.666096|8.615122|0.226299|5.970044|5.909871|5.462454|3.955078|4.443303|0.079043|0.086164|3.335106|4.108012|5.862977|8.288866|7.002855|3.759978|0.092763|3.506871|3.956465|0.074893|3.022944|3.348962|3.255881|2.606243|2.499902|0.091446|0.081861|0.085813|0.110698|0.153771|0.500000|
|2.829869|3.515381|4.113638|5.298620|5.468124|4.282184|3.590828|6.731485|8.694633|5.968721|7.926055|12.387177|17.589915|8.649873|0.182108|5.880596|6.560977|4.524629|3.497798|4.207675|0.075462|0.080571|3.398952|4.315412|7.705566|11.619580|8.328858|4.521770|0.108953|4.575664|4.834783|0.092522|3.550390|3.718162|3.624015|2.908982|2.910339|0.076394|0.070012|0.076089|0.103312|0.158051|0.303055|0.500000|
|2.208937|2.665501|3.011805|3.831726|4.254825|3.431472|2.810028|5.481078|7.588065|5.905417|9.459508|12.472049|7.035067|7.017275|0.140775|8.827576|17.584314|5.465798|4.704134|6.001450|0.106487|0.105894|5.602375|6.979188|6.275296|12.700057|5.936925|3.611945|0.098874|3.615044|3.847601|0.075549|2.610493|2.673152|2.841336|2.465728|2.494496|0.058694|0.057347|0.059232|0.076648|0.116481|0.141563|0.184059|0.500000|
|2.294663|2.803760|3.089561|3.960280|4.779707|3.908431|3.067876|6.002683|9.041446|7.634876|14.896237|12.503180|5.809562|5.641122|0.126935|8.538403|17.719463|6.806259|6.723014|7.596180|0.136334|0.123890|6.328445|6.369897|4.449678|8.047428|4.647207|2.850031|0.078495|2.766952|3.103352|0.060943|2.167364|2.256015|2.373267|2.080627|2.064444|0.060404|0.060662|0.060466|0.076677|0.114657|0.131349|0.136732|0.301754|0.500000|
|2.649780|3.281383|3.305986|4.010069|5.492820|5.431098|3.983116|8.101248|15.561295|7.209274|12.105264|9.737677|6.515115|6.998585|0.201265|8.659192|6.821151|17.624744|9.047223|7.647994|0.127418|0.143754|4.877937|5.514122|4.511621|6.881392|5.136615|2.953329|0.079505|2.653726|3.046479|0.058059|2.229119|2.466105|2.581089|2.177354|2.053529|0.072193|0.069684|0.066863|0.078454|0.102464|0.181166|0.132261|0.138592|0.175145|0.500000|
|2.194695|2.591634|2.602866|3.018337|3.728941|3.712769|3.014463|6.404148|9.973750|4.501144|7.750263|6.747348|5.099215|6.969257|0.225390|8.813806|5.466779|17.501608|8.908142|9.474226|0.144488|0.205440|5.796530|6.982102|4.831295|7.240429|5.603569|3.226542|0.089844|2.756433|3.151113|0.059189|2.273199|2.570887|2.815532|2.374866|2.182259|0.060886|0.057926|0.056233|0.063997|0.079705|0.136218|0.112309|0.123179|0.137935|0.305098|0.500000|
|2.170292|2.597048|2.681082|3.219398|4.038457|3.785499|2.983668|6.156354|9.893460|5.599224|12.534534|7.294683|4.213997|4.480583|0.115640|6.647125|6.643761|8.761580|17.657135|12.334166|0.224770|0.180630|6.804152|5.633331|3.485845|5.959216|3.920767|2.430212|0.067878|2.267817|2.628487|0.051141|1.867089|1.990859|2.110765|1.864748|1.801683|0.057896|0.058678|0.056013|0.065960|0.087042|0.107541|0.097518|0.140108|0.237019|0.213952|0.173284|0.500000|
|2.091027|2.451097|2.434718|2.801519|3.488056|3.550514|2.880393|6.225558|9.934260|4.298811|8.687930|5.605287|3.653078|4.074803|0.115174|5.431255|4.610127|8.789034|17.632435|12.354871|0.220863|0.226703|5.566994|4.880121|3.189968|5.259621|3.761389|2.333808|0.065415|2.116881|2.492748|0.048028|1.792973|1.951891|2.081950|1.836092|1.735989|0.056885|0.056864|0.053370|0.059924|0.073782|0.098547|0.084777|0.103938|0.139169|0.214990|0.215907|0.301811|0.500000|
|1.798137|2.094807|2.226586|2.640770|3.024687|2.725161|2.278547|4.696510|6.556442|3.951466|7.609338|6.113113|3.801201|4.409823|0.106687|6.726595|6.687877|5.727134|6.861606|12.437954|0.226453|0.181292|17.635798|8.746755|3.920708|7.411460|4.229253|2.725413|0.079426|2.572219|2.911852|0.056929|1.982697|2.074629|2.275745|2.056762|2.019913|0.048269|0.048106|0.047641|0.056816|0.075364|0.090820|0.094731|0.174747|0.216299|0.127233|0.133370|0.201950|0.141600|0.500000|
|1.613733|1.844323|1.928082|2.221429|2.506702|2.335850|2.003477|4.219988|5.675953|3.075604|5.706323|4.727616|3.226515|3.971403|0.101449|5.463248|4.617966|4.922798|5.564287|12.371418|0.222078|0.225891|17.628134|8.770511|3.741720|6.992960|4.205548|2.782659|0.084082|2.540781|2.902554|0.056166|1.959931|2.077228|2.345633|2.151113|2.074259|0.043906|0.043195|0.042787|0.049594|0.062690|0.079243|0.081680|0.125070|0.131772|0.107864|0.130465|0.140916|0.126512|0.301849|0.500000|
|1.818719|2.099973|2.188090|2.533228|2.897244|2.709338|2.302205|4.826177|6.611328|3.508715|6.032959|5.772626|4.407613|6.639131|0.173764|8.770437|5.440896|6.902226|5.679825|9.318106|0.143048|0.201365|8.879378|17.500806|6.141278|10.244154|6.571474|3.996485|0.121792|3.338785|3.659024|0.068405|2.484682|2.752141|3.229542|2.798470|2.592101|0.050156|0.047869|0.047937|0.055701|0.070572|0.106406|0.107904|0.142970|0.132551|0.140705|0.207309|0.131019|0.128583|0.173032|0.215524|0.500000|
|1.819120|2.112630|2.267951|2.679332|2.984688|2.662851|2.261463|4.634964|6.235555|3.720097|6.352404|6.487759|4.702252|6.483778|0.145126|8.751010|6.867970|5.526505|4.846884|7.600040|0.127052|0.142401|9.005339|17.639630|6.825602|14.296202|6.541568|4.132793|0.125743|3.742556|3.951446|0.075397|2.593353|2.744425|3.165664|2.794513|2.726518|0.049519|0.047714|0.048553|0.058353|0.077286|0.106338|0.121348|0.212192|0.161038|0.122471|0.141645|0.126275|0.107385|0.214265|0.213418|0.303694|0.500000|
|2.162462|2.473377|2.585270|2.886899|3.105618|2.926192|2.620070|5.436590|6.640532|3.277628|5.049166|5.459079|5.547548|7.394603|0.237505|4.791989|3.887589|4.074439|3.108949|4.036749|0.071223|0.084016|3.199155|4.274884|9.357480|10.925960|26.040448|9.035404|0.195550|5.765059|6.120741|0.103745|4.605451|6.233231|7.433811|4.738695|3.998146|0.061496|0.054741|0.057523|0.066558|0.079547|0.147828|0.152897|0.107077|0.089304|0.109051|0.121364|0.079152|0.078562|0.081187|0.081492|0.128328|0.117373|0.500000|
|2.024759|2.289123|2.545557|2.853513|2.801096|2.476170|2.271964|4.579326|5.281074|2.938613|4.534425|4.962872|4.554730|4.619336|0.114174|3.585439|3.539233|2.884591|2.420012|3.210135|0.058941|0.063940|2.678689|3.346925|6.612587|12.222019|10.246967|8.693410|0.178264|17.658654|12.380932|0.220271|7.313389|6.255450|6.093112|4.905505|5.621268|0.056088|0.051017|0.056061|0.068910|0.084917|0.111800|0.158066|0.110067|0.082586|0.078204|0.078295|0.065761|0.060483|0.072780|0.069568|0.090502|0.102996|0.158909|0.500000|
|1.728103|1.932543|2.117284|2.365335|2.367479|2.121684|1.940910|3.975169|4.631977|2.553877|4.086285|4.246269|3.621620|3.976215|0.098768|3.362401|3.256472|2.692096|2.327551|3.215462|0.059388|0.064428|2.761434|3.422739|5.763568|12.436053|8.326331|8.671771|0.228971|17.674387|12.324378|0.229301|5.624679|4.921602|5.737377|5.447393|6.911179|0.047761|0.044276|0.047714|0.057300|0.070135|0.088343|0.115501|0.103576|0.077825|0.070708|0.073777|0.062970|0.058019|0.074529|0.073940|0.093732|0.110490|0.130963|0.301849|0.500000|
|2.003927|2.180554|2.374626|2.506537|2.395908|2.201416|2.115054|4.344270|4.651066|2.368927|3.697946|3.718766|3.319284|3.225856|0.086684|2.601384|2.554999|2.269017|1.944294|2.552070|0.047643|0.051520|2.038463|2.420853|3.898212|6.635038|6.432089|5.413111|0.118023|6.951699|12.363870|0.229252|17.638425|8.664220|5.739263|4.920074|5.632380|0.056615|0.050109|0.056282|0.065879|0.072705|0.089773|0.108207|0.075316|0.062262|0.063237|0.062821|0.052767|0.050108|0.055314|0.053604|0.067116|0.071111|0.120914|0.217814|0.145760|0.500000|
|1.727090|1.846915|1.966430|2.052541|1.995999|1.874194|1.811472|3.800062|4.037367|1.988719|3.174278|3.064850|2.654914|2.696575|0.074173|2.248950|2.163705|2.000736|1.742404|2.325523|0.043684|0.047510|1.847753|2.162832|3.224758|5.544937|5.358550|4.857962|0.112824|5.622436|12.395176|0.221004|17.635434|8.667482|6.030272|6.191801|7.305156|0.049126|0.043774|0.048315|0.054440|0.058801|0.072225|0.082411|0.063322|0.053639|0.055149|0.056329|0.046925|0.045346|0.049698|0.049432|0.061177|0.063377|0.103923|0.146625|0.126769|0.302027|0.500000|
|2.163754|2.384604|2.512712|2.666142|2.667504|2.521605|2.396630|4.985297|5.453290|2.633154|4.068519|4.154029|3.955502|4.074836|0.117759|3.068623|2.825849|2.727980|2.248195|2.914691|0.053489|0.059832|2.284290|2.791942|4.842675|7.278338|9.454287|6.970863|0.140526|6.134630|8.299604|0.135135|8.798954|17.599409|8.764602|5.516411|4.861653|0.062343|0.053962|0.059099|0.067237|0.074338|0.111519|0.121752|0.080106|0.067771|0.076314|0.077981|0.059480|0.058245|0.060394|0.059486|0.079957|0.079262|0.205432|0.177631|0.126648|0.226599|0.178436|0.500000|
|1.854499|1.990313|2.064952|2.150116|2.150282|2.069762|1.997720|4.249686|4.536509|2.129034|3.381099|3.268339|2.925988|3.077800|0.089448|2.483315|2.287248|2.261826|1.924402|2.544407|0.047273|0.052785|1.982314|2.356024|3.588971|5.716547|6.494562|5.503223|0.123646|4.923422|7.937784|0.129687|8.819047|17.604786|8.805351|6.803506|5.452240|0.053688|0.046894|0.050895|0.055896|0.059895|0.082155|0.087374|0.064969|0.056297|0.062601|0.065439|0.050834|0.050512|0.052276|0.052705|0.068489|0.067060|0.139742|0.128757|0.108742|0.185941|0.226549|0.304001|0.500000|
|1.779315|1.953206|2.018203|2.167347|2.255762|2.170086|2.024684|4.316151|4.913591|2.329053|3.731159|3.665194|3.310460|3.905468|0.117158|3.103549|2.678210|2.780981|2.315629|3.132533|0.057105|0.066263|2.470663|3.055903|4.820126|7.330338|9.764787|8.808876|0.207915|5.527883|7.182165|0.114582|5.518947|8.798786|17.584923|8.846462|5.525248|0.051027|0.045527|0.048007|0.053418|0.060194|0.090014|0.094750|0.075742|0.065028|0.074204|0.083226|0.059625|0.060174|0.063165|0.066119|0.093272|0.086658|0.222424|0.132092|0.125463|0.125441|0.131159|0.207330|0.215686|0.500000|
|1.488843|1.618455|1.690946|1.816666|1.864243|1.770969|1.656849|3.530117|3.994410|1.955631|3.205895|3.058768|2.600275|2.999391|0.084188|2.590821|2.318501|2.285748|1.997376|2.801313|0.052039|0.058928|2.270451|2.715014|3.772673|6.557205|6.393213|6.843129|0.214123|5.451580|7.933614|0.129765|4.914017|5.516821|8.767964|17.600643|8.816136|0.042157|0.038528|0.040635|0.045437|0.051457|0.068525|0.075666|0.067717|0.057530|0.059958|0.066842|0.052210|0.051719|0.058679|0.062823|0.081706|0.080508|0.122989|0.117838|0.140390|0.108681|0.127871|0.122929|0.141104|0.215501|0.500000|
|1.522270|1.634586|1.700459|1.795196|1.816462|1.739128|1.655580|3.540951|3.879754|1.858296|3.024751|2.862787|2.454674|2.707675|0.076998|2.303685|2.102786|2.075072|1.811616|2.484142|0.046434|0.051984|1.971392|2.321330|3.271499|5.541869|5.629284|5.546934|0.145175|4.875326|8.299485|0.134891|6.141093|7.082431|8.829243|17.598737|8.780180|0.043464|0.039187|0.041763|0.046052|0.050602|0.066359|0.072191|0.060782|0.052395|0.055715|0.060384|0.047689|0.047398|0.051586|0.053853|0.068641|0.067576|0.113194|0.112349|0.117677|0.126717|0.175689|0.142288|0.207367|0.210436|0.303939|0.500000|
|1.472909|1.581911|1.679243|1.779604|1.762922|1.653484|1.574777|3.323906|3.628568|1.810327|2.949280|2.803572|2.354213|2.506066|0.068181|2.173250|2.067103|1.914249|1.697217|2.333168|0.044005|0.047941|1.886955|2.195180|3.078893|5.570074|4.943926|4.919044|0.129328|5.622342|12.353478|0.228517|6.982868|5.470292|5.743049|8.660708|17.640590|0.041524|0.037908|0.040942|0.046155|0.051242|0.062334|0.071436|0.061381|0.051706|0.051479|0.054185|0.045532|0.043998|0.050447|0.051613|0.062791|0.065719|0.092887|0.126778|0.144786|0.146008|0.218812|0.118067|0.141295|0.125823|0.185995|0.225883|0.500000|
|1.479217|1.610954|1.720372|1.858892|1.863934|1.729595|1.619152|3.397855|3.823595|1.961422|3.206937|3.096965|2.585978|2.845830|0.075795|2.492168|2.350778|2.136097|1.892607|2.646558|0.049639|0.054289|2.195067|2.594194|3.667883|6.961305|5.751322|6.192191|0.181167|7.265750|12.395617|0.221958|5.627350|4.876620|6.015741|8.662954|17.631808|0.041387|0.038197|0.040888|0.046881|0.053892|0.066627|0.078315|0.071128|0.058370|0.056391|0.060303|0.050655|0.048453|0.058410|0.060514|0.074289|0.079897|0.102717|0.145971|0.215079|0.126973|0.146771|0.111609|0.117492|0.130972|0.226352|0.178025|0.301998|0.500000|
</matrix>
</property>
</propertyList>
</module> <!-- End of retrievium:molecularDescriptors -->
<module dictRef="retrievium:energyComponents">
<propertyList>
<property dictRef="retrievium:Energy_Kinetic">
  <scalar dataType="xsd:double" units="nonSI:hartree">1492.885039</scalar>
</property>
<property dictRef="retrievium:Energy_Vne">
  <scalar dataType="xsd:double" units="nonSI:hartree">-10363.556484</scalar>
</property>
<property dictRef="retrievium:Energy_Coulomb">
  <scalar dataType="xsd:double" units="nonSI:hartree">4120.033408</scalar>
</property>
<property dictRef="retrievium:Energy_Exchange">
  <scalar dataType="xsd:double" units="nonSI:hartree">-199.893253</scalar>
</property>
<property dictRef="retrievium:Energy_Electronic">
  <scalar dataType="xsd:double" units="nonSI:hartree">-4950.531290</scalar>
</property>
<property dictRef="retrievium:Energy_NucRep">
  <scalar dataType="xsd:double" units="nonSI:hartree">3455.944384</scalar>
</property>
<property dictRef="retrievium:Energy_Total">
  <scalar dataType="xsd:double" units="nonSI:hartree">-1494.586906</scalar>
</property>
<property dictRef="retrievium:Virial">
  <scalar dataType="xsd:double" units="nonSI:hartree">2.001140</scalar>
</property>
</propertyList>
</module> <!-- End of retrievium:energyComponents -->
<module dictRef="retrievium:Determinants">
<propertyList>
<property dictRef="retrievium:DET_MGValMG">
  <scalar dataType="xsd:hexadecimal" units="nonSI:none">40AE5FFFFFFFFF98</scalar>
</property>
<property dictRef="retrievium:DET_MGZ">
  <scalar dataType="xsd:hexadecimal" units="nonSI:none">4489F5E6C848EAFD</scalar>
</property>
<property dictRef="retrievium:DET_MG">
  <scalar dataType="xsd:hexadecimal" units="nonSI:none">440BB0F62AF8721F</scalar>
</property>
<property dictRef="retrievium:DET_RGValMG">
  <scalar dataType="xsd:hexadecimal" units="nonSI:none">42C732C8864EA003</scalar>
</property>
<property dictRef="retrievium:DET_RGvalvar">
  <scalar dataType="xsd:hexadecimal" units="nonSI:none">3829B9B03AE18FD0</scalar>
</property>
<property dictRef="retrievium:DET_RGZ">
  <scalar dataType="xsd:hexadecimal" units="nonSI:none">444597C6022E7F33</scalar>
</property>
</propertyList>
</module> <!-- End of retrievium:Determinants -->
</module> <!-- End of cc:finalization -->
</module> <!-- End of cc:job -->
</module> <!-- End of cc:jobList -->
</module>