Ag1CORamm1 Freq RB3LYP LANL2DZ Number of atoms I 3 Charge I -1 Multiplicity I 1 Number of electrons I 34 Number of alpha electrons I 17 Number of beta electrons I 17 Number of basis functions I 40 Number of independant functions I 40 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 19 16 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 0 0 -1 0 0 0 0 800000 0 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 18 Highest angular momentum I 2 Largest degree of contraction I 7 Number of primitive shells I 48 Pure/Cartesian d shells I 0 Pure/Cartesian f shells I 0 Virial Ratio R 2.555373942677623E+00 SCF Energy R -2.590902874395283E+02 Total Energy R -2.590902874395283E+02 RMS Force R 7.200164724316391E-05 RMS Density R 1.985970333662465E-09 Atomic numbers I N= 3 47 6 8 Nuclear charges R N= 3 1.90000000E+01 6.00000000E+00 8.00000000E+00 Current cartesian coordinates R N= 9 9.67667715E-02 1.20862106E-34 -6.43912160E-01 -3.01611414E-01 -4.25638620E-35 4.29642398E+00 1.63613716E+00 -7.82982440E-35 5.46972204E+00 Atom Types C N= 3 Int Atom Types I N= 3 0 0 0 Force Field I 0 MM charges R N= 3 0.00000000E+00 0.00000000E+00 0.00000000E+00 Integer atomic weights I N= 3 107 12 16 Real atomic weights R N= 3 1.06905090E+02 1.20000000E+01 1.59949146E+01 Atom residue info I N= 3 0 0 0 Atom fragment info I N= 3 0 0 0 Atom residue num I N= 3 0 0 0 Nuclear spins I N= 3 1 0 0 Nuclear ZEff R N= 3 -2.45340000E+02 -3.60000000E+00 -5.60000000E+00 Nuclear QMom R N= 3 0.00000000E+00 0.00000000E+00 0.00000000E+00 Nuclear GFac R N= 3 -1.13570000E-01 0.00000000E+00 0.00000000E+00 MicOpt I N= 3 -1 -1 -1 Constraint Structure R N= 9 9.67667715E-02 1.20862106E-34 -6.43912160E-01 -3.01611414E-01 -4.25638620E-35 4.29642398E+00 1.63613716E+00 -7.82982440E-35 5.46972204E+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= 3 0 0 0 Atom Modifiers I N= 3 0 0 0 Atom Modified Types C N= 3 Int Atom Modified Types I N= 3 0 0 0 Link Atoms I N= 3 0 0 0 Atom Modified MM Charges R N= 3 0.00000000E+00 0.00000000E+00 0.00000000E+00 Link Distances 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 MxBond I 2 NBond I N= 3 1 2 1 IBond I N= 6 2 0 1 3 2 0 RBond R N= 6 2.00000000E+00 0.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 0.00000000E+00 Shell types I N= 18 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= 18 3 4 1 3 2 1 3 1 7 2 1 4 1 7 2 1 4 1 Shell to atom map I N= 18 1 1 1 1 1 1 1 1 2 2 2 2 2 3 3 3 3 3 Primitive exponents R N= 48 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 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= 48 -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 1.21999969E-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= 54 9.67667715E-02 1.20862106E-34 -6.43912160E-01 9.67667715E-02 1.20862106E-34 -6.43912160E-01 9.67667715E-02 1.20862106E-34 -6.43912160E-01 9.67667715E-02 1.20862106E-34 -6.43912160E-01 9.67667715E-02 1.20862106E-34 -6.43912160E-01 9.67667715E-02 1.20862106E-34 -6.43912160E-01 9.67667715E-02 1.20862106E-34 -6.43912160E-01 9.67667715E-02 1.20862106E-34 -6.43912160E-01 -3.01611414E-01 -4.25638620E-35 4.29642398E+00 -3.01611414E-01 -4.25638620E-35 4.29642398E+00 -3.01611414E-01 -4.25638620E-35 4.29642398E+00 -3.01611414E-01 -4.25638620E-35 4.29642398E+00 -3.01611414E-01 -4.25638620E-35 4.29642398E+00 1.63613716E+00 -7.82982440E-35 5.46972204E+00 1.63613716E+00 -7.82982440E-35 5.46972204E+00 1.63613716E+00 -7.82982440E-35 5.46972204E+00 1.63613716E+00 -7.82982440E-35 5.46972204E+00 1.63613716E+00 -7.82982440E-35 5.46972204E+00 Alpha Orbital Energies R N= 40 -1.90526745E+01 -1.01443421E+01 -3.37516873E+00 -2.01462334E+00 -2.01227502E+00 -2.01180101E+00 -9.62940762E-01 -3.79243178E-01 -2.70069418E-01 -2.69146848E-01 -1.97994527E-01 -1.02371292E-01 -1.02000117E-01 -9.98289315E-02 -9.98146044E-02 -9.60722224E-02 2.60414358E-02 1.14743761E-01 1.22040859E-01 1.32667661E-01 1.44139203E-01 1.54343318E-01 2.62191907E-01 2.65971728E-01 3.06417356E-01 3.56799787E-01 4.33385975E-01 4.84316596E-01 6.65540404E-01 7.33660693E-01 7.71917248E-01 7.81463156E-01 7.89230720E-01 8.07959739E-01 8.36154581E-01 8.69645178E-01 8.83177909E-01 9.70605757E-01 1.13301152E+00 1.81466380E+00 Alpha MO coefficients R N= 1600 2.45459712E-05 5.58153915E-06 -3.77593352E-05 -3.29360492E-06 -1.36426738E-18 -3.60193827E-06 -9.73339956E-05 2.75310225E-17 -2.90015701E-05 -9.72152282E-05 2.80804676E-18 -7.54169138E-05 1.85947707E-05 2.23036681E-05 -6.18755338E-17 -9.61282970E-06 2.89010867E-17 -1.10721347E-04 -1.13216806E-04 1.13782709E-16 3.05121328E-05 -4.86618708E-17 8.37318096E-05 -9.60139560E-05 2.30957017E-03 -1.25002247E-05 1.52491904E-17 -1.72608506E-06 1.14311153E-03 -1.55648367E-16 6.14483870E-04 9.98818335E-01 6.60741111E-03 -4.67723212E-03 -1.41997030E-03 -1.45676026E-16 -8.30060760E-04 1.39049004E-03 2.45805654E-16 8.18433136E-04 2.03281678E-04 4.95250203E-04 6.60823309E-04 -4.11288903E-06 7.91722896E-19 1.05663827E-05 4.96418924E-05 -1.52273226E-17 1.29074357E-03 -5.72055075E-08 -1.41773982E-18 -2.42671495E-06 -8.94246269E-05 -3.71283105E-06 3.14339302E-17 -1.61814484E-06 -1.67497112E-17 6.19448070E-04 1.29785030E-05 -5.83064930E-17 2.18886687E-06 2.80630100E-17 9.97751507E-01 1.33623394E-02 -4.12732336E-03 3.51016708E-03 -8.73605573E-18 1.58990244E-03 -1.08996670E-03 8.52652181E-17 9.48592687E-04 -1.77135762E-04 3.21314531E-04 -1.95341406E-03 3.54243570E-04 8.38923166E-17 2.79869952E-04 2.00293479E-03 -1.38699939E-16 8.32266422E-04 9.96358751E-01 -7.82761410E-03 4.31324744E-03 -3.27522613E-04 -3.54228179E-16 7.84302044E-04 2.84348857E-04 6.72478448E-18 -3.62609273E-03 -1.25412374E-04 -3.76087335E-17 1.16863633E-03 1.03513391E-03 3.68099859E-05 2.79410625E-16 -1.07975089E-04 4.55684812E-17 -1.67497244E-03 2.05921113E-04 -4.34283367E-16 3.68768537E-05 -7.30175516E-17 -1.16476896E-04 -1.54527803E-03 4.40179470E-03 2.60431286E-04 -3.86745772E-17 2.19562067E-04 1.24822085E-03 5.87508183E-17 -4.58005416E-03 1.17163030E-05 3.35123917E-04 -1.29440999E-03 1.75243474E-04 -1.61471373E-16 -1.33203718E-04 -5.23366717E-04 1.99118745E-16 1.64787323E-03 -7.72639336E-04 1.30115480E-04 -5.35127782E-04 8.28825698E-02 1.64288905E-14 9.95387743E-01 6.26767523E-04 1.15381073E-16 5.53601572E-03 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-2.34849806E-15 2.52980735E-15 -9.64547047E-02 3.95985357E-15 -8.39225553E-17 4.83081616E-17 4.93849905E-18 -1.20486153E-15 4.02851782E-01 -1.45972997E-16 -1.36289288E-15 -5.13584567E-01 -2.50887822E-15 -4.46976300E-02 -7.75126466E-02 1.49668169E-01 -5.68975056E-04 -5.06122664E-17 1.61659539E-02 2.32040909E-02 7.73277217E-16 -2.67658865E-02 3.91242402E-02 2.78779091E-16 1.14504427E-01 3.84781493E-01 -1.29049199E-01 -2.14561363E-15 -2.30153586E-02 1.89901751E-15 -5.69958478E-01 2.21987266E-01 3.76498590E-15 3.52821236E-02 -3.25873701E-15 -1.14581652E-01 1.01792676E+00 -8.27542235E-01 5.27087085E-01 5.68673792E-16 9.69222265E-02 -3.06350794E-01 -3.65669464E-15 -1.02600335E-01 2.62470893E-02 -1.08798910E-01 6.50960596E-02 5.80337290E-01 -2.57354234E-15 3.18554134E-01 -2.22102638E-01 4.55534392E-15 -4.52099136E-02 2.05299786E-01 3.77480866E-01 -3.56368739E-01 -1.37002950E-02 1.83922535E-16 9.53729327E-03 1.18555589E-01 -5.19915198E-15 1.08669392E-01 -1.45819901E-02 -4.07775294E-16 -1.67356386E-01 1.72563670E-01 -4.65549662E-01 1.07041790E-14 7.51234939E-02 -5.43007713E-15 -2.61130067E-01 7.92265272E-01 -1.98812076E-14 -1.24397222E-01 9.18707754E-15 2.70058713E-02 2.30766144E-01 1.87186407E-01 -1.12858598E-01 -2.88687240E-15 -2.96313923E-01 -3.17900812E-01 2.86884454E-14 2.17450850E-01 -8.50559212E-03 1.01385385E-01 -8.08381243E-03 -5.36142502E-01 2.72770076E-14 -2.83098620E-01 7.62262787E-01 -4.57220348E-14 3.45896120E-01 1.29916663E-14 2.18137999E-14 -2.84498023E-14 -2.08099601E-16 -6.72929023E-03 1.44397334E-15 2.25643924E-15 1.39759467E-01 -4.59249815E-15 -9.50887699E-17 1.65395412E-02 -9.47460742E-15 1.17784024E-14 -1.50844804E-14 -3.19967519E-01 7.51307745E-15 1.48251200E-01 -2.21159713E-14 2.54306293E-14 5.88072941E-01 -1.21977879E-14 -2.49871485E-01 2.12742283E-15 -2.07006328E-14 3.98230809E-14 -7.44250760E-15 7.90598995E-02 -1.46471145E-14 -1.12430961E-14 -8.02592980E-01 1.34183577E-14 -8.16749291E-17 2.70439536E-15 -2.34430947E-15 -2.73429301E-14 -7.54349415E-01 2.51684009E-15 3.16879788E-14 1.26799833E+00 -1.23622969E-14 3.22328390E-01 5.17474648E-01 -6.35038237E-01 1.18847548E-02 2.00846238E-16 5.16843670E-02 -1.00612761E-01 -3.00204890E-15 -1.30121807E-01 -1.24050751E-02 -5.40738881E-16 -1.86423399E-01 3.71574070E-01 2.09194831E-01 7.95418627E-15 3.26230817E-02 -3.28356776E-15 -6.63611427E-01 -3.78940791E-01 -1.44451921E-14 -5.65045556E-02 5.54338790E-15 1.20821542E-02 -6.00330029E-01 9.70192605E-01 -8.69164599E-02 -1.94190757E-15 -2.22789828E-01 1.08761548E-01 1.78337072E-14 5.55555650E-01 4.45576437E-03 -3.50888452E-02 -2.12362448E-01 -3.91091807E-01 1.58581994E-14 4.77791759E-01 4.62762189E-01 -2.69508314E-14 -8.88888682E-01 -5.99608048E-01 -1.19717855E+00 1.00770683E-01 -8.56989536E-03 5.15985508E-17 -1.15743840E-02 1.40459561E-01 -5.51223994E-16 -1.35743364E+00 -8.63103335E-03 -5.01103023E-17 2.54859220E-01 3.31238241E-01 -1.14381083E-01 1.20061887E-15 -2.72420729E-02 -2.93353803E-16 -9.69609490E-01 2.54482226E-01 -2.25591967E-15 4.92723369E-02 5.59227329E-16 2.30700770E-02 -1.36156587E+00 2.32465007E+00 1.02653788E-01 -2.87466045E-16 1.97496445E-01 3.31072616E-01 3.14259935E-15 -1.74724380E+00 6.11979896E-03 -8.73335369E-02 -1.43897026E-01 1.59525165E-01 2.98425876E-15 -2.68027494E-01 -4.38997269E-01 -4.99847780E-15 7.89352575E-01 2.09322182E-02 7.70861889E-02 3.05897105E-02 -3.35032664E-04 -5.84427432E-18 1.64557538E-03 1.02688734E-01 1.69913508E-18 1.46881640E-01 5.31588214E-02 1.37962652E-18 1.12163509E-02 -4.02387446E-02 -4.44967690E-02 -1.33077881E-17 2.07251335E-02 -3.90324356E-18 1.67727627E-01 1.45350274E-01 -1.59603782E-18 -4.80397900E-02 2.71697022E-19 -2.30074161E-02 -5.44415750E-02 -2.06673042E+00 -3.87414896E-01 3.50192564E-18 -2.54735027E-01 -9.53747699E-01 -1.38680002E-17 -3.75535899E-01 8.94951093E-02 -2.01448183E+00 3.75004106E+00 -2.66384186E-02 2.11276026E-17 -3.17795241E-02 -8.45368969E-01 -3.14718734E-18 -5.24224895E-01 Total SCF Density R N= 820 1.98562293E+00 -1.82183203E-02 5.40173300E-01 6.45624002E-03 5.02034551E-01 4.73955592E-01 -1.45296093E-04 -2.73019494E-03 -2.29096600E-03 1.99549792E+00 -8.25726321E-16 7.56476819E-14 7.26248948E-14 -4.46639594E-16 1.99536634E+00 5.50676920E-04 8.12459461E-04 1.89108750E-03 -4.91156007E-04 1.28192257E-15 1.99837613E+00 6.04439421E-04 -6.96137766E-04 -1.70849258E-03 1.27743217E-02 -4.42278643E-16 7.67028511E-04 1.21113972E-03 3.83141434E-15 -1.54453949E-12 -1.44132060E-12 1.26351232E-14 1.31537422E-02 -2.97894654E-14 -1.11883888E-14 1.29277539E-04 -8.08368739E-03 3.60518517E-02 3.21726568E-02 9.46723887E-04 2.52960908E-15 6.48298943E-03 -2.35232473E-03 -4.59895412E-14 1.23732455E-02 -3.24274551E-04 1.46823693E-02 1.41035447E-02 -2.83242268E-03 2.81972791E-15 3.49961091E-04 2.27433538E-04 -4.83781621E-14 -2.40716818E-04 8.61253336E-04 -7.99366604E-15 3.57599408E-12 3.33541714E-12 -3.01200431E-14 -2.69400415E-03 7.08952734E-14 2.59858142E-14 -6.70303059E-05 1.01130742E-13 1.13155350E-13 4.18055225E-04 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7.31849353E-14 -4.68647236E-03 1.45964961E-03 -6.66455636E-04 3.70475547E-15 1.49809509E+00 4.51496741E-16 2.49044939E-15 4.09413004E-15 1.59699948E-14 1.37118213E-04 -2.07834474E-16 -7.65179688E-14 2.25552797E-04 6.51121816E-15 6.76002967E-16 1.06186979E-03 -1.46378239E-14 -4.92048840E-16 -5.42000581E-15 7.48520866E-04 6.38214111E-16 1.49795388E+00 -2.30104185E-03 -2.77492366E-03 -1.74958807E-02 -2.69036583E-04 1.25357202E-15 -6.98650083E-04 7.41410062E-04 -5.66378450E-14 -8.08786678E-03 1.20922954E-04 1.73647178E-13 -1.44519401E-02 4.20703470E-01 4.77179722E-03 -7.83440531E-15 1.51053180E-03 1.06379468E-15 1.21282889E-01 1.04482931E-03 2.43749178E-04 8.66280996E-04 -2.28519847E-04 -1.04156238E-15 -6.27614756E-04 -4.84092140E-04 2.24513115E-14 5.63716904E-03 -5.13098642E-03 -6.00936834E-14 3.06706980E-03 2.06736995E-04 4.32915483E-01 1.24725676E-15 1.54084892E-03 2.05406152E-15 1.26367469E-03 1.25512767E-01 -3.50682507E-15 3.81526447E-14 3.30745243E-14 -1.09150193E-15 -7.13151464E-04 3.74539242E-15 6.65240874E-16 2.20691186E-03 -5.27564705E-14 9.27457940E-16 -4.63901163E-03 3.87521153E-14 1.07484299E-14 -3.49115556E-15 4.34257436E-01 -1.53531657E-15 1.72057363E-03 8.44570218E-16 -6.66826336E-16 1.27018203E-01 2.25499522E-04 -1.63201220E-03 -1.03309721E-03 9.49904099E-05 -1.03061915E-15 2.73741760E-04 1.83467954E-04 2.23187949E-14 -1.56554731E-04 3.80234610E-04 2.41085854E-15 -2.87191082E-04 2.88862837E-04 1.02762066E-03 -2.92682532E-15 4.39614565E-01 4.30763502E-16 3.67805075E-04 8.01116056E-04 -1.83031859E-15 1.29023971E-01 -1.03963223E-16 -4.28084836E-15 -3.51498799E-15 1.73488152E-15 1.15723447E-04 6.25377605E-16 -2.25998536E-14 7.53425678E-05 2.05338090E-15 -4.52010213E-17 3.33360790E-04 -2.15954475E-15 -8.89622141E-16 3.50992625E-15 1.10837938E-03 -1.13953696E-16 4.39656968E-01 1.28189679E-16 2.03214703E-15 7.69238362E-04 6.86365062E-17 1.29046129E-01 2.47895388E-03 6.81448326E-03 2.35278212E-02 -2.25953213E-03 4.24904495E-15 1.27977455E-02 1.10068510E-03 -1.22667384E-13 -1.39459119E-02 3.55129869E-03 2.98467758E-13 -1.70178364E-02 1.02987795E-02 -6.04453536E-03 -1.17371650E-15 4.67363639E-04 8.69262068E-16 1.48379470E-03 -2.03390566E-03 2.32095129E-15 4.05893686E-04 -4.27893848E-16 2.09750087E+00 -7.97437840E-03 -1.07808795E-02 -4.88314512E-02 4.82484621E-03 -7.71960683E-15 -2.98990854E-02 -9.73219099E-04 2.53729234E-13 3.48398373E-02 -8.05449529E-03 -6.22436983E-13 3.38726776E-02 -3.89419786E-02 9.76609080E-03 1.84542545E-15 4.35819887E-04 -2.13062305E-15 -5.73802019E-03 4.05235126E-03 -6.14059697E-15 -5.67512888E-04 1.24053896E-15 -2.09545343E-01 5.28338045E-01 3.71036474E-03 -9.23712783E-02 -1.19061187E-01 8.72082749E-03 -3.13631281E-14 -3.46053854E-02 -1.30176738E-02 6.48917016E-13 5.94574566E-02 -1.29815694E-02 -1.53516522E-12 9.65663324E-02 -1.23616123E-03 5.23615606E-02 -7.02459765E-15 -1.08453977E-02 -2.04405590E-15 1.09582047E-02 1.07048306E-02 -1.92854658E-14 -2.98301101E-03 3.32510723E-15 -2.36299609E-01 4.95866255E-01 6.50141569E-01 8.04080587E-04 1.13788110E-01 9.44341245E-02 -7.86633838E-03 3.32953135E-14 2.00404174E-02 2.37488603E-02 -6.45254739E-13 -4.94376563E-02 1.06049659E-02 1.50123823E-12 -1.05444357E-01 7.86914884E-02 -2.22545177E-02 -1.11076724E-14 -2.62601349E-03 3.69548304E-15 8.99367765E-03 5.38830708E-03 1.40494104E-14 -1.66419232E-03 -2.81284423E-15 5.47839691E-02 -8.71498783E-02 -3.81726938E-01 5.79935988E-01 5.53643562E-15 6.88112651E-14 4.86004648E-14 -7.24140476E-16 -2.70424635E-03 -2.63551977E-16 1.21388395E-15 1.26783642E-03 3.41723172E-14 1.89177028E-15 7.71579251E-03 -8.01489312E-14 6.68322471E-15 -2.78528064E-15 4.17523220E-02 3.67167958E-15 -8.38726991E-03 6.10993608E-15 -3.90518487E-16 1.33285673E-02 1.35250465E-15 -1.37658632E-03 5.12119062E-15 -5.98463816E-15 -2.37729663E-14 2.55862504E-14 2.77305860E-01 4.92750535E-03 -1.92070853E-01 -1.59289946E-01 -3.11668814E-04 -1.83266958E-14 1.95359047E-02 4.69428624E-03 3.48072355E-13 -4.95121338E-02 -4.37614970E-03 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-3.94943912E-04 7.06807169E-17 8.98577622E-03 -4.54124018E-03 2.84741815E-02 -6.23834577E-02 -2.59505660E-15 -3.62738127E-02 -5.79615405E-05 -2.88219252E-15 3.61751920E-03 2.11796271E+00 -2.37853187E-03 -1.11650494E-02 7.62685662E-03 -1.03145500E-03 -2.91257293E-16 6.00975990E-03 3.76837030E-04 -2.45306833E-15 -1.30762162E-02 7.01942908E-03 2.25025218E-14 5.47368144E-03 6.40950416E-03 -1.35161237E-02 -4.31100119E-15 -1.69460403E-03 2.55270511E-15 9.73084077E-04 -2.57725552E-03 -1.26959710E-15 3.39703176E-04 6.22320619E-16 -1.48443685E-02 -3.09441199E-04 -6.93153903E-02 1.51576788E-01 6.87591525E-15 8.72250879E-02 7.12727182E-03 6.67124908E-15 -6.79246678E-03 -2.57537997E-01 5.98042871E-01 -4.65205295E-03 -1.62345210E-02 1.34266944E-02 -1.76267955E-03 -2.26841476E-15 3.59289438E-03 -4.26980998E-03 3.32428874E-14 -8.32668869E-03 7.83050597E-03 -5.21513707E-14 1.48568667E-02 -6.25924294E-04 -5.89602523E-02 3.70058297E-15 1.11704104E-02 -3.02759719E-15 3.15458455E-04 -1.83635257E-02 -1.25118464E-16 4.42738084E-03 -1.01234675E-15 4.15996076E-02 -1.39144233E-01 -1.23862946E-01 4.52553035E-02 7.49356614E-15 2.17857873E-02 2.42907217E-02 1.51744939E-14 1.15984623E-02 -2.46651448E-01 5.23482561E-01 5.25197853E-01 -3.25759424E-03 -8.68918130E-02 -6.89762494E-02 2.84101008E-03 -2.75731197E-14 -2.07466026E-02 -1.52944952E-02 5.50214903E-13 4.75608436E-02 -3.75169812E-04 -1.28223697E-12 9.53298834E-02 -5.48480738E-02 1.17261537E-02 6.49835000E-15 -3.68474856E-03 -1.26070525E-15 -1.02714534E-02 -1.62599792E-03 -1.46004679E-14 1.07960886E-03 1.65338462E-15 7.42545578E-02 -1.96247759E-01 1.16961156E-01 -3.40937808E-01 -1.60937283E-14 -4.23347985E-01 2.64790589E-02 8.54134458E-14 4.10294567E-02 -2.75848769E-02 4.43543787E-02 2.21761879E-01 8.75146445E-01 1.04623698E-14 -1.26996857E-13 -1.45314498E-13 1.01399788E-15 -4.67945351E-03 -6.45257677E-15 -6.91641384E-16 1.47391240E-03 6.85278589E-14 -4.70148038E-15 1.45590340E-02 -5.53112042E-14 -1.94650002E-14 1.18701268E-14 -6.31311883E-02 -8.83142788E-15 2.76358451E-03 -7.42561238E-17 3.65907699E-15 -1.65508663E-02 -4.92371462E-16 2.57376407E-03 -1.55010273E-14 4.28667173E-14 7.50033815E-14 -6.08136892E-14 4.67090220E-01 2.60882940E-14 -4.46718355E-14 8.45932734E-02 4.80301891E-14 4.11368376E-16 8.10997163E-16 3.79766117E-15 5.02123965E-14 7.99002213E-01 3.70126599E-03 1.54056045E-01 1.86436475E-01 4.21215382E-03 1.75661162E-14 1.40884378E-02 -2.33148989E-02 -4.10411827E-13 1.77765017E-02 1.10299795E-03 9.96600040E-13 -3.55770449E-02 9.15382808E-02 2.56213405E-02 -1.41183798E-14 -6.30831461E-04 -1.68040734E-15 4.23500485E-02 -7.31262266E-03 6.86145580E-15 -8.44462014E-04 -1.48019282E-16 5.80072929E-02 -1.51734695E-01 1.17413471E-02 -4.12559485E-01 1.53336453E-14 1.32760487E-01 2.23164567E-02 -5.74131937E-14 9.16480993E-02 -1.66348824E-02 2.82543748E-02 1.24725693E-01 -2.48179991E-02 -4.22142599E-14 8.72517894E-01 -2.91762819E-03 -6.64179885E-02 -6.11842567E-02 8.93521547E-04 -1.56082356E-14 -8.41117863E-03 -3.12596607E-03 2.92509746E-13 1.26260926E-02 -8.00406385E-04 -6.83841545E-13 4.45525735E-02 -3.09953664E-02 1.20477679E-02 -1.76219169E-14 2.08222495E-04 1.84774779E-15 -8.50252459E-03 3.20461100E-03 -1.33528137E-14 9.68863176E-04 1.55721461E-15 6.33312043E-03 -1.71834762E-02 6.25811167E-02 -7.15017289E-02 -1.27141740E-15 -1.21039260E-01 -2.30711285E-03 4.45832510E-14 7.78184333E-03 -3.35292965E-02 7.67714500E-02 1.08161847E-01 2.68589662E-01 4.29442832E-14 -8.22856926E-02 9.91975446E-02 5.66611696E-15 -6.51124451E-14 -7.27412662E-14 1.39592549E-15 -2.20525595E-03 -3.61223563E-15 -8.20887038E-16 5.17414984E-04 3.21311097E-14 -2.46913718E-15 6.48009539E-03 -2.22214082E-14 -4.69566152E-15 5.44066671E-15 -4.93646380E-02 -3.11344832E-15 9.02240251E-03 1.12558338E-15 1.63501360E-15 -1.36108999E-02 8.66605868E-17 3.38945906E-03 -1.09067181E-14 2.52762290E-14 4.23754001E-14 -3.28342126E-14 1.99324605E-01 1.29311220E-14 -2.19700409E-14 3.52110884E-02 2.25766099E-14 8.40705606E-16 -4.43164635E-15 -3.83592142E-15 2.17938163E-14 3.43077681E-01 -2.03932638E-14 1.93778043E-14 1.47687545E-01 4.66803281E-03 1.00153867E-01 1.07919396E-01 1.16662141E-03 1.43528348E-14 9.03278924E-03 -7.06391621E-03 -3.10156119E-13 3.03812167E-03 2.05425717E-03 7.39346601E-13 -3.54928838E-02 6.65064966E-02 -1.44635132E-03 -3.70709577E-15 -5.58259133E-03 -2.17713204E-15 2.50392257E-02 -5.28173512E-03 7.23596220E-15 -2.21844037E-03 -1.09330945E-15 1.36077431E-02 -3.52160327E-02 -1.45697692E-02 -9.95065569E-02 1.01092366E-14 7.90200597E-02 1.26203648E-02 -4.48831637E-14 2.48127515E-02 -2.24584335E-02 5.24292689E-02 6.44008411E-02 -9.45960918E-02 -3.32575882E-14 3.36233975E-01 -5.42998118E-02 -1.61537105E-14 1.44363741E-01 Cartesian Gradient R N= 9 -5.25148387E-05 3.57533737E-16 -2.70130110E-06 1.68738113E-04 -1.44367877E-14 3.22454799E-05 -1.16223274E-04 1.40792540E-14 -2.95441788E-05 Cartesian Force Constants R N= 45 3.18024794E-03 -4.22516540E-12 -6.78926689E-04 6.32812005E-05 3.85052683E-12 5.91164882E-03 -7.35639218E-03 -4.27432538E-11 1.62423610E-02 6.11517190E-01 1.26190697E-11 6.91317161E-04 1.04313670E-11 1.13606058E-10 -7.29067415E-04 5.35706541E-03 -2.09124753E-11 7.31223357E-03 3.34451533E-01 2.57393621E-11 2.11483428E-01 4.17614423E-03 4.66858249E-11 -1.63056422E-02 -6.04160798E-01 -1.26062487E-10 -3.39808599E-01 5.99984654E-01 -8.26281750E-12 -1.23904797E-05 -1.51503088E-11 -6.86850854E-11 3.77502613E-05 -2.20751904E-12 7.70678560E-11 -2.53597829E-05 -5.42034660E-03 1.62450094E-11 -1.32238824E-02 -3.50693894E-01 -3.52588324E-11 -2.18795661E-01 3.56114241E-01 1.72628701E-11 2.32019544E-01 Dipole Moment R N= 3 -3.49971902E-01 5.81666141E-15 -3.33623694E-02 Dipole Derivatives R N= 27 -7.68053687E-01 -2.27940608E-09 -6.20068913E-02 -1.41291904E-09 -8.98505030E-01 3.44377324E-09 -5.95146701E-02 1.25118971E-08 -7.57263346E-01 8.73657418E-02 -1.63129919E-08 2.69428491E+00 7.17625356E-09 4.99140015E-02 -1.18462278E-08 4.81958084E-01 -2.35322013E-08 1.37316918E+00 -3.19312055E-01 1.84263038E-08 -2.63227802E+00 -5.66654640E-09 -1.51408973E-01 8.44767104E-09 -4.22443411E-01 1.06110057E-08 -1.61590584E+00 Polarizability R N= 6 1.14191861E+02 5.83084873E-08 1.15542683E+02 4.99107565E+00 6.31650283E-07 1.76211448E+02 Polarizability Derivatives R N= 54 -2.45583080E+00 -3.98090890E-09 -1.06286007E+00 -1.51032088E+01 -1.13949406E-09 -2.10304288E+00 -5.21311642E-09 -1.14590036E+00 -7.46767236E-10 2.45796180E-09 -1.10797593E+01 4.72291996E-09 -7.46905799E+00 1.76409128E-09 -6.34993824E+00 -7.22002613E-01 -1.86562635E-09 -1.61609535E+01 4.57192078E+01 -1.31784071E-10 5.11180882E+01 1.32891914E+01 1.06493125E-08 -1.10834556E+01 2.80699564E-09 1.62215878E+00 -2.29148876E-09 -5.40099037E-09 6.20586958E+00 -1.37270400E-09 3.11780045E+01 -6.54303532E-09 3.26813971E+01 -7.13236594E+00 1.50473603E-08 -5.66305358E+00 -4.32633770E+01 3.94641304E-09 -5.00552281E+01 1.81401734E+00 -9.27698118E-09 1.31864985E+01 4.84143438E-10 -4.76258417E-01 3.04355788E-09 2.53332463E-09 4.87388971E+00 5.38194759E-09 -2.37089466E+01 6.28384298E-09 -2.63314589E+01 7.85436856E+00 -9.43177127E-09 2.18240071E+01 HyperPolarizability R N= 10 -9.74722185E+01 2.28005682E-07 -4.13265380E+01 -1.10861066E-06 -1.23745200E+03 -2.64376236E-07 -1.04972813E+03 -1.56935991E+02 9.97576202E-08 -2.00435099E+03 QEq coupling tensors R N= 18 -3.89839960E-03 3.32723816E-16 -8.70959139E-03 -3.28735201E-03 -1.01775556E-14 1.26079910E-02 4.90962576E-01 6.39086462E-14 -4.44120010E-01 3.03268216E-01 -4.10097064E-14 -4.68425659E-02 1.95793172E-01 4.61520037E-13 -4.16206402E-01 -2.69459019E-01 -3.87454996E-13 2.20413230E-01 Mulliken Charges R N= 3 -8.32168422E-01 3.16941403E-02 -1.99525718E-01 Optimization MaxStp I 2 Optimization Job offset I 0 Optimization Num results per geometry I 2 Optimization Num geometry variables I 9 Opt point 1 Results for each geome R N= 2 -2.59090287E+02 0.00000000E+00 Opt point 1 Geometries R N= 9 9.67667715E-02 1.20862106E-34 -6.43912160E-01 -3.01611414E-01 -4.25638620E-35 4.29642398E+00 1.63613716E+00 -7.82982440E-35 5.46972204E+00 Opt point 1 Gradient at each geome R N= 9 -5.25148387E-05 3.57533737E-16 -2.70130110E-06 1.68738113E-04 -1.44367877E-14 3.22454799E-05 -1.16223274E-04 1.40792540E-14 -2.95441788E-05 Optimization Number of geometries I N= 1 1