Ag4 -1 Freq UB3LYP LANL2DZ Number of atoms I 4 Charge I -1 Multiplicity I 2 Number of electrons I 77 Number of alpha electrons I 39 Number of beta electrons I 38 Number of basis functions I 88 Number of independant functions I 88 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 30 26 1002 0 0 100 6 18 -501 Num ILSW I 100 ILSW I N= 100 1 0 0 0 2 0 0 0 0 0 402 200000 4 0 0 0 0 0 0 800000 1 0 1 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 32 Highest angular momentum I 2 Largest degree of contraction I 4 Number of primitive shells I 72 Pure/Cartesian d shells I 0 Pure/Cartesian f shells I 0 Virial Ratio R 3.700835838321991E+00 SCF Energy R -5.832341784050463E+02 Total Energy R -5.832341784050463E+02 S**2 R 7.552028466773848E-01 S**2 after annihilation R 7.500114853294416E-01 RMS Force R 1.458848951950879E-06 RMS Density R 5.272131964621478E-10 Atomic numbers I N= 4 47 47 47 47 Nuclear charges R N= 4 1.90000000E+01 1.90000000E+01 1.90000000E+01 1.90000000E+01 Current cartesian coordinates R N= 12 -1.39730130E-01 0.00000000E+00 -7.85407976E-02 7.61918680E-02 0.00000000E+00 5.22583920E+00 4.65899506E+00 0.00000000E+00 2.54570866E+00 4.44307306E+00 0.00000000E+00 -2.75867134E+00 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= 4 107 107 107 107 Real atomic weights R N= 4 1.06905090E+02 1.06905090E+02 1.06905090E+02 1.06905090E+02 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 1 1 1 1 Nuclear ZEff R N= 4 -2.45340000E+02 -2.45340000E+02 -2.45340000E+02 -2.45340000E+02 Nuclear QMom R N= 4 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 Nuclear GFac R N= 4 -1.13570000E-01 -1.13570000E-01 -1.13570000E-01 -1.13570000E-01 MicOpt I N= 4 -1 -1 -1 -1 Constraint Structure R N= 12 -1.39730130E-01 0.00000000E+00 -7.85407976E-02 7.61918680E-02 0.00000000E+00 5.22583920E+00 4.65899506E+00 0.00000000E+00 2.54570866E+00 4.44307306E+00 0.00000000E+00 -2.75867134E+00 ONIOM Charges I N= 16 -1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ONIOM Multiplicities I N= 16 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Atom Layers I N= 4 0 0 0 0 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 3 NBond I N= 4 3 2 3 2 IBond I N= 12 2 3 4 1 3 0 1 2 4 1 3 0 RBond R N= 12 1.00000000E+00 1.00000000E+00 1.00000000E+00 1.00000000E+00 1.00000000E+00 0.00000000E+00 1.00000000E+00 1.00000000E+00 1.00000000E+00 1.00000000E+00 1.00000000E+00 0.00000000E+00 Shell types I N= 32 0 0 0 1 1 1 -2 -2 0 0 0 1 1 1 -2 -2 0 0 0 1 1 1 -2 -2 0 0 0 1 1 1 -2 -2 Number of primitives per shell I N= 32 3 4 1 3 2 1 3 1 3 4 1 3 2 1 3 1 3 4 1 3 2 1 3 1 3 4 1 3 2 1 3 1 Shell to atom map I N= 32 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 Primitive exponents R N= 72 2.95000000E+00 2.14900000E+00 6.68400000E-01 2.95000000E+00 2.14900000E+00 6.68400000E-01 9.97000000E-02 3.47000000E-02 6.55300000E+00 1.56500000E+00 5.74800000E-01 9.08500000E-01 8.33000000E-02 2.52000000E-02 3.39100000E+00 1.59900000E+00 6.28200000E-01 2.10800000E-01 2.95000000E+00 2.14900000E+00 6.68400000E-01 2.95000000E+00 2.14900000E+00 6.68400000E-01 9.97000000E-02 3.47000000E-02 6.55300000E+00 1.56500000E+00 5.74800000E-01 9.08500000E-01 8.33000000E-02 2.52000000E-02 3.39100000E+00 1.59900000E+00 6.28200000E-01 2.10800000E-01 2.95000000E+00 2.14900000E+00 6.68400000E-01 2.95000000E+00 2.14900000E+00 6.68400000E-01 9.97000000E-02 3.47000000E-02 6.55300000E+00 1.56500000E+00 5.74800000E-01 9.08500000E-01 8.33000000E-02 2.52000000E-02 3.39100000E+00 1.59900000E+00 6.28200000E-01 2.10800000E-01 2.95000000E+00 2.14900000E+00 6.68400000E-01 2.95000000E+00 2.14900000E+00 6.68400000E-01 9.97000000E-02 3.47000000E-02 6.55300000E+00 1.56500000E+00 5.74800000E-01 9.08500000E-01 8.33000000E-02 2.52000000E-02 3.39100000E+00 1.59900000E+00 6.28200000E-01 2.10800000E-01 Contraction coefficients R N= 72 -1.79105558E+00 2.02445653E+00 6.07283758E-01 1.01411151E+00 -1.24139640E+00 -4.90142462E-01 1.11283746E+00 1.00000000E+00 -1.07911702E-01 7.40364515E-01 3.72100807E-01 -4.18371335E-02 1.00875981E+00 1.00000000E+00 1.39693793E-01 4.74442076E-01 5.15631074E-01 1.00000000E+00 -1.79105558E+00 2.02445653E+00 6.07283758E-01 1.01411151E+00 -1.24139640E+00 -4.90142462E-01 1.11283746E+00 1.00000000E+00 -1.07911702E-01 7.40364515E-01 3.72100807E-01 -4.18371335E-02 1.00875981E+00 1.00000000E+00 1.39693793E-01 4.74442076E-01 5.15631074E-01 1.00000000E+00 -1.79105558E+00 2.02445653E+00 6.07283758E-01 1.01411151E+00 -1.24139640E+00 -4.90142462E-01 1.11283746E+00 1.00000000E+00 -1.07911702E-01 7.40364515E-01 3.72100807E-01 -4.18371335E-02 1.00875981E+00 1.00000000E+00 1.39693793E-01 4.74442076E-01 5.15631074E-01 1.00000000E+00 -1.79105558E+00 2.02445653E+00 6.07283758E-01 1.01411151E+00 -1.24139640E+00 -4.90142462E-01 1.11283746E+00 1.00000000E+00 -1.07911702E-01 7.40364515E-01 3.72100807E-01 -4.18371335E-02 1.00875981E+00 1.00000000E+00 1.39693793E-01 4.74442076E-01 5.15631074E-01 1.00000000E+00 Coordinates of each shell R N= 96 -1.39730130E-01 0.00000000E+00 -7.85407976E-02 -1.39730130E-01 0.00000000E+00 -7.85407976E-02 -1.39730130E-01 0.00000000E+00 -7.85407976E-02 -1.39730130E-01 0.00000000E+00 -7.85407976E-02 -1.39730130E-01 0.00000000E+00 -7.85407976E-02 -1.39730130E-01 0.00000000E+00 -7.85407976E-02 -1.39730130E-01 0.00000000E+00 -7.85407976E-02 -1.39730130E-01 0.00000000E+00 -7.85407976E-02 7.61918680E-02 0.00000000E+00 5.22583920E+00 7.61918680E-02 0.00000000E+00 5.22583920E+00 7.61918680E-02 0.00000000E+00 5.22583920E+00 7.61918680E-02 0.00000000E+00 5.22583920E+00 7.61918680E-02 0.00000000E+00 5.22583920E+00 7.61918680E-02 0.00000000E+00 5.22583920E+00 7.61918680E-02 0.00000000E+00 5.22583920E+00 7.61918680E-02 0.00000000E+00 5.22583920E+00 4.65899506E+00 0.00000000E+00 2.54570866E+00 4.65899506E+00 0.00000000E+00 2.54570866E+00 4.65899506E+00 0.00000000E+00 2.54570866E+00 4.65899506E+00 0.00000000E+00 2.54570866E+00 4.65899506E+00 0.00000000E+00 2.54570866E+00 4.65899506E+00 0.00000000E+00 2.54570866E+00 4.65899506E+00 0.00000000E+00 2.54570866E+00 4.65899506E+00 0.00000000E+00 2.54570866E+00 4.44307306E+00 0.00000000E+00 -2.75867134E+00 4.44307306E+00 0.00000000E+00 -2.75867134E+00 4.44307306E+00 0.00000000E+00 -2.75867134E+00 4.44307306E+00 0.00000000E+00 -2.75867134E+00 4.44307306E+00 0.00000000E+00 -2.75867134E+00 4.44307306E+00 0.00000000E+00 -2.75867134E+00 4.44307306E+00 0.00000000E+00 -2.75867134E+00 4.44307306E+00 0.00000000E+00 -2.75867134E+00 Alpha Orbital Energies R N= 88 -3.45001896E+00 -3.44993488E+00 -3.44094148E+00 -3.44027643E+00 -2.09024885E+00 -2.08889780E+00 -2.08849267E+00 -2.08826541E+00 -2.08724396E+00 -2.08710457E+00 -2.08090780E+00 -2.08014817E+00 -2.07859515E+00 -2.07776644E+00 -2.07754563E+00 -2.07679058E+00 -2.09961868E-01 -2.06567163E-01 -1.99813611E-01 -1.92740059E-01 -1.91865384E-01 -1.89189769E-01 -1.88658117E-01 -1.82129203E-01 -1.69472691E-01 -1.66225554E-01 -1.65572420E-01 -1.64852120E-01 -1.63534830E-01 -1.62611878E-01 -1.57367137E-01 -1.56575368E-01 -1.56036956E-01 -1.52386800E-01 -1.52238010E-01 -1.45631337E-01 -1.03778862E-01 -2.88203767E-02 -5.37806975E-03 5.78907213E-02 8.43818989E-02 9.52966765E-02 9.97175522E-02 1.07741777E-01 1.18285952E-01 1.29449125E-01 1.30493313E-01 1.41882151E-01 1.45966922E-01 1.50426382E-01 1.51110084E-01 1.74188757E-01 1.95476603E-01 1.98661154E-01 2.10685019E-01 2.13430265E-01 2.32992554E-01 2.49232428E-01 2.64476016E-01 2.78576761E-01 3.47865551E-01 3.51428323E-01 3.54374680E-01 3.65810359E-01 5.95253807E-01 6.41853181E-01 6.53216877E-01 6.55139926E-01 7.02285338E-01 7.13243852E-01 7.43105680E-01 7.50046004E-01 7.93297724E-01 8.50847677E-01 8.73290410E-01 8.74299435E-01 9.01625289E-01 9.11662759E-01 9.45899786E-01 9.51670882E-01 9.57813746E-01 9.79022420E-01 1.00987362E+00 1.12944729E+00 1.14312042E+00 1.42038953E+00 1.53846783E+00 1.68989848E+00 Beta Orbital Energies R N= 88 -3.44938412E+00 -3.44930851E+00 -3.44063885E+00 -3.43997600E+00 -2.09000698E+00 -2.08842261E+00 -2.08802224E+00 -2.08795091E+00 -2.08681265E+00 -2.08666197E+00 -2.08049096E+00 -2.07973163E+00 -2.07802348E+00 -2.07751664E+00 -2.07718750E+00 -2.07677142E+00 -2.08784480E-01 -2.04378427E-01 -1.98077896E-01 -1.91345343E-01 -1.90272304E-01 -1.87932372E-01 -1.87083300E-01 -1.80729122E-01 -1.68207235E-01 -1.65330679E-01 -1.64221160E-01 -1.63976414E-01 -1.62414204E-01 -1.62080797E-01 -1.56785229E-01 -1.56044450E-01 -1.55510780E-01 -1.51956688E-01 -1.50122950E-01 -1.43408046E-01 -9.53804750E-02 -2.63983800E-02 3.92392343E-02 5.98237947E-02 8.64086892E-02 1.03788673E-01 1.06325155E-01 1.09437290E-01 1.17601247E-01 1.34668636E-01 1.35275653E-01 1.43746129E-01 1.47471709E-01 1.51655390E-01 1.53187822E-01 1.76623854E-01 1.99797956E-01 2.03373740E-01 2.12905938E-01 2.15634324E-01 2.32402599E-01 2.57885695E-01 2.68549297E-01 2.81401165E-01 3.52395877E-01 3.55786258E-01 3.60160462E-01 3.72499257E-01 5.97756292E-01 6.47323185E-01 6.57316556E-01 6.57443922E-01 7.04198325E-01 7.18261933E-01 7.46832469E-01 7.52073466E-01 7.95964974E-01 8.56047339E-01 8.73968066E-01 8.75264564E-01 9.06034038E-01 9.18439545E-01 9.50977930E-01 9.53307822E-01 9.62277640E-01 9.80639798E-01 1.01390001E+00 1.13762408E+00 1.14678828E+00 1.42494982E+00 1.54133442E+00 1.69127626E+00 Alpha MO coefficients R N= 7744 7.03388426E-01 -7.00932077E-03 3.46134847E-03 -1.70413318E-03 -1.81584346E-14 -9.32264009E-04 -1.80340724E-03 -1.73319127E-17 -9.87058751E-04 1.06539883E-03 -2.13783220E-16 5.83460234E-04 2.97995356E-04 -1.54894749E-04 2.33593669E-16 3.17281869E-04 -8.25549000E-16 -9.55754377E-04 1.10843162E-03 -1.48082260E-16 -2.34273409E-04 -7.51577127E-18 1.11436467E-02 2.56569845E-03 -3.80224379E-04 -7.82421864E-06 -2.71614451E-16 1.41806990E-05 2.19891630E-03 1.66200988E-16 -4.02162380E-03 -5.93103436E-04 -1.08815850E-15 1.08542676E-03 -2.57093967E-04 1.72808034E-04 -3.14481527E-17 -2.23866337E-04 -7.84511593E-17 1.42506256E-03 -1.02440481E-03 4.62849359E-17 1.15489473E-03 1.04638613E-16 7.03395291E-01 -7.00940988E-03 3.46136831E-03 1.70414974E-03 -2.31715663E-14 9.32273269E-04 1.80347017E-03 -1.00035767E-15 9.87093266E-04 -1.06541044E-03 2.99182022E-15 -5.83466616E-04 2.97998142E-04 -1.54892352E-04 7.49159182E-16 3.17289763E-04 5.10559436E-16 -9.55761744E-04 1.10842194E-03 -3.27899913E-17 -2.34298488E-04 -4.42251685E-17 1.11436396E-02 2.56569855E-03 -3.80224426E-04 7.82513406E-06 -3.05415287E-16 -1.41801571E-05 -2.19889136E-03 6.66336406E-16 4.02163753E-03 5.93096801E-04 -2.05309864E-15 -1.08543041E-03 -2.57097305E-04 1.72805574E-04 6.97618883E-17 -2.23864419E-04 4.63605736E-17 1.42508154E-03 -1.02439079E-03 -1.43005520E-16 1.15488380E-03 -5.86728545E-17 7.02895045E-01 -9.12132868E-03 2.03098627E-03 -1.70218628E-03 -1.81086851E-14 -9.31218098E-04 -6.44670402E-03 -4.75644078E-16 -3.52615139E-03 1.19028828E-03 1.50073758E-16 6.50741354E-04 2.85121479E-04 2.45386018E-04 1.29218641E-16 8.08130442E-04 -8.03674515E-16 -7.51648363E-04 -9.88538815E-04 -4.75263710E-19 -2.56887340E-03 1.99067726E-17 3.91480135E-06 3.39070405E-07 7.13349708E-07 -9.54171758E-05 1.23116163E-17 -5.22714196E-05 -2.55707269E-03 -1.79157353E-16 -1.39910593E-03 6.79993332E-04 1.19355355E-15 3.71808229E-04 -3.41082616E-04 -2.52385334E-04 6.20439322E-17 1.96944947E-04 2.19084792E-17 1.94150986E-03 1.43637795E-03 -1.09086574E-16 -1.12083160E-03 -1.73274737E-17 -7.02888176E-01 9.12126024E-03 -2.03095247E-03 -1.70216957E-03 2.31769599E-14 -9.31209157E-04 -6.44668641E-03 9.28064163E-16 -3.52614176E-03 1.19027788E-03 -2.68098257E-15 6.50735666E-04 -2.85118567E-04 -2.45387527E-04 -8.06633324E-16 -8.08127346E-04 -5.49948491E-16 7.51639034E-04 9.88549639E-04 1.14168657E-16 2.56887111E-03 1.13665196E-16 -3.80515376E-06 -3.14024854E-07 -7.17058106E-07 -9.54170973E-05 2.58647784E-17 -5.22715612E-05 -2.55709416E-03 -3.32153411E-16 -1.39906666E-03 6.79999128E-04 1.50925576E-15 3.71797635E-04 3.41080106E-04 2.52387021E-04 -2.27812326E-17 -1.96947132E-04 -8.04002266E-17 -1.94149595E-03 -1.43638795E-03 7.11590222E-17 1.12084288E-03 1.18157707E-16 -4.60476682E-06 9.37826385E-07 5.78700227E-07 -6.31083957E-05 -4.91660080E-17 1.15570798E-04 -3.39042824E-03 5.75390167E-16 6.20101239E-03 1.31613109E-03 -1.40737756E-15 -2.40609133E-03 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5.56940962E-15 2.57643302E-15 -1.29802141E-13 -3.62327220E-16 8.23777159E-06 -8.60053332E-16 -2.30384392E-14 -4.06926360E-06 8.23081726E-15 3.44440350E-13 -1.47142924E-05 2.02162540E-13 -1.38206849E-15 -2.05658415E-15 -6.36516184E-05 8.06832702E-16 -3.02093258E-05 3.33856313E-15 4.13003210E-15 -1.90353918E-05 -4.67730022E-15 -1.03849029E-05 2.49128260E-15 2.87035200E-15 -6.01811078E-14 7.84954695E-16 -3.41109059E-05 -2.33907284E-15 -3.13983663E-14 1.84322268E-04 7.33312284E-14 3.31256380E-13 9.62627012E-05 -4.89312623E-13 1.64061916E-15 8.11577691E-16 -1.02642827E-04 -2.07362753E-15 -5.18988760E-05 -7.39997522E-15 -4.70922960E-15 -7.90329913E-05 1.42349918E-15 -7.30496862E-07 -3.82645193E-15 -6.97884731E-16 8.60528500E-14 -1.36755680E-15 1.44189544E-05 -7.37234159E-16 3.92546929E-14 5.54951596E-05 3.36026481E-14 -4.04624468E-13 -5.18955704E-05 -2.28389145E-13 -2.60240636E-15 -7.18150107E-16 1.65083402E-04 1.61253771E-15 -1.87561949E-05 9.06949269E-15 6.04815374E-15 1.21174022E-04 -3.10240269E-15 1.83611977E-05 Cartesian Gradient R N= 12 8.79857605E-07 2.46096805E-13 -1.61538689E-06 -2.68508464E-06 -7.44401423E-13 -1.47439049E-06 -8.80466203E-07 9.23299431E-13 1.61637776E-06 2.68569323E-06 -4.24994812E-13 1.47339953E-06 Cartesian Force Constants R N= 78 3.26810204E-02 -1.55869179E-11 9.87626457E-04 -1.06087088E-03 -2.55098634E-11 3.39049493E-02 1.00847089E-03 3.65370138E-11 2.39412063E-03 1.80401942E-02 1.11909500E-10 -1.05790507E-03 1.86056244E-10 2.50956968E-10 1.00599265E-03 -1.71775146E-03 -2.14471481E-12 -2.56001348E-02 -1.35875696E-02 -2.62822825E-10 3.50968161E-02 -1.57980011E-02 -6.93340046E-12 -1.13152129E-02 -1.78914896E-02 -3.01790208E-10 1.40938354E-02 3.26810196E-02 2.57182392E-11 1.08573666E-03 5.62572844E-11 -3.19012974E-12 -1.01544604E-03 -2.54432770E-11 -4.29584352E-11 9.87646073E-04 -1.13152143E-02 5.76231168E-11 -1.51400624E-03 9.98196228E-03 5.08845170E-10 -6.79080797E-03 -1.06086950E-03 9.70823741E-12 3.39049475E-02 -1.78914902E-02 -5.77533568E-12 9.98196315E-03 -1.15717541E-03 -5.87489198E-11 1.21148569E-03 1.00847117E-03 1.23858904E-11 2.39412153E-03 1.80401944E-02 -1.27208832E-10 -1.01545802E-03 -2.16087714E-10 -2.83312983E-10 1.06735844E-03 2.91443408E-10 3.51104368E-10 -1.05793668E-03 -5.74255609E-10 5.68931820E-11 1.00603624E-03 1.40938367E-02 -3.07224378E-11 -6.79080829E-03 1.21148667E-03 -4.33034786E-10 -2.70587335E-03 -1.71775297E-03 -4.03975132E-11 -2.56001333E-02 -1.35875704E-02 5.00485279E-10 3.50968149E-02 Dipole Moment R N= 3 -2.25963239E+00 1.28126079E-11 -1.23358410E+00 Dipole Derivatives R N= 36 -2.17823131E-01 7.09674792E-08 -2.41716768E-01 1.00581007E-08 -2.46142040E-01 6.06428037E-09 -2.41721401E-01 5.27654284E-08 9.18830758E-02 -2.82177688E-01 8.09681168E-08 2.41717487E-01 -3.32023198E-09 -2.53857931E-01 -4.44113141E-08 2.41721546E-01 -7.80230212E-08 -5.91883185E-01 -2.17822213E-01 -1.07876046E-07 -2.41717650E-01 -1.49956505E-08 -2.46142028E-01 -9.83153968E-09 -2.41722033E-01 1.89975430E-07 9.18836144E-02 -2.82176985E-01 -4.26122035E-08 2.41716914E-01 7.82927050E-09 -2.53857992E-01 4.70513845E-08 2.41721880E-01 -1.63490343E-07 -5.91883507E-01 Polarizability R N= 6 3.66156180E+02 2.01964802E-06 1.75526647E+02 -5.13327618E+01 9.54365318E-06 4.31947110E+02 Polarizability Derivatives R N= 72 2.82095149E+00 -1.37603415E-10 -2.44782326E+00 2.80142979E+00 -3.25516894E-09 1.88695817E+00 2.57511769E-09 -2.61938619E+01 -9.78591923E-10 -1.35906269E-08 -1.42926043E+01 -1.32236447E-08 3.97436198E+00 -6.20962517E-09 -1.33971534E+00 1.72624165E-02 3.65325034E-09 -1.16446660E+00 -1.71976706E+01 -1.01977442E-09 -3.49397883E+00 1.57099614E+01 3.35993529E-09 -6.28717796E+00 5.06265540E-09 -1.50321679E+01 -7.17313889E-10 2.81168646E-09 2.75208631E+01 4.00859119E-09 5.44667437E+00 7.49572361E-09 6.38694766E+00 -1.19452593E+01 -3.16216064E-09 3.77715656E+01 -2.82095146E+00 -1.45340485E-09 2.44782089E+00 -2.80142984E+00 -3.47163326E-09 -1.88695816E+00 -7.38992490E-09 2.61938658E+01 2.27044137E-09 5.64400477E-09 1.42925971E+01 7.91781021E-10 -3.97436197E+00 1.16194848E-09 1.33971964E+00 -1.72624117E-02 -2.49403363E-09 1.16446662E+00 1.71976705E+01 2.23986396E-09 3.49398119E+00 -1.57099614E+01 3.41416060E-09 6.28717795E+00 -2.43836392E-10 1.50321639E+01 -5.94907276E-10 4.88625270E-09 -2.75208559E+01 8.37438600E-09 -5.44667439E+00 -2.44624030E-09 -6.38695196E+00 1.19452593E+01 1.92572746E-09 -3.77715656E+01 HyperPolarizability R N= 10 5.34604104E-06 1.74924103E-06 -3.92887491E-05 2.30519934E-07 7.85119383E-08 -5.54914498E-06 6.96863270E-05 -1.23884686E-05 -1.88097139E-06 1.94278956E-05 Anisotropic Hyperfine tensors R N= 24 -1.00026138E-02 -1.46392033E-14 5.31268518E-03 -1.06151101E-02 3.84591752E-14 4.68992867E-03 9.04848766E-03 -7.96333422E-15 -1.16690020E-02 4.24614199E-03 -1.00163743E-15 2.62051432E-03 -9.79255949E-03 -1.74467341E-14 4.71748888E-03 -1.22619411E-02 1.31795716E-14 5.07507061E-03 8.76173272E-03 -8.53114417E-15 -1.21548309E-02 5.14912494E-03 6.66410039E-15 3.39309818E-03 Isotropic Hyperfine splittings R N= 4 3.28161397E-05 -2.04680570E-06 3.55519819E-05 -2.26737959E-06 QEq coupling tensors R N= 24 4.81456977E-03 2.42756093E-14 -2.94083929E-02 -1.12995861E-02 -2.68134335E-14 2.45938231E-02 9.96203999E-03 -8.14022198E-15 -1.76437220E-02 1.73875821E-03 3.43086091E-15 7.68168205E-03 8.18242996E-03 6.20995820E-15 -2.92748025E-02 -1.39934408E-02 -5.50113880E-14 2.10923726E-02 1.04125704E-02 9.17293734E-15 -1.68029122E-02 3.59727959E-03 -3.24889727E-14 6.39034176E-03 Mulliken Charges R N= 4 -2.45625872E-01 -2.34410533E-01 -2.17387190E-01 -3.02576405E-01 Optimization MaxStp I 2 Optimization Job offset I 0 Optimization Num results per geometry I 2 Optimization Num geometry variables I 12 Opt point 1 Results for each geome R N= 2 -5.83234178E+02 0.00000000E+00 Opt point 1 Geometries R N= 12 -1.39730130E-01 0.00000000E+00 -7.85407976E-02 7.61918680E-02 0.00000000E+00 5.22583920E+00 4.65899506E+00 0.00000000E+00 2.54570866E+00 4.44307306E+00 0.00000000E+00 -2.75867134E+00 Opt point 1 Gradient at each geome R N= 12 8.79857605E-07 2.46096805E-13 -1.61538689E-06 -2.68508464E-06 -7.44401423E-13 -1.47439049E-06 -8.80466203E-07 9.23299431E-13 1.61637776E-06 2.68569323E-06 -4.24994812E-13 1.47339953E-06 Optimization Number of geometries I N= 1 1