Ag5 -1 Freq RB3LYP LANL2DZ Number of atoms I 5 Charge I -1 Multiplicity I 1 Number of electrons I 96 Number of alpha electrons I 48 Number of beta electrons I 48 Number of basis functions I 110 Number of independant functions I 110 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 28 24 1002 0 0 100 6 18 -501 Num ILSW I 100 ILSW I N= 100 0 0 0 1 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 40 Highest angular momentum I 2 Largest degree of contraction I 4 Number of primitive shells I 90 Pure/Cartesian d shells I 0 Pure/Cartesian f shells I 0 Virial Ratio R 3.701291490152079E+00 SCF Energy R -7.290582657030805E+02 Total Energy R -7.290582657030805E+02 RMS Force R 1.039151503395327E-07 RMS Density R 3.496757153974403E-09 Atomic numbers I N= 5 47 47 47 47 47 Nuclear charges R N= 5 1.90000000E+01 1.90000000E+01 1.90000000E+01 1.90000000E+01 1.90000000E+01 Current cartesian coordinates R N= 15 2.27580424E-04 8.55586966E-08 7.40234129E-04 -1.67738549E-03 4.86933431E-07 5.16117436E+00 4.87713351E+00 -1.16237988E-06 2.60716222E+00 4.90601762E+00 1.41988063E-06 -2.55069696E+00 5.70307046E-02 -5.08721042E-08 -5.15950394E+00 Atom Types C N= 5 Int Atom Types I N= 5 0 0 0 0 0 Force Field I 0 MM charges R N= 5 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 Integer atomic weights I N= 5 107 107 107 107 107 Real atomic weights R N= 5 1.06905090E+02 1.06905090E+02 1.06905090E+02 1.06905090E+02 1.06905090E+02 Atom residue info I N= 5 0 0 0 0 0 Atom fragment info I N= 5 0 0 0 0 0 Atom residue num I N= 5 0 0 0 0 0 Nuclear spins I N= 5 1 1 1 1 1 Nuclear ZEff R N= 5 -2.45340000E+02 -2.45340000E+02 -2.45340000E+02 -2.45340000E+02 -2.45340000E+02 Nuclear QMom R N= 5 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 Nuclear GFac R N= 5 -1.13570000E-01 -1.13570000E-01 -1.13570000E-01 -1.13570000E-01 -1.13570000E-01 MicOpt I N= 5 -1 -1 -1 -1 -1 Constraint Structure R N= 15 2.27580424E-04 8.55586966E-08 7.40234129E-04 -1.67738549E-03 4.86933431E-07 5.16117436E+00 4.87713351E+00 -1.16237988E-06 2.60716222E+00 4.90601762E+00 1.41988063E-06 -2.55069696E+00 5.70307046E-02 -5.08721042E-08 -5.15950394E+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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Atom Layers I N= 5 0 0 0 0 0 Atom Modifiers I N= 5 0 0 0 0 0 Atom Modified Types C N= 5 Int Atom Modified Types I N= 5 0 0 0 0 0 Link Atoms I N= 5 0 0 0 0 0 Atom Modified MM Charges R N= 5 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 Link Distances R N= 20 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 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 MxBond I 4 NBond I N= 5 4 2 3 3 2 IBond I N= 20 2 3 4 5 1 3 0 0 1 2 4 0 1 3 5 0 1 4 0 0 RBond R N= 20 1.00000000E+00 1.00000000E+00 1.00000000E+00 1.00000000E+00 1.00000000E+00 1.00000000E+00 0.00000000E+00 0.00000000E+00 1.00000000E+00 1.00000000E+00 1.00000000E+00 0.00000000E+00 1.00000000E+00 1.00000000E+00 1.00000000E+00 0.00000000E+00 1.00000000E+00 1.00000000E+00 0.00000000E+00 0.00000000E+00 Shell types I N= 40 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 0 0 0 1 1 1 -2 -2 Number of primitives per shell I N= 40 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 3 4 1 3 2 1 3 1 Shell to atom map I N= 40 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 5 5 5 5 5 5 5 5 Primitive exponents R N= 90 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 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= 90 -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 -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= 120 2.27580424E-04 8.55586966E-08 7.40234129E-04 2.27580424E-04 8.55586966E-08 7.40234129E-04 2.27580424E-04 8.55586966E-08 7.40234129E-04 2.27580424E-04 8.55586966E-08 7.40234129E-04 2.27580424E-04 8.55586966E-08 7.40234129E-04 2.27580424E-04 8.55586966E-08 7.40234129E-04 2.27580424E-04 8.55586966E-08 7.40234129E-04 2.27580424E-04 8.55586966E-08 7.40234129E-04 -1.67738549E-03 4.86933431E-07 5.16117436E+00 -1.67738549E-03 4.86933431E-07 5.16117436E+00 -1.67738549E-03 4.86933431E-07 5.16117436E+00 -1.67738549E-03 4.86933431E-07 5.16117436E+00 -1.67738549E-03 4.86933431E-07 5.16117436E+00 -1.67738549E-03 4.86933431E-07 5.16117436E+00 -1.67738549E-03 4.86933431E-07 5.16117436E+00 -1.67738549E-03 4.86933431E-07 5.16117436E+00 4.87713351E+00 -1.16237988E-06 2.60716222E+00 4.87713351E+00 -1.16237988E-06 2.60716222E+00 4.87713351E+00 -1.16237988E-06 2.60716222E+00 4.87713351E+00 -1.16237988E-06 2.60716222E+00 4.87713351E+00 -1.16237988E-06 2.60716222E+00 4.87713351E+00 -1.16237988E-06 2.60716222E+00 4.87713351E+00 -1.16237988E-06 2.60716222E+00 4.87713351E+00 -1.16237988E-06 2.60716222E+00 4.90601762E+00 1.41988063E-06 -2.55069696E+00 4.90601762E+00 1.41988063E-06 -2.55069696E+00 4.90601762E+00 1.41988063E-06 -2.55069696E+00 4.90601762E+00 1.41988063E-06 -2.55069696E+00 4.90601762E+00 1.41988063E-06 -2.55069696E+00 4.90601762E+00 1.41988063E-06 -2.55069696E+00 4.90601762E+00 1.41988063E-06 -2.55069696E+00 4.90601762E+00 1.41988063E-06 -2.55069696E+00 5.70307046E-02 -5.08721042E-08 -5.15950394E+00 5.70307046E-02 -5.08721042E-08 -5.15950394E+00 5.70307046E-02 -5.08721042E-08 -5.15950394E+00 5.70307046E-02 -5.08721042E-08 -5.15950394E+00 5.70307046E-02 -5.08721042E-08 -5.15950394E+00 5.70307046E-02 -5.08721042E-08 -5.15950394E+00 5.70307046E-02 -5.08721042E-08 -5.15950394E+00 5.70307046E-02 -5.08721042E-08 -5.15950394E+00 Alpha Orbital Energies R N= 110 -3.46483113E+00 -3.45616284E+00 -3.45558264E+00 -3.45532833E+00 -3.45413162E+00 -2.10579023E+00 -2.10290164E+00 -2.10188739E+00 -2.09654404E+00 -2.09635882E+00 -2.09542171E+00 -2.09403402E+00 -2.09376392E+00 -2.09312047E+00 -2.09260938E+00 -2.09246742E+00 -2.09245445E+00 -2.09183256E+00 -2.09139639E+00 -2.09079316E+00 -2.29758632E-01 -2.20553102E-01 -2.15361425E-01 -2.08425467E-01 -2.06923209E-01 -2.03640381E-01 -2.01553121E-01 -1.94985065E-01 -1.93191478E-01 -1.85909633E-01 -1.85566809E-01 -1.84138457E-01 -1.83468256E-01 -1.77139505E-01 -1.75665134E-01 -1.74139294E-01 -1.73273292E-01 -1.71996199E-01 -1.71267675E-01 -1.68626403E-01 -1.67432934E-01 -1.64903247E-01 -1.60521622E-01 -1.56526459E-01 -1.55902913E-01 -1.17427338E-01 -6.04513224E-02 -2.45006667E-02 4.15692291E-02 5.07549944E-02 7.35365597E-02 8.81380713E-02 9.04423569E-02 1.03545390E-01 1.06947145E-01 1.17916570E-01 1.23522372E-01 1.34011160E-01 1.36490668E-01 1.39340572E-01 1.44577454E-01 1.47047057E-01 1.59468255E-01 1.63013079E-01 1.77403259E-01 1.94074156E-01 1.94087371E-01 2.06417347E-01 2.07379455E-01 2.14816100E-01 2.29566348E-01 2.38149266E-01 2.69580516E-01 2.72376041E-01 2.93210917E-01 3.21232040E-01 3.44724594E-01 3.54288203E-01 3.77329798E-01 4.47177177E-01 5.83407406E-01 6.21780959E-01 6.32615151E-01 6.46063585E-01 6.85523894E-01 6.90180749E-01 7.11136018E-01 7.22058278E-01 7.64300577E-01 7.69725272E-01 7.71333835E-01 8.33126387E-01 8.46169327E-01 8.75058424E-01 9.04744463E-01 9.11148089E-01 9.23027119E-01 9.23858436E-01 9.34662601E-01 9.67471392E-01 9.78403665E-01 1.01142406E+00 1.02557553E+00 1.09112398E+00 1.10681056E+00 1.17108547E+00 1.45353079E+00 1.58576721E+00 1.86635529E+00 2.01914181E+00 Alpha MO coefficients R N= 12100 9.93414374E-01 -1.29719431E-02 2.19803536E-03 -5.32826871E-04 -2.82843929E-10 -3.78475807E-06 -4.45554114E-03 -2.39570686E-10 -2.58929988E-05 1.32721611E-03 8.56694325E-11 6.98980020E-06 1.28215073E-03 -9.60506924E-06 -7.88590687E-11 5.53830614E-04 1.27034860E-11 -3.06343439E-03 2.12247095E-05 1.19938670E-10 -1.60556080E-03 -2.96371443E-11 1.30752119E-02 1.84440166E-03 1.15620088E-03 -6.16325251E-05 1.07314029E-11 -1.27615936E-04 9.90019489E-05 -7.77660365E-11 -4.24331890E-03 -6.41362945E-05 -5.14980149E-10 7.78856529E-04 -3.86171799E-04 -5.04118572E-06 -3.73716728E-11 -1.46944206E-05 -6.13112252E-12 2.76884944E-03 1.60424373E-05 3.07500489E-10 9.57564002E-06 4.47097635E-11 3.36033294E-03 1.00330352E-03 2.98474026E-04 5.91799097E-05 -3.91751980E-11 2.57680589E-05 -2.49467553E-03 2.54998450E-10 -1.44016352E-03 3.53746029E-04 7.40968526E-10 7.45505047E-05 2.93513919E-05 -2.48301074E-04 4.90608922E-11 -3.15612848E-04 1.26800024E-10 -1.95076276E-04 1.25317080E-03 -2.33380395E-10 1.40557768E-03 -5.65845682E-10 3.36374287E-03 1.00335148E-03 2.98702376E-04 5.94538941E-05 3.67233379E-11 -2.50986602E-05 -2.51101737E-03 -2.89152583E-10 1.41180572E-03 3.54003541E-04 -7.45707781E-10 -7.09504029E-05 3.41237123E-05 2.44099985E-04 5.50729936E-11 -3.18384254E-04 -1.35979300E-10 -2.19180393E-04 -1.23323424E-03 -2.57215743E-10 1.41967195E-03 6.11193245E-10 1.30771480E-02 1.84387642E-03 1.15407390E-03 -6.31189847E-05 -1.64304102E-11 1.26761169E-04 5.05885979E-05 -1.02252802E-10 4.24307157E-03 -5.54588444E-05 4.93178845E-10 -7.79637209E-04 -3.86027439E-04 1.25023769E-05 1.64421609E-12 -1.48029659E-05 5.75811486E-12 2.76770224E-03 -7.06037981E-05 4.54859725E-11 1.01083557E-05 -4.31259408E-11 -4.51202392E-03 1.22645974E-03 -5.33075572E-04 -2.45730054E-06 -2.54981472E-11 -2.41860188E-04 -2.35350107E-04 -8.82866861E-11 -1.08475325E-02 3.85666101E-04 5.48261499E-11 -2.12732654E-03 -1.78454164E-04 9.59310433E-05 1.80489234E-11 1.22507521E-05 -5.23775233E-11 1.20444431E-03 -4.74686491E-04 -9.59233260E-11 -8.09716114E-05 2.11933002E-10 -4.71496830E-01 6.31424731E-03 -2.85648454E-04 4.77672907E-04 -8.69093253E-10 -2.43463586E-03 1.40504334E-03 -1.01622339E-09 -4.76711077E-03 -1.27602770E-03 2.09657667E-10 3.31985708E-04 -5.37290257E-04 1.88667730E-04 -1.82596896E-10 -2.51699748E-04 2.40192143E-10 7.87513504E-04 -3.98928030E-04 3.81249361E-10 5.69302280E-04 -4.91995421E-10 -2.25772445E-02 1.21213560E-03 7.73895111E-05 -9.56106649E-05 1.32713125E-10 -1.85025868E-04 9.69094453E-04 9.18649044E-10 -3.60424475E-03 -1.76406111E-03 1.88310160E-11 2.08535823E-03 -1.46725383E-04 -2.66948038E-04 2.28403535E-10 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1.93246860E-10 -9.04345334E-11 1.23133801E-01 7.08720155E-04 -1.78042392E-03 -2.21211820E-03 8.29070924E-04 1.07070925E-10 -7.92680661E-04 -6.54873176E-03 -8.56872441E-10 -2.15557953E-03 -8.26745643E-03 5.32243932E-09 3.42662237E-02 2.15229867E-03 3.39389342E-03 1.45137830E-11 -2.59242701E-03 -6.35039708E-10 1.02903709E-03 1.77331879E-03 4.47135744E-10 -2.35110296E-04 -9.83897736E-11 1.16519138E-03 5.41560551E-03 -1.25682735E-02 5.17382929E-04 -1.16173576E-11 -1.48816530E-04 -1.00593302E-03 -6.79722236E-12 3.10061827E-04 9.76250640E-03 -6.32742780E-09 7.87547549E-03 -6.02264970E-04 -1.18228055E-03 9.96812732E-10 7.99286223E-04 -2.51786493E-09 1.55907746E-04 -5.21180479E-04 4.53441564E-10 3.01042381E-04 -1.23218047E-09 8.13754020E-04 -6.62378082E-03 7.65931588E-03 6.11637876E-04 4.40211745E-10 -1.25176467E-03 -3.54945654E-03 2.13439596E-09 -3.01126548E-03 6.48615056E-03 8.28412833E-09 -1.36556222E-02 1.38671437E-03 8.59159187E-04 -5.63303074E-09 5.90830253E-04 -4.25890400E-11 1.05973821E-03 3.55128171E-04 -2.55974770E-09 4.78428663E-04 -2.08702948E-11 3.37337233E-03 8.95297972E-03 2.65298182E-02 2.90394997E-03 2.48711134E-09 4.26233690E-03 -1.78613790E-02 -9.58213183E-09 -1.78625782E-02 -1.29093947E-02 -5.38405876E-09 -1.65029033E-02 -6.37468897E-04 -2.97115791E-03 -7.70002594E-10 1.32312420E-03 1.60874419E-09 2.35384936E-04 1.17987441E-03 2.47766944E-09 2.40693903E-03 3.49229925E-09 -1.54731637E-03 -4.87302271E-03 -2.29030703E-02 -9.71945923E-04 -9.02036458E-10 -7.88046095E-04 -9.34145883E-03 -2.09943348E-09 -4.91791204E-03 -2.11239877E-02 -5.18033712E-09 -2.49509598E-03 2.77289317E-03 -5.51293054E-03 -1.97394663E-09 4.22769090E-01 -4.52540576E-09 6.65064357E-04 -2.84613977E-03 -1.16503736E-09 1.19363281E-01 5.49106151E-10 -9.57077905E-10 -4.74497610E-09 2.00233888E-10 2.81900188E-05 -5.13542396E-10 -2.53286990E-09 -5.57783427E-04 -5.49426234E-09 -6.04404962E-09 -4.91688284E-03 4.87478755E-08 1.30880252E-09 1.90719313E-09 9.68615486E-04 -7.33631836E-10 -1.73238561E-03 1.69287887E-10 3.62273659E-10 6.59407616E-04 -4.87207623E-10 5.40459521E-04 1.03689229E-09 4.34081501E-09 3.03516442E-09 2.69811293E-10 -4.80071487E-05 -2.05672587E-10 1.94593726E-09 1.58346028E-04 -3.02968943E-09 1.81717350E-08 4.20085367E-03 1.15461478E-08 -4.79669813E-10 -3.45163309E-10 -5.61099183E-04 1.73447682E-09 1.49453132E-04 4.89161116E-10 -4.09207068E-10 -3.28407597E-04 1.21350229E-09 1.17284876E-04 1.54240213E-09 -4.07494701E-09 1.08650123E-08 2.92482385E-10 -1.46386535E-04 -1.41917165E-09 -2.00953573E-09 -3.72623239E-04 -3.91968985E-09 2.99343377E-08 -4.99792392E-03 -3.41139303E-08 5.14987624E-09 1.05078963E-09 2.88280110E-03 9.51081791E-10 4.99752991E-04 2.30175404E-09 1.22742512E-09 1.25888313E-03 3.80478442E-10 3.24409949E-04 2.44420028E-09 6.08059764E-09 7.78481524E-09 2.87512249E-09 -3.48167241E-03 2.40817112E-09 -1.25804325E-08 1.12510682E-02 -1.11731018E-08 -3.25622779E-08 9.93089898E-03 -3.56403631E-08 -1.52010484E-09 -1.66505021E-09 5.32431835E-04 2.48388876E-09 -6.66045191E-04 -5.40940053E-10 1.68691867E-09 -2.04285797E-03 3.59232477E-09 -3.28403287E-03 -7.18216045E-10 -2.48570989E-09 -1.57515710E-08 -4.50693732E-10 2.91373892E-04 -6.41710880E-10 -5.54593610E-09 -2.72003512E-04 -2.90790707E-09 -2.22418324E-08 -5.44963081E-03 5.87242452E-09 1.59220909E-09 -2.56635964E-09 -6.57181430E-04 -4.83205157E-09 4.29910865E-01 1.12957930E-10 -1.26689666E-09 -1.24249186E-04 -2.39096714E-09 1.23063537E-01 Cartesian Gradient R N= 15 -2.25322491E-07 -2.78971300E-10 3.29814226E-08 -1.48465702E-08 2.34184716E-09 -7.81300464E-08 -2.51385188E-08 -4.58985867E-09 3.95100628E-08 -3.16380344E-08 4.62328340E-09 8.14122174E-08 2.96945585E-07 -2.09630058E-09 -7.57738086E-08 Cartesian Force Constants R N= 120 1.67216002E-02 1.19510086E-08 2.08674802E-03 -3.25563319E-04 -6.85321348E-08 7.62376440E-02 1.75932335E-03 -3.72872988E-08 2.88531489E-03 1.07049619E-02 1.84248469E-08 -1.04506234E-03 -1.12634751E-07 -1.12899040E-07 8.98202563E-04 -2.60446293E-03 4.07091737E-08 -3.59098915E-02 -7.61156666E-03 9.33849046E-08 4.14214607E-02 -1.00242176E-02 5.62457991E-08 -9.95052855E-03 -1.05665051E-02 1.31563209E-07 8.36429378E-03 2.11917232E-02 3.41050458E-08 7.53942103E-07 2.19949721E-07 1.26537849E-07 -7.58393307E-04 -6.75976243E-08 -2.30789747E-07 1.62079981E-03 -6.52661175E-03 1.39403381E-09 -2.32892983E-03 4.85894577E-03 8.16636639E-11 -3.02749833E-03 2.26506776E-03 -4.89548001E-08 4.43679260E-02 -1.02180069E-02 -5.24773358E-08 9.84699788E-03 -2.90755108E-03 -6.15379775E-08 3.39602913E-04 2.28507064E-03 1.53824835E-07 7.72163641E-04 2.12629450E-02 8.90720721E-09 -3.91323280E-07 2.59387634E-07 8.54456669E-08 8.10846790E-04 -1.24880219E-07 -1.93712165E-07 -1.67402687E-03 -2.58485499E-08 1.85760890E-07 1.63718015E-03 6.42288451E-03 -5.03168573E-09 -2.12001419E-03 1.36472352E-03 -2.47969557E-08 -2.34596947E-03 -3.32534312E-04 5.86830519E-08 -3.66495316E-02 -2.45856016E-03 2.17641029E-08 4.43214133E-02 1.76130096E-03 2.15694451E-08 -2.45622092E-03 1.00977094E-03 2.44431164E-08 1.51213293E-03 -2.88607106E-03 -8.36720868E-08 -1.36956542E-03 -1.04224577E-02 -8.63968928E-08 -4.99651355E-03 1.05374569E-02 -7.33794616E-08 -1.04204833E-03 -2.98169988E-07 -6.17974827E-08 9.44062593E-05 5.83853488E-08 2.36687934E-07 8.10866422E-04 7.33211363E-08 -2.25572170E-07 -7.73608724E-04 -5.06115509E-08 1.24054805E-07 9.10384418E-04 3.03375351E-03 3.14595177E-08 -3.58788085E-02 -1.49741751E-03 4.39711410E-08 -1.38101498E-04 -3.46298721E-04 -1.62081070E-07 -2.36196623E-03 -8.50020428E-03 -1.30427375E-07 -3.20589802E-03 7.31016698E-03 2.17075275E-07 4.15847742E-02 Dipole Moment R N= 3 -1.86443327E+00 -1.56496790E-07 -1.13293308E-02 Dipole Derivatives R N= 45 1.72983562E-01 1.68418784E-05 -6.70019586E-03 1.54358249E-05 -2.08741616E-01 5.68218052E-05 -4.11179502E-03 -8.98759829E-05 5.46343816E-01 -3.54686663E-01 -2.50108302E-05 1.74463933E-01 2.27589599E-05 -2.06305584E-01 8.94912981E-05 1.55994402E-01 6.03800449E-05 -5.24039877E-01 -2.28432161E-01 4.78737073E-05 -4.54459475E-01 -4.96963372E-05 -1.89435124E-01 -2.00822109E-04 -2.64668089E-01 2.37940900E-06 -2.46946709E-01 -2.38961182E-01 -6.74232958E-05 4.57040169E-01 -6.17819794E-05 -1.89364096E-01 -2.25452209E-04 2.65536771E-01 -5.13365047E-06 -2.46666637E-01 -3.50903541E-01 2.77213574E-05 -1.70344411E-01 7.32815850E-05 -2.06153571E-01 2.79960979E-04 -1.52751309E-01 3.22477712E-05 -5.28690635E-01 Polarizability R N= 6 3.85206647E+02 -2.15587663E-02 1.86263411E+02 -2.58401052E+00 -7.37758472E-02 5.10089529E+02 Polarizability Derivatives R N= 90 1.32483585E+01 -1.02275836E-06 1.85051461E-01 -1.44457850E-01 2.78507252E-06 2.31195326E+01 6.81672426E-06 -1.00500087E+01 -1.23852673E-06 -4.66088805E-07 -5.71132308E-02 1.77466205E-06 -1.05097539E-01 -7.15055588E-06 2.37566899E-04 1.58741087E+01 -5.75681257E-07 3.07325451E-01 -6.29240174E+00 3.13404855E-06 -1.62910248E+00 9.62604854E+00 2.26862401E-06 -2.02130026E+00 1.32579271E-05 -1.56524713E+01 9.01380837E-06 -7.41382577E-06 2.52755696E+01 -1.11601943E-05 -9.09266732E-01 3.19144497E-06 7.13098068E+00 -1.50644970E+01 5.73030436E-06 5.63028209E+01 -8.07921409E-01 -7.38057487E-06 1.46003046E+00 1.91580385E+01 -3.67425115E-06 -9.71324202E+00 -2.93748184E-05 2.04588060E+01 -2.28970114E-05 7.70375181E-06 1.35595634E+01 -4.40719268E-06 2.78479616E+01 -2.24455784E-07 6.33236266E+00 6.94634789E+00 -7.23479784E-06 3.14408267E+01 -5.99245092E-02 7.85706158E-06 1.53181113E+00 -1.91291959E+01 -3.25553090E-06 -9.78605370E+00 -6.84445384E-06 2.06090283E+01 2.09205910E-05 8.65570674E-06 -1.33255604E+01 -4.26060906E-06 -2.80083346E+01 9.18788693E-07 -6.31579545E+00 6.76604407E+00 6.89025766E-06 -3.13954613E+01 -6.08811081E+00 -2.58770132E-06 -1.54779057E+00 -9.51043326E+00 1.87591777E-06 -1.59893661E+00 1.61448358E-05 -1.53653541E+01 -5.79884360E-06 -8.48011516E-06 -2.54524593E+01 1.80523030E-05 1.17473721E+00 3.26467139E-06 -7.14778545E+00 -1.45220037E+01 -4.81013617E-06 -5.66555118E+01 HyperPolarizability R N= 10 2.71072160E+03 -1.55922264E-04 -2.57445154E+02 7.28409898E-05 5.87240969E+01 -3.21531909E-03 -1.48581530E+00 -3.87024391E+03 1.71481698E-04 -6.87144532E+01 QEq coupling tensors R N= 30 -1.61375771E-02 3.95467861E-10 -3.77672497E-02 1.36228615E-03 3.70464223E-09 5.39048268E-02 3.18324888E-03 -4.44695188E-09 -1.41421330E-02 -1.73770772E-03 8.60906572E-09 1.09588841E-02 9.14865826E-03 -5.31617875E-09 -2.77387782E-02 -2.35922819E-02 -2.26218073E-08 1.85901199E-02 5.70015185E-03 4.67580297E-09 -2.52062370E-02 2.33328520E-02 -2.19445841E-08 1.95060851E-02 5.68992787E-03 4.57113917E-09 -1.38171882E-02 1.21412661E-03 6.40004769E-09 8.12726033E-03 Mulliken Charges R N= 5 -1.84783635E-01 -1.95178102E-01 -1.69295179E-01 -2.11179299E-01 -2.39563784E-01 Optimization MaxStp I 2 Optimization Job offset I 0 Optimization Num results per geometry I 2 Optimization Num geometry variables I 15 Opt point 1 Results for each geome R N= 2 -7.29058266E+02 0.00000000E+00 Opt point 1 Geometries R N= 15 2.27580424E-04 8.55586966E-08 7.40234129E-04 -1.67738549E-03 4.86933431E-07 5.16117436E+00 4.87713351E+00 -1.16237988E-06 2.60716222E+00 4.90601762E+00 1.41988063E-06 -2.55069696E+00 5.70307046E-02 -5.08721042E-08 -5.15950394E+00 Opt point 1 Gradient at each geome R N= 15 -2.25322491E-07 -2.78971300E-10 3.29814226E-08 -1.48465702E-08 2.34184716E-09 -7.81300464E-08 -2.51385188E-08 -4.58985867E-09 3.95100628E-08 -3.16380344E-08 4.62328340E-09 8.14122174E-08 2.96945585E-07 -2.09630058E-09 -7.57738086E-08 Optimization Number of geometries I N= 1 1