pAgAZ00n2TDRdFrq density=scf Electron density from Total SCF Density 21 -20.307785 -18.752023 -16.726610 81 0.451067 0.000000 0.000000 84 0.000000 0.451067 0.000000 75 0.000000 0.000000 0.451067 47 19.000000 -3.985217 -0.020992 -0.005194 7 7.000000 -8.480333 -0.032932 -0.007846 6 6.000000 -9.794533 2.175727 -0.029735 6 6.000000 -9.782878 -2.248407 0.020205 6 6.000000 -12.449005 2.247815 -0.024306 6 6.000000 -12.436915 -2.334376 0.027439 6 6.000000 -13.795033 -0.046811 0.004855 1 1.000000 -8.681903 3.899505 -0.051888 1 1.000000 -8.661163 -3.966356 0.036813 1 1.000000 -13.420807 4.054207 -0.042451 1 1.000000 -13.399168 -4.145823 0.050132 1 1.000000 -15.848305 -0.052181 0.009876 47 19.000000 4.257916 0.016538 0.004768 47 19.000000 0.050898 -2.742696 -2.629267 47 19.000000 0.047156 -2.746851 2.622745 47 19.000000 0.020415 2.737728 2.624555 47 19.000000 0.026476 2.747401 -2.627035 47 19.000000 3.880890 0.015550 5.251092 47 19.000000 0.854190 7.276267 0.008237 47 19.000000 3.891078 0.021283 -5.243122 47 19.000000 0.931411 -7.268535 -0.005466 1.65895E-86 1.28768E-84 8.87450E-83 5.43051E-81 2.95052E-79 1.42337E-77 6.09674E-76 2.31867E-74 7.82963E-73 2.34749E-71 6.24927E-70 1.47712E-68 3.10000E-67 5.77657E-66 9.55739E-65 1.40401E-63 1.83131E-62 2.12087E-61 2.18086E-60 1.99114E-59 1.61413E-58 1.16181E-57 7.42495E-57 4.21321E-56 2.12272E-55 9.49588E-55 3.77171E-54 1.33015E-53 4.16512E-53 1.15801E-52 2.85865E-52 6.26570E-52 1.21938E-51 2.10702E-51 3.23267E-51 4.40367E-51 5.32634E-51 5.72011E-51 5.45432E-51 4.61783E-51 3.47134E-51 2.31695E-51 1.37309E-51 7.22503E-52 3.37554E-52 1.40026E-52 5.15742E-53 1.68663E-53 4.89742E-54 1.26263E-54 2.89032E-55 5.87459E-56 1.06016E-56 1.69873E-57 2.41678E-58 3.05291E-59 3.42413E-60 3.40995E-61 3.01514E-62 2.36716E-63 1.65010E-64 1.02130E-65 5.61249E-67 2.73855E-68 1.18644E-69 4.56387E-71 1.55877E-72 4.72706E-74 1.27280E-75 3.04294E-77 6.45931E-79 1.21742E-80 2.03730E-82 3.02713E-84 3.99364E-86 2.16293E-84 1.67887E-82 1.15705E-80 7.08027E-79 3.84687E-77 1.85578E-75 7.94889E-74 3.02307E-72 1.02082E-70 3.06065E-69 8.14776E-68 1.92586E-66 4.04176E-65 7.53146E-64 1.24609E-62 1.83054E-61 2.38765E-60 2.76518E-59 2.84339E-58 2.59604E-57 2.10449E-56 1.51476E-55 9.68061E-55 5.49316E-54 2.76760E-53 1.23807E-52 4.91753E-52 1.73425E-51 5.43045E-51 1.50981E-50 3.72709E-50 8.16918E-50 1.58982E-49 2.74713E-49 4.21474E-49 5.74148E-49 6.94445E-49 7.45784E-49 7.11131E-49 6.02070E-49 4.52591E-49 3.02083E-49 1.79022E-49 9.41995E-50 4.40101E-50 1.82565E-50 6.72422E-51 2.19902E-51 6.38523E-52 1.64621E-52 3.76839E-53 7.65926E-54 1.38223E-54 2.21479E-55 3.15099E-56 3.98036E-57 4.46436E-58 4.44588E-59 3.93112E-60 3.08629E-61 2.15139E-62 1.33156E-63 7.31753E-65 3.57050E-66 1.54688E-67 5.95035E-69 2.03231E-70 6.16311E-72 1.65948E-73 3.96737E-75 8.42161E-77 1.58726E-78 2.65622E-80 3.94676E-82 5.20688E-84 2.50388E-82 1.94351E-80 1.33944E-78 8.19634E-77 4.45326E-75 2.14831E-73 9.20188E-72 3.49960E-70 1.18174E-68 3.54310E-67 9.43210E-66 2.22943E-64 4.67887E-63 8.71865E-62 1.44251E-60 2.11909E-59 2.76401E-58 3.20105E-57 3.29160E-56 3.00526E-55 2.43623E-54 1.75354E-53 1.12066E-52 6.35905E-52 3.20385E-51 1.43323E-50 5.69269E-50 2.00762E-49 6.28646E-49 1.74780E-48 4.31459E-48 9.45689E-48 1.84042E-47 3.18016E-47 4.87911E-47 6.64651E-47 8.03911E-47 8.63343E-47 8.23227E-47 6.96975E-47 5.23933E-47 3.49700E-47 2.07242E-47 1.09048E-47 5.09474E-48 2.11342E-48 7.78417E-49 2.54565E-49 7.39174E-50 1.90570E-50 4.36240E-51 8.86659E-52 1.60011E-52 2.56391E-53 3.64768E-54 4.60779E-55 5.16809E-56 5.14669E-57 4.55079E-58 3.57279E-59 2.49051E-60 1.54146E-61 8.47100E-63 4.13333E-64 1.79071E-65 6.88831E-67 2.35267E-68 7.13461E-70 1.92106E-71 4.59275E-73 9.74912E-75 1.83747E-76 3.07492E-78 4.56889E-80 6.02765E-82 2.57362E-80 1.99765E-78 1.37675E-76 8.42463E-75 4.57729E-73 2.20815E-71 9.45819E-70 3.59707E-68 1.21465E-66 3.64179E-65 9.69482E-64 2.29153E-62 4.80920E-61 8.96150E-60 1.48269E-58 2.17811E-57 2.84100E-56 3.29021E-55 3.38328E-54 3.08896E-53 2.50408E-52 1.80238E-51 1.15187E-50 6.53617E-50 3.29309E-49 1.47315E-48 5.85125E-48 2.06354E-47 6.46156E-47 1.79649E-46 4.43477E-46 9.72030E-46 1.89169E-45 3.26874E-45 5.01501E-45 6.83164E-45 8.26303E-45 8.87390E-45 8.46157E-45 7.16389E-45 5.38527E-45 3.59441E-45 2.13014E-45 1.12086E-45 5.23665E-46 2.17229E-46 8.00098E-47 2.61656E-47 7.59763E-48 1.95879E-48 4.48391E-49 9.11356E-50 1.64468E-50 2.63532E-51 3.74929E-52 4.73614E-53 5.31204E-54 5.29004E-55 4.67755E-56 3.67230E-57 2.55988E-58 1.58439E-59 8.70695E-61 4.24846E-62 1.84059E-63 7.08018E-65 2.41820E-66 7.33334E-68 1.97457E-69 4.72067E-71 1.00207E-72 1.88865E-74 3.16057E-76 4.69615E-78 6.19554E-80 2.34875E-78 1.82310E-76 1.25645E-74 7.68853E-73 4.17735E-71 2.01521E-69 8.63178E-68 3.28278E-66 1.10852E-64 3.32359E-63 8.84774E-62 2.09131E-60 4.38899E-59 8.17849E-58 1.35314E-56 1.98780E-55 2.59277E-54 3.00273E-53 3.08767E-52 2.81907E-51 2.28529E-50 1.64490E-49 1.05123E-48 5.96508E-48 3.00536E-47 1.34443E-46 5.34000E-46 1.88324E-45 5.89699E-45 1.63952E-44 4.04728E-44 8.87099E-44 1.72640E-43 2.98313E-43 4.57683E-43 6.23473E-43 7.54105E-43 8.09855E-43 7.72224E-43 6.53794E-43 4.91473E-43 3.28035E-43 1.94402E-43 1.02292E-43 4.77910E-44 1.98249E-44 7.30190E-45 2.38794E-45 6.93378E-46 1.78764E-46 4.09213E-47 8.31726E-48 1.50097E-48 2.40506E-49 3.42169E-50 4.32232E-51 4.84790E-52 4.82783E-53 4.26885E-54 3.35144E-55 2.33621E-56 1.44596E-57 7.94618E-59 3.87725E-60 1.67977E-61 6.46155E-63 2.20691E-64 6.69259E-66 1.80204E-67 4.30820E-69 9.14511E-71 1.72363E-72 2.88442E-74 4.28582E-76 5.65420E-78 1.90323E-76 1.47729E-74 1.01812E-72 6.23013E-71 3.38497E-69 1.63295E-67 6.99446E-66 2.66008E-64 8.98251E-63 2.69315E-61 7.16945E-60 1.69462E-58 3.55646E-57 6.62715E-56 1.09647E-54 1.61074E-53 2.10096E-52 2.43316E-51 2.50198E-50 2.28433E-49 1.85180E-48 1.33288E-47 8.51825E-47 4.83359E-46 2.43529E-45 1.08941E-44 4.32708E-44 1.52601E-43 4.77841E-43 1.32853E-42 3.27957E-42 7.18829E-42 1.39893E-41 2.41728E-41 3.70867E-41 5.05209E-41 6.11062E-41 6.56237E-41 6.25745E-41 5.29779E-41 3.98248E-41 2.65811E-41 1.57527E-41 8.28889E-42 3.87257E-42 1.60644E-42 5.91684E-43 1.93498E-43 5.61855E-44 1.44855E-44 3.31591E-45 6.73960E-46 1.21626E-46 1.94886E-47 2.77265E-48 3.50244E-49 3.92832E-50 3.91206E-51 3.45911E-52 2.71572E-53 1.89307E-54 1.17168E-55 6.43891E-57 3.14179E-58 1.36114E-59 5.23589E-61 1.78829E-62 5.42310E-64 1.46022E-65 3.49100E-67 7.41042E-69 1.39668E-70 2.33728E-72 3.47286E-74 4.58168E-76 1.36932E-74 1.06287E-72 7.32513E-71 4.48241E-69 2.43540E-67 1.17487E-65 5.03233E-64 1.91386E-62 6.46268E-61 1.93765E-59 5.15823E-58 1.21923E-56 2.55878E-55 4.76806E-54 7.88879E-53 1.15889E-51 1.51158E-50 1.75059E-49 1.80011E-48 1.64351E-47 1.33232E-46 9.58974E-46 6.12865E-45 3.47764E-44 1.75212E-43 7.83802E-43 3.11322E-42 1.09793E-41 3.43794E-41 9.55839E-41 2.35957E-40 5.17179E-40 1.00649E-39 1.73917E-39 2.66829E-39 3.63485E-39 4.39643E-39 4.72145E-39 4.50207E-39 3.81162E-39 2.86529E-39 1.91244E-39 1.13336E-39 5.96364E-40 2.78621E-40 1.15579E-40 4.25701E-41 1.39217E-41 4.04239E-42 1.04219E-42 2.38571E-43 4.84896E-44 8.75067E-45 1.40215E-45 1.99485E-46 2.51991E-47 2.82632E-48 2.81462E-49 2.48874E-50 1.95389E-51 1.36201E-52 8.42992E-54 4.63262E-55 2.26043E-56 9.79304E-58 3.76708E-59 1.28663E-60 3.90178E-62 1.05059E-63 2.51168E-65 5.33160E-67 1.00487E-68 1.68161E-70 2.49863E-72 3.29640E-74 8.74744E-73 6.78977E-71 4.67941E-69 2.86344E-67 1.55577E-65 7.50524E-64 3.21473E-62 1.22260E-60 4.12846E-59 1.23780E-57 3.29516E-56 7.78865E-55 1.63459E-53 3.04591E-52 5.03949E-51 7.40315E-50 9.65624E-49 1.11831E-47 1.14994E-46 1.04990E-45 8.51109E-45 6.12608E-44 3.91508E-43 2.22157E-42 1.11929E-41 5.00706E-41 1.98877E-40 7.01373E-40 2.19621E-39 6.10605E-39 1.50733E-38 3.30382E-38 6.42963E-38 1.11101E-37 1.70455E-37 2.32200E-37 2.80851E-37 3.01614E-37 2.87599E-37 2.43492E-37 1.83039E-37 1.22170E-37 7.24011E-38 3.80967E-38 1.77988E-38 7.38337E-39 2.71944E-39 8.89338E-40 2.58235E-40 6.65769E-41 1.52403E-41 3.09760E-42 5.59007E-43 8.95716E-44 1.27434E-44 1.60976E-45 1.80550E-46 1.79802E-47 1.58985E-48 1.24817E-49 8.70075E-51 5.38517E-52 2.95939E-53 1.44400E-54 6.25595E-56 2.40647E-57 8.21919E-59 2.49252E-60 6.71133E-62 1.60450E-63 3.40591E-65 6.41929E-67 1.07424E-68 1.59617E-70 2.10579E-72 4.96156E-71 3.85117E-69 2.65416E-67 1.62414E-65 8.82434E-64 4.25698E-62 1.82340E-60 6.93462E-59 2.34167E-57 7.02083E-56 1.86902E-54 4.41773E-53 9.27142E-52 1.72764E-50 2.85840E-49 4.19908E-48 5.47703E-47 6.34304E-46 6.52246E-45 5.95506E-44 4.82750E-43 3.47472E-42 2.22064E-41 1.26008E-40 6.34860E-40 2.84001E-39 1.12803E-38 3.97820E-38 1.24569E-37 3.46336E-37 8.54959E-37 1.87393E-36 3.64690E-36 6.30165E-36 9.66821E-36 1.31704E-35 1.59299E-35 1.71076E-35 1.63127E-35 1.38109E-35 1.03820E-35 6.92949E-36 4.10660E-36 2.16085E-36 1.00955E-36 4.18786E-37 1.54247E-37 5.04433E-38 1.46471E-38 3.77625E-39 8.64431E-40 1.75696E-40 3.17069E-41 5.08051E-42 7.22807E-43 9.13057E-44 1.02408E-44 1.01984E-45 9.01762E-47 7.07966E-48 4.93507E-49 3.05447E-50 1.67857E-51 8.19039E-53 3.54838E-54 1.36495E-55 4.66193E-57 1.41376E-58 3.80667E-60 9.10075E-62 1.93184E-63 3.64103E-65 6.09311E-67 9.05347E-69 1.19441E-70 2.49871E-69 1.93950E-67 1.33668E-65 8.17942E-64 4.44407E-62 2.14388E-60 9.18290E-59 3.49238E-57 1.17930E-55 3.53579E-54 9.41264E-53 2.22483E-51 4.66922E-50 8.70066E-49 1.43953E-47 2.11471E-46 2.75831E-45 3.19445E-44 3.28480E-43 2.99906E-42 2.43120E-41 1.74992E-40 1.11835E-39 6.34593E-39 3.19725E-38 1.43027E-37 5.68095E-37 2.00348E-36 6.27350E-36 1.74420E-35 4.30570E-35 9.43740E-35 1.83663E-34 3.17361E-34 4.86906E-34 6.63282E-34 8.02255E-34 8.61564E-34 8.21531E-34 6.95539E-34 5.22854E-34 3.48980E-34 2.06814E-34 1.08824E-34 5.08424E-35 2.10907E-35 7.76811E-36 2.54040E-36 7.37649E-37 1.90177E-37 4.35340E-38 8.84830E-39 1.59681E-39 2.55862E-40 3.64016E-41 4.59829E-42 5.15742E-43 5.13607E-44 4.54140E-45 3.56542E-46 2.48537E-47 1.53828E-48 8.45353E-50 4.12480E-51 1.78702E-52 6.87410E-54 2.34782E-55 7.11989E-57 1.91710E-58 4.58327E-60 9.72900E-62 1.83367E-63 3.06858E-65 4.55946E-67 6.01521E-69 1.11731E-67 8.67261E-66 5.97703E-64 3.65748E-62 1.98719E-60 9.58647E-59 4.10619E-57 1.56164E-55 5.27330E-54 1.58105E-52 4.20892E-51 9.94847E-50 2.08787E-48 3.89055E-47 6.43696E-46 9.45608E-45 1.23340E-43 1.42842E-42 1.46882E-41 1.34105E-40 1.08713E-39 7.82487E-39 5.00075E-38 2.83762E-37 1.42967E-36 6.39554E-36 2.54027E-35 8.95869E-35 2.80524E-34 7.79931E-34 1.92532E-33 4.22000E-33 8.21264E-33 1.41910E-32 2.17724E-32 2.96592E-32 3.58735E-32 3.85255E-32 3.67354E-32 3.11016E-32 2.33798E-32 1.56049E-32 9.24786E-33 4.86612E-33 2.27345E-33 9.43084E-34 3.47357E-34 1.13596E-34 3.29845E-35 8.50390E-36 1.94665E-36 3.95657E-37 7.14022E-38 1.14410E-38 1.62772E-39 2.05615E-40 2.30617E-41 2.29663E-42 2.03072E-43 1.59430E-44 1.11135E-45 6.87850E-47 3.78005E-48 1.84443E-49 7.99076E-51 3.07380E-52 1.04984E-53 3.18370E-55 8.57241E-57 2.04944E-58 4.35038E-60 8.19939E-62 1.37213E-63 2.03879E-65 2.68974E-67 4.43604E-66 3.44326E-64 2.37304E-62 1.45212E-60 7.88969E-59 3.80609E-57 1.63027E-55 6.20013E-54 2.09364E-52 6.27721E-51 1.67106E-49 3.94982E-48 8.28941E-47 1.54466E-45 2.55565E-44 3.75432E-43 4.89692E-42 5.67121E-41 5.83162E-40 5.32432E-39 4.31619E-38 3.10669E-37 1.98544E-36 1.12661E-35 5.67618E-35 2.53921E-34 1.00856E-33 3.55685E-33 1.11376E-32 3.09655E-32 7.64410E-32 1.67547E-31 3.26066E-31 5.63426E-31 8.64429E-31 1.17756E-30 1.42429E-30 1.52958E-30 1.45851E-30 1.23483E-30 9.28250E-31 6.19561E-31 3.67168E-31 1.93200E-31 9.02628E-32 3.74432E-32 1.37910E-32 4.51007E-33 1.30958E-33 3.37629E-34 7.72875E-35 1.57087E-35 2.83486E-36 4.54240E-37 6.46249E-38 8.16349E-39 9.15614E-40 9.11823E-41 8.06250E-42 6.32980E-43 4.41236E-44 2.73095E-45 1.50078E-46 7.32289E-48 3.17255E-49 1.22038E-50 4.16815E-52 1.26402E-53 3.40348E-55 8.13683E-57 1.72722E-58 3.25538E-60 5.44775E-62 8.09456E-64 1.06790E-65 1.56379E-64 1.21381E-62 8.36541E-61 5.11899E-59 2.78126E-57 1.34172E-55 5.74700E-54 2.18566E-52 7.38048E-51 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