Cu2CO02TD SP RTD-B3LYP-FC LANL2DZ Number of atoms I 4 Charge I 0 Multiplicity I 1 Number of electrons I 52 Number of alpha electrons I 26 Number of beta electrons I 26 Number of basis functions I 62 Number of independant functions I 62 Number of point charges in /Mol/ I 0 Number of translation vectors I 0 Number of symbols in /Mol/ I 0 Info1-9 I N= 9 26 26 0 0 0 110 1 218 -501 Num ILSW I 100 ILSW I N= 100 0 0 0 0 2 0 0 0 0 0 402 200000 0 0 -1 0 0 0 0 800000 0 0 0 0 1 1 0 0 1000000 0 0 0 100000 0 -1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 720000 810000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Number of contracted shells I 26 Highest angular momentum I 2 Largest degree of contraction I 7 Number of primitive shells I 66 Pure/Cartesian d shells I 0 Pure/Cartesian f shells I 0 Virial Ratio R 2.376117124675567E+00 SCF Energy R -5.056189576407983E+02 Total Energy R -5.056189576407983E+02 RMS Density R 8.279944678976260E-10 Atomic numbers I N= 4 29 29 6 8 Nuclear charges R N= 4 1.90000000E+01 1.90000000E+01 6.00000000E+00 8.00000000E+00 Current cartesian coordinates R N= 12 -1.84413271E+00 1.18730926E+00 2.77096401E+00 1.24970802E+00 -1.36503422E+00 1.22546472E+00 3.64749080E+00 -3.95760242E+00 4.46084972E-01 4.88163881E+00 -5.78143002E+00 3.76174553E-01 Atom Types C N= 4 Int Atom Types I N= 4 0 0 0 0 Force Field I 0 MM charges R N= 4 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 Integer atomic weights I N= 4 63 63 12 16 Real atomic weights R N= 4 6.29295992E+01 6.29295992E+01 1.20000000E+01 1.59949146E+01 Atom residue info I N= 4 0 0 0 0 Atom fragment info I N= 4 0 0 0 0 Atom residue num I N= 4 0 0 0 0 Nuclear spins I N= 4 3 3 0 0 Nuclear ZEff R N= 4 -1.76900000E+01 -1.76900000E+01 -3.60000000E+00 -5.60000000E+00 Nuclear QMom R N= 4 -2.20000000E+01 -2.20000000E+01 0.00000000E+00 0.00000000E+00 Nuclear GFac R N= 4 2.22330000E+00 2.22330000E+00 0.00000000E+00 0.00000000E+00 MicOpt I N= 4 -1 -1 -1 -1 Constraint Structure R N= 12 -1.84413271E+00 1.18730926E+00 2.77096401E+00 1.24970802E+00 -1.36503422E+00 1.22546472E+00 3.64749080E+00 -3.95760242E+00 4.46084972E-01 4.88163881E+00 -5.78143002E+00 3.76174553E-01 ONIOM Charges I N= 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ONIOM Multiplicities I N= 16 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Atom Layers I N= 4 1 1 1 1 Atom Modifiers I N= 4 0 0 0 0 Atom Modified Types C N= 4 Int Atom Modified Types I N= 4 0 0 0 0 Link Atoms I N= 4 0 0 0 0 Atom Modified MM Charges R N= 4 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 Link Distances R N= 16 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 MxBond I 2 NBond I N= 4 1 2 2 1 IBond I N= 8 2 0 1 3 2 4 3 0 RBond R N= 8 1.00000000E+00 0.00000000E+00 1.00000000E+00 1.00000000E+00 1.00000000E+00 2.00000000E+00 2.00000000E+00 0.00000000E+00 Shell types I N= 26 0 0 0 1 1 1 -2 -2 0 0 0 1 1 1 -2 -2 0 0 0 1 1 0 0 0 1 1 Number of primitives per shell I N= 26 3 4 1 3 1 1 4 1 3 4 1 3 1 1 4 1 7 2 1 4 1 7 2 1 4 1 Shell to atom map I N= 26 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 3 3 3 3 3 4 4 4 4 4 Primitive exponents R N= 66 8.17600000E+00 2.56800000E+00 9.58700000E-01 8.17600000E+00 2.56800000E+00 9.58700000E-01 1.15300000E-01 3.96000000E-02 2.56300000E+01 3.16600000E+00 1.02300000E+00 8.60000000E-02 2.40000000E-02 4.13400000E+01 1.14200000E+01 3.83900000E+00 1.23000000E+00 3.10200000E-01 8.17600000E+00 2.56800000E+00 9.58700000E-01 8.17600000E+00 2.56800000E+00 9.58700000E-01 1.15300000E-01 3.96000000E-02 2.56300000E+01 3.16600000E+00 1.02300000E+00 8.60000000E-02 2.40000000E-02 4.13400000E+01 1.14200000E+01 3.83900000E+00 1.23000000E+00 3.10200000E-01 4.23300000E+03 6.34900000E+02 1.46100000E+02 4.25000000E+01 1.41900000E+01 5.14800000E+00 1.96700000E+00 5.14800000E+00 4.96200000E-01 1.53300000E-01 1.81600000E+01 3.98600000E+00 1.14300000E+00 3.59400000E-01 1.14600000E-01 7.81700000E+03 1.17600000E+03 2.73200000E+02 8.11700000E+01 2.71800000E+01 9.53200000E+00 3.41400000E+00 9.53200000E+00 9.39800000E-01 2.84600000E-01 3.51800000E+01 7.90400000E+00 2.30500000E+00 7.17100000E-01 2.13700000E-01 Contraction coefficients R N= 66 -4.21025989E-01 7.38592381E-01 5.52569186E-01 1.78766454E-01 -3.59227208E-01 -4.70482380E-01 1.08074072E+00 1.00000000E+00 -4.89173002E-02 6.27285402E-01 4.71618802E-01 1.00000000E+00 1.00000000E+00 4.65424016E-02 2.22782408E-01 4.53905916E-01 5.31476918E-01 1.00000000E+00 -4.21025989E-01 7.38592381E-01 5.52569186E-01 1.78766454E-01 -3.59227208E-01 -4.70482380E-01 1.08074072E+00 1.00000000E+00 -4.89173002E-02 6.27285402E-01 4.71618802E-01 1.00000000E+00 1.00000000E+00 4.65424016E-02 2.22782408E-01 4.53905916E-01 5.31476918E-01 1.00000000E+00 1.21999969E-03 9.34199761E-03 4.54519884E-02 1.54656960E-01 3.58865908E-01 4.38631888E-01 1.45917963E-01 -1.68366956E-01 1.06009072E+00 1.00000000E+00 1.85389998E-02 1.15435999E-01 3.86187996E-01 6.40113993E-01 1.00000000E+00 1.17600033E-03 8.96800252E-03 4.28680121E-02 1.43930040E-01 3.55630100E-01 4.61248130E-01 1.40206039E-01 -1.54153074E-01 1.05691451E+00 1.00000000E+00 1.95800005E-02 1.24200003E-01 3.94714010E-01 6.27376016E-01 1.00000000E+00 Coordinates of each shell R N= 78 -1.84413271E+00 1.18730926E+00 2.77096401E+00 -1.84413271E+00 1.18730926E+00 2.77096401E+00 -1.84413271E+00 1.18730926E+00 2.77096401E+00 -1.84413271E+00 1.18730926E+00 2.77096401E+00 -1.84413271E+00 1.18730926E+00 2.77096401E+00 -1.84413271E+00 1.18730926E+00 2.77096401E+00 -1.84413271E+00 1.18730926E+00 2.77096401E+00 -1.84413271E+00 1.18730926E+00 2.77096401E+00 1.24970802E+00 -1.36503422E+00 1.22546472E+00 1.24970802E+00 -1.36503422E+00 1.22546472E+00 1.24970802E+00 -1.36503422E+00 1.22546472E+00 1.24970802E+00 -1.36503422E+00 1.22546472E+00 1.24970802E+00 -1.36503422E+00 1.22546472E+00 1.24970802E+00 -1.36503422E+00 1.22546472E+00 1.24970802E+00 -1.36503422E+00 1.22546472E+00 1.24970802E+00 -1.36503422E+00 1.22546472E+00 3.64749080E+00 -3.95760242E+00 4.46084972E-01 3.64749080E+00 -3.95760242E+00 4.46084972E-01 3.64749080E+00 -3.95760242E+00 4.46084972E-01 3.64749080E+00 -3.95760242E+00 4.46084972E-01 3.64749080E+00 -3.95760242E+00 4.46084972E-01 4.88163881E+00 -5.78143002E+00 3.76174553E-01 4.88163881E+00 -5.78143002E+00 3.76174553E-01 4.88163881E+00 -5.78143002E+00 3.76174553E-01 4.88163881E+00 -5.78143002E+00 3.76174553E-01 4.88163881E+00 -5.78143002E+00 3.76174553E-01 Alpha Orbital Energies R N= 62 -1.92960726E+01 -1.03742813E+01 -4.33542786E+00 -4.24916377E+00 -2.84919726E+00 -2.83815897E+00 -2.83805480E+00 -2.76126455E+00 -2.75417263E+00 -2.75416176E+00 -1.21320461E+00 -6.07358037E-01 -5.08316777E-01 -5.06127660E-01 -4.88910411E-01 -3.16637280E-01 -3.16104009E-01 -3.07095618E-01 -3.07089972E-01 -3.04289586E-01 -2.39017559E-01 -2.31659271E-01 -2.31607299E-01 -2.28315492E-01 -2.28312122E-01 -1.94648341E-01 -1.00835035E-01 -1.00639557E-01 -4.35133242E-02 -1.02992651E-02 -1.01780899E-02 1.82344313E-02 3.53534775E-02 3.74358252E-02 5.19756279E-02 8.42225755E-02 8.50494157E-02 8.97617695E-02 1.36446972E-01 1.45653899E-01 1.65579504E-01 2.41154764E-01 3.21524240E-01 3.31355254E-01 4.70080784E-01 6.08699480E-01 6.60191389E-01 6.64320163E-01 6.86856130E-01 7.61871862E-01 7.62234744E-01 8.05283109E-01 8.12526752E-01 8.59394581E-01 8.72795173E-01 8.72939819E-01 9.92966114E-01 1.08578393E+00 1.10582489E+00 1.63907165E+00 2.39988323E+00 4.82019670E+00 Alpha MO coefficients R N= 3844 4.61776053E-05 8.30306224E-05 -1.04530615E-03 7.65152083E-06 -5.05595568E-06 -4.67236543E-06 -1.58925242E-04 1.17964553E-04 8.82208123E-05 -5.97442297E-05 -6.43015565E-05 1.07017358E-04 2.09712589E-07 1.40917518E-06 -6.60016268E-07 -6.29571468E-07 1.11979895E-06 -4.04154577E-06 -1.32811611E-05 8.12864257E-06 5.83112510E-06 -1.38900338E-05 3.08818918E-04 3.74267294E-04 6.48969829E-04 1.05742949E-05 -7.38146062E-06 -6.19019099E-06 -1.03973456E-04 1.64995582E-04 -1.51133593E-06 -4.55652423E-04 5.39572042E-04 1.16418857E-04 -1.69990687E-05 -3.04981487E-06 5.67089299E-06 -7.57027760E-06 -2.86780993E-05 1.13293875E-04 2.06447052E-05 -3.66726114E-05 5.11939927E-05 1.91239159E-04 9.01950907E-05 -4.84219428E-05 2.62399957E-03 -1.38307761E-04 1.68896622E-04 3.18821868E-05 1.04762957E-03 -1.50599254E-03 -8.80577075E-05 9.98823723E-01 6.74824321E-03 -5.15932818E-03 -1.05639977E-03 1.56342768E-03 5.82973445E-05 9.77395683E-04 -1.46284695E-03 -4.28224492E-05 1.06567290E-03 1.70186027E-03 1.41982933E-03 4.60801179E-06 -1.23358589E-05 3.50284932E-06 1.26583648E-03 -8.43726513E-04 -7.68772462E-04 5.97044468E-05 -7.90941969E-05 -9.48225693E-06 -7.00907238E-06 8.83510798E-06 -2.29687849E-06 -8.70350197E-06 -6.19024067E-06 3.80422359E-05 -4.01481193E-05 8.23780470E-06 4.24584661E-05 3.79859150E-05 1.54679548E-03 2.42271514E-03 -7.64567288E-04 8.84474579E-05 -1.04161446E-04 -2.29407570E-05 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1.97556236E-01 -2.75549886E-01 3.06585310E-02 -3.37281686E-01 1.76432040E-01 -4.44295808E-01 6.19674929E-01 -6.93370475E-02 1.79612474E-05 3.50905304E-05 -6.05623550E-06 8.51984159E-03 5.47059227E-03 8.02015760E-03 -1.15690330E-01 -7.43909517E-02 -1.08934409E-01 9.48673028E-02 6.08510429E-02 8.92639191E-02 1.45093779E-01 -9.12245421E-02 2.14993407E-01 -2.99130649E-01 4.47413000E-02 -3.43545743E-01 2.16666447E-01 -5.10097534E-01 7.09691249E-01 -1.06615177E-01 -3.00644930E-05 1.14728808E-04 -2.96910039E-04 -6.34620695E-02 -4.07444380E-02 -5.97046065E-02 -2.08062079E-01 -1.33476453E-01 -1.95872378E-01 3.42215634E-05 -3.60096055E-04 3.14729778E-04 -5.94891038E-02 -3.83381375E-02 -5.60994988E-02 1.96447095E-01 1.26173400E-01 1.85004653E-01 -6.96919736E-02 -1.33898550E-01 2.01908232E-01 1.07312251E-02 -2.31993433E-02 4.42423609E-03 1.62410323E-02 2.45529637E-01 -1.84710609E-01 8.20680365E-03 -1.15688232E-01 7.02254745E-02 -1.61322439E-01 1.92040624E-01 -4.49564053E-02 -1.91376324E-01 -1.48688155E-01 3.46663515E-01 -4.68847822E-01 1.28848129E-01 4.46808188E-01 2.87804204E-01 6.34145761E-02 7.61825839E-02 -2.41475053E-01 1.40388691E-02 -1.97082047E-03 -1.35687341E-02 -2.49663861E-01 3.69371341E-02 2.39850229E-01 1.16658417E-01 3.99926838E-03 -1.26689419E-01 -2.12749949E-01 1.51459318E-01 -2.23686122E-02 -2.03209337E-01 -2.52563005E-01 5.11202645E-01 -3.61169351E-01 5.19408808E-02 4.86361548E-01 6.08437866E-01 -2.91429652E-02 1.76755594E-01 -1.04405783E-01 -2.77522983E-01 2.42535471E-01 1.29563427E-01 -6.78024185E-03 -1.04292033E-01 7.88823277E-02 1.16006754E-02 -2.13110611E-01 3.82364870E-01 -1.79038740E-02 1.91964636E-02 6.25015606E-03 -5.80549977E-02 2.00890970E-01 -7.57100285E-02 -1.90819180E-02 -8.37341146E-02 5.25179605E-01 -4.09374462E-03 1.77978588E-03 3.12899462E-03 -6.06023958E-02 7.33012824E-02 1.44751764E-02 1.09412885E-01 -3.73315271E-02 -9.05707290E-02 -1.26804952E-02 -3.15929990E-02 2.13835600E-02 1.31985415E-02 -3.79455590E-02 5.30929052E-02 1.21918168E-01 -8.57815609E-02 -5.02508080E-02 1.53141082E-01 2.24742229E-01 5.40934745E-01 -4.41872021E-01 -1.69258162E-02 1.45676095E-02 8.04506893E-03 3.26420417E-01 -4.75681972E-01 -2.30722801E-02 1.64363265E-01 -1.91690151E-01 -4.40511004E-02 6.46860560E-02 7.17474420E-03 -1.80540165E-02 3.23558942E-02 1.06586228E-01 -2.38321387E-01 -5.11094883E-02 8.23089540E-02 -1.02356241E-01 -4.06678186E-01 -1.93195710E-02 -8.57994508E-02 -2.65358704E+00 -1.16753788E-01 2.21616180E-01 -2.66138609E-02 -3.40925673E-01 7.30860278E-01 -1.34249925E-01 8.55261560E-02 -1.97084049E+00 3.70330672E+00 2.67506576E-02 -1.60530371E-02 -1.73905345E-02 -6.71857665E-01 8.70015605E-01 1.21155289E-01 -1.62075759E+00 -3.02197238E+00 -3.99879503E-01 -1.35148965E-02 1.37796970E-02 4.96035205E-03 -1.96087692E+00 1.56305547E+00 1.01672566E+00 2.60836372E-01 -2.05071239E-01 -1.37224937E-01 -5.13282599E-02 -8.18230496E-02 6.59331630E-02 2.83149171E-02 -1.27909062E-01 2.25900094E-01 3.51124758E-01 -2.84896159E-01 -1.18837028E-01 5.57858667E-01 3.22056299E-01 7.45076055E-01 5.68193804E-01 1.94786384E-02 -1.22057655E-02 -1.23606423E-02 -3.29784151E+00 2.96272440E+00 1.48263812E+00 2.48861556E-01 -2.43144600E-01 -9.84991287E-02 3.54629519E-02 8.20123461E-02 -6.15622353E-02 -3.67215637E-02 1.02816649E-01 -1.26133145E-01 -3.26956296E-01 2.42157268E-01 1.55067638E-01 -3.85734655E-01 -7.33022321E-03 -8.62737393E-01 3.45046652E+00 1.68698856E-01 -2.90826471E-01 1.88104516E-02 -5.44154767E-01 7.85489520E-01 4.23899245E-02 -1.55931298E-03 1.67141776E-01 -6.11097611E-01 3.43315004E-02 -1.21738676E-02 -2.81689065E-02 1.57493689E-01 -3.35918874E-01 6.13477700E-02 4.97010245E-01 6.79101524E-01 5.42653144E-01 1.54401408E-02 -1.64123539E-02 -5.20829470E-03 7.00007270E-02 5.58713419E-02 -1.12376240E-01 4.62672165E-01 -5.29269699E-01 -1.30623829E-01 -3.28936849E-02 -4.05115435E-02 3.54628003E-02 1.06284234E-02 -7.52432561E-02 1.57862368E-01 1.97752610E-01 -1.71918176E-01 -5.29855899E-02 3.62974943E-01 2.47220039E+00 4.24491547E+00 -1.74011500E+00 2.89077011E-02 -4.32460397E-02 -1.24057244E-03 2.52538818E+00 -2.62350825E+00 -8.93589895E-01 -5.82105769E-01 7.49060889E-01 1.07703842E-01 4.35552886E-02 3.07058702E-02 -3.17517331E-02 1.89936779E-03 8.65922669E-02 -3.01280842E-01 -2.17523083E-01 2.20036872E-01 -1.17558614E-02 -6.01732427E-01 4.02285639E-02 1.06890230E+00 -3.51908444E+00 6.38267864E-02 -5.92011224E-02 -2.74316501E-02 2.63914441E+00 -2.97581095E+00 -7.74742181E-01 4.30736243E-03 6.87876577E-01 -2.08598609E+00 1.42264389E-01 -1.30671706E-01 -6.18766951E-02 -3.93633806E-01 1.70117182E-01 3.00717169E-01 Total SCF Density R N= 1953 2.00950026E+00 1.71532575E-02 4.14824045E-01 -9.47575265E-03 1.65319211E-01 2.00767094E-01 -3.84743047E-03 -3.39127879E-02 9.06560075E-03 1.99148868E+00 3.70941795E-03 2.86094334E-02 -6.79958310E-03 -4.51321540E-04 1.99131299E+00 1.55721170E-03 1.65115680E-02 -4.99084773E-03 -2.68861513E-04 2.29017088E-04 1.99107525E+00 -2.50608745E-03 3.32741249E-02 3.91089881E-02 3.41915342E-02 2.14841906E-03 3.84774610E-04 1.08792934E-02 1.89873446E-03 -2.65755713E-02 -3.22361062E-02 1.55001974E-03 3.41673303E-02 -4.42394088E-04 -5.19275785E-03 9.12318524E-03 1.36670133E-03 -1.72144416E-02 -1.95531706E-02 7.92359294E-04 -1.07758291E-03 3.58259801E-02 -2.93967880E-03 2.55098035E-03 6.15948616E-03 -3.87749366E-04 -1.34910462E-02 2.37548079E-02 -1.08675896E-02 -4.35180940E-03 -2.73367283E-03 3.73110960E-03 -3.52784196E-03 -2.18377364E-03 7.93234821E-03 4.12948265E-04 8.79814181E-03 -2.02283712E-02 -4.59710109E-03 -1.25426255E-02 2.36428666E-03 -3.54877139E-03 2.30953390E-03 1.79133740E-03 -5.64611639E-03 5.95314057E-03 1.30259281E-04 8.32604696E-03 -1.14377994E-02 -2.56630721E-03 2.10374926E-03 -1.49444757E-02 -2.16989119E-03 1.76952771E-03 5.07494293E-04 -3.33683150E-03 2.73272366E-03 2.84665510E-03 1.38577823E-03 2.25714635E-02 1.29038278E-01 1.44017989E-03 -1.14067443E-03 -7.61800136E-06 2.94068213E-02 -2.41773671E-02 4.86559826E-03 3.26117539E-02 -2.78681897E-02 3.06709909E-03 1.50504301E+00 3.02683067E-03 2.96328076E-02 1.89510474E-01 2.31671778E-03 -1.51661501E-03 -1.79208539E-03 3.64185975E-02 -2.01307630E-02 -3.57731907E-02 4.05698164E-02 -2.58938269E-02 -3.56029665E-02 5.85548399E-03 1.49712112E+00 -2.23593124E-03 -2.53960333E-02 -1.56645910E-01 -1.43354673E-03 1.57807352E-03 1.38575592E-03 -2.03844177E-02 2.77593896E-02 2.94385039E-02 -2.45135986E-02 3.21214495E-02 2.93563875E-02 -4.85779481E-03 1.67555380E-02 1.50411915E+00 -1.27289952E-03 -8.43036995E-03 -6.10360843E-02 -1.56716355E-03 -4.17542666E-05 3.80580035E-04 -3.13208738E-02 -1.22927530E-02 4.42138733E-03 -3.12651837E-02 -9.52161315E-03 4.54283423E-03 3.85036495E-03 1.04413714E-02 8.05173869E-03 1.48907057E+00 3.91335477E-03 5.26742206E-02 3.12448879E-01 3.25182993E-03 -2.89790356E-03 -1.35036959E-03 5.89714421E-02 -5.52480328E-02 -2.03647441E-02 6.67051582E-02 -6.42040092E-02 -2.28538627E-02 -1.87059916E-02 -8.54519622E-03 1.01284037E-02 2.97421947E-04 1.48957130E+00 9.32983013E-04 4.15836654E-03 4.33889838E-02 8.20223589E-04 -6.42563512E-04 -1.32664530E-03 9.71626428E-03 -7.99789497E-03 1.56083216E-03 1.14856256E-02 -9.77857958E-03 8.92935298E-04 5.08030254E-01 1.73264682E-03 -1.43334234E-03 7.43415900E-04 -3.60455776E-03 1.71589871E-01 1.76473011E-03 4.99688387E-03 6.39100904E-02 1.79492685E-03 -1.89443398E-03 -9.96608541E-05 1.20836343E-02 -6.71967155E-03 -1.17875262E-02 1.43842016E-02 -9.24943503E-03 -1.24381283E-02 1.75124955E-03 5.06398857E-01 3.42702773E-03 2.25670944E-03 -1.04425508E-03 6.25156018E-04 1.71511056E-01 -1.35085403E-03 -4.42015359E-03 -5.27937025E-02 -1.85070316E-03 9.95681135E-04 3.71124092E-05 -6.80260153E-03 9.20360237E-03 9.68846365E-03 -8.78781599E-03 1.13214823E-02 1.02374147E-02 -1.48596567E-03 3.45811544E-03 5.07861140E-01 1.94223979E-03 1.52560834E-03 -5.23659646E-04 2.58084224E-04 1.71632191E-01 -6.85631681E-04 -1.26051584E-03 -2.06501065E-02 2.57934196E-04 1.56299456E-03 4.00216479E-04 -1.03124724E-02 -3.96963220E-03 1.48213684E-03 -1.08601028E-02 -3.11126697E-03 1.63513004E-03 7.58565687E-04 2.29543730E-03 1.96944930E-03 5.04040736E-01 -2.05221693E-04 2.83835085E-05 2.79699699E-04 4.53839149E-04 1.70675050E-01 2.48097075E-03 9.44439669E-03 1.05168346E-01 2.68832527E-03 -1.85530439E-03 -1.81844818E-03 1.95301824E-02 -1.82981270E-02 -6.76941731E-03 2.36013146E-02 -2.25937146E-02 -8.23872814E-03 -3.61790888E-03 -1.04451938E-03 1.53139240E-03 -1.65289694E-04 5.05787101E-01 -1.20345824E-04 5.63985056E-04 -3.56297556E-04 -2.61152816E-04 1.72226044E-01 -2.82902970E-03 5.62151475E-03 5.59751982E-03 1.17404209E-03 -4.04969291E-04 -9.70482125E-04 2.46826616E-03 -2.25673856E-03 -1.08247970E-03 -1.61107951E-03 1.74845916E-03 5.19134641E-04 -7.73681314E-04 -6.83450992E-04 7.17867831E-04 1.05989194E-04 -1.61980662E-03 -1.41410544E-03 -1.86122882E-03 1.60289942E-03 5.39367325E-04 -3.30278016E-03 2.00053924E+00 -3.28366209E-03 2.90421090E-01 1.01074788E-01 -7.18759841E-03 7.40906062E-03 2.58258314E-03 1.43587255E-02 -1.28449617E-02 -6.48734132E-03 -1.42624989E-02 1.13028041E-02 7.44044057E-03 -3.39727514E-02 -5.46136775E-02 4.38136473E-02 1.89530421E-02 -8.49190550E-02 -1.36106301E-02 -2.10421767E-02 1.70936806E-02 7.07700675E-03 -3.35500969E-02 8.06914546E-03 3.40018236E-01 4.83136488E-03 1.52054453E-01 -6.08951988E-02 -2.05073686E-02 1.70924298E-02 1.01260615E-02 -1.21912856E-02 9.37016994E-03 6.55742623E-03 -3.23823857E-02 2.63113655E-02 1.64517291E-02 -9.61242966E-02 -1.41281864E-01 1.16741335E-01 4.55471509E-02 -2.32806055E-01 -3.54508818E-02 -5.20780470E-02 4.30600691E-02 1.67936141E-02 -8.58464289E-02 -1.90202123E-03 1.50310383E-01 1.98134572E-01 1.03568596E-03 4.03142797E-02 9.26617204E-03 -3.67493609E-04 -6.16054081E-04 -2.41174852E-04 -4.45517099E-03 1.16534692E-03 6.40398505E-04 1.32819595E-03 3.68733656E-03 2.02945516E-03 -4.82499770E-03 -1.59589322E-02 2.32712534E-02 -1.54936818E-02 -2.60844646E-02 1.72079909E-04 -2.50896194E-03 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-7.82254261E-05 -3.75898988E-03 3.23365136E-01 1.14426252E-03 -4.19298185E-03 1.28131519E-01 Cartesian Gradient R N= 12 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 Mulliken Charges R N= 4 -1.09668339E-02 -4.75393274E-02 1.24780818E-01 -6.62746567E-02