Ag1CORamTm1 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 0 2 0 0 0 0 0 402 200000 4 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 2.555376411094409E+00 SCF Energy R -2.590902875408031E+02 Total Energy R -2.590902875408031E+02 RMS Force R 1.254433935254587E-05 RMS Density R 6.344315154768540E-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 9.74029598E-02 1.39847119E-36 -6.43030893E-01 -3.02688673E-01 2.70355702E-35 4.29707888E+00 1.63657823E+00 -2.84340462E-35 5.46818587E+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 9.74029598E-02 1.39847119E-36 -6.43030893E-01 -3.02688673E-01 2.70355702E-35 4.29707888E+00 1.63657823E+00 -2.84340462E-35 5.46818587E+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 9.74029598E-02 1.39847119E-36 -6.43030893E-01 9.74029598E-02 1.39847119E-36 -6.43030893E-01 9.74029598E-02 1.39847119E-36 -6.43030893E-01 9.74029598E-02 1.39847119E-36 -6.43030893E-01 9.74029598E-02 1.39847119E-36 -6.43030893E-01 9.74029598E-02 1.39847119E-36 -6.43030893E-01 9.74029598E-02 1.39847119E-36 -6.43030893E-01 9.74029598E-02 1.39847119E-36 -6.43030893E-01 -3.02688673E-01 2.70355702E-35 4.29707888E+00 -3.02688673E-01 2.70355702E-35 4.29707888E+00 -3.02688673E-01 2.70355702E-35 4.29707888E+00 -3.02688673E-01 2.70355702E-35 4.29707888E+00 -3.02688673E-01 2.70355702E-35 4.29707888E+00 1.63657823E+00 -2.84340462E-35 5.46818587E+00 1.63657823E+00 -2.84340462E-35 5.46818587E+00 1.63657823E+00 -2.84340462E-35 5.46818587E+00 1.63657823E+00 -2.84340462E-35 5.46818587E+00 1.63657823E+00 -2.84340462E-35 5.46818587E+00 Alpha Orbital Energies R N= 40 -1.90526264E+01 -1.01443275E+01 -3.37517393E+00 -2.01463032E+00 -2.01227871E+00 -2.01180578E+00 -9.62850388E-01 -3.79208422E-01 -2.70013536E-01 -2.69082744E-01 -1.97955771E-01 -1.02376275E-01 -1.02003275E-01 -9.98323641E-02 -9.98181219E-02 -9.60852602E-02 2.60325655E-02 1.14753770E-01 1.22047331E-01 1.32661414E-01 1.44132986E-01 1.54351804E-01 2.62200372E-01 2.65966035E-01 3.06407085E-01 3.56904554E-01 4.33274400E-01 4.84337315E-01 6.65635140E-01 7.33606015E-01 7.71819717E-01 7.81445287E-01 7.89212078E-01 8.08031311E-01 8.36193439E-01 8.69590120E-01 8.83078754E-01 9.70857528E-01 1.13273813E+00 1.81458636E+00 Alpha MO coefficients R N= 1600 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-1.67894215E-01 1.73493205E-01 -4.65065160E-01 8.94857190E-14 7.54769192E-02 1.40986553E-14 -2.62591577E-01 7.91433532E-01 -1.52676245E-13 -1.24980819E-01 -2.27779973E-14 2.68957408E-02 2.31172825E-01 1.88715486E-01 -1.12074649E-01 -6.32141757E-14 -2.96260022E-01 -3.17710355E-01 7.38280536E-14 2.18106999E-01 -8.40159684E-03 1.00937695E-01 -8.71644238E-03 -5.36324452E-01 -1.03161225E-13 -2.81963056E-01 7.63531589E-01 1.44883463E-13 3.45099180E-01 -5.07664238E-14 -9.41700525E-14 9.28692450E-14 -5.77027751E-15 -6.69637426E-03 -1.46133243E-15 5.45448130E-14 1.39532592E-01 -3.11591859E-14 -1.13527410E-13 1.64550354E-02 7.47919967E-14 1.16846048E-14 3.06776021E-14 -3.19174058E-01 -1.67413052E-14 1.48804629E-01 -2.01534644E-14 -5.75728902E-14 5.86684449E-01 2.82533358E-14 -2.50799286E-01 -5.23464414E-15 7.67662562E-14 -9.37829461E-14 -3.77778299E-14 7.88990804E-02 1.05372833E-14 1.03201339E-13 -8.02143502E-01 -5.35161430E-14 1.06155411E-15 3.38693482E-15 -1.96891370E-14 1.11927200E-14 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5.07832434E-14 4.92957966E-02 1.14902264E-15 2.30524376E-02 -1.36242266E+00 2.32530531E+00 1.02819583E-01 6.44749238E-14 1.97286896E-01 3.31042813E-01 -1.19397802E-13 -1.74574694E+00 6.17533330E-03 -8.77247775E-02 -1.44621567E-01 1.59286328E-01 2.05734894E-14 -2.67330589E-01 -4.38185272E-01 -2.62840601E-14 7.87835573E-01 2.16277140E-02 7.82457610E-02 3.02131848E-02 -2.99472744E-04 -9.07684785E-15 1.75409947E-03 1.02304530E-01 8.97982331E-14 1.47797781E-01 5.32976444E-02 -1.36420340E-13 1.08768557E-02 -4.02069384E-02 -4.42529245E-02 2.63192751E-15 2.07820446E-02 -3.72891130E-16 1.67985886E-01 1.44740577E-01 -6.81184502E-15 -4.81801064E-02 8.06898568E-16 -2.29915416E-02 -5.38723595E-02 -2.06749786E+00 -3.87791015E-01 -1.03999431E-14 -2.54460855E-01 -9.54237230E-01 1.91572429E-14 -3.73503646E-01 8.95021043E-02 -2.01441462E+00 3.74977414E+00 -2.66260995E-02 -3.39635171E-15 -3.17075998E-02 -8.46001827E-01 7.60049342E-15 -5.23396128E-01 Total SCF Density R N= 820 1.98562535E+00 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6.50108536E-01 8.32009088E-04 1.13634319E-01 9.41909739E-02 -7.87088796E-03 4.01797617E-15 2.00303300E-02 2.37752513E-02 -1.07253431E-13 -4.93974980E-02 1.05895591E-02 2.45164412E-13 -1.05421694E-01 7.85840065E-02 -2.23680566E-02 -9.05153624E-16 -2.61870735E-03 5.37614808E-16 8.97401639E-03 5.36936405E-03 2.92578953E-15 -1.66916109E-03 -4.24626619E-16 5.48046765E-02 -8.71704596E-02 -3.81865503E-01 5.80141360E-01 5.59139632E-16 9.76335388E-15 8.04339295E-15 2.31035799E-15 -2.70814636E-03 -3.49259437E-16 -4.00284766E-14 1.28054309E-03 2.00505801E-15 7.65876743E-14 7.71661637E-03 -5.23173899E-15 1.20254829E-15 -2.95949430E-15 4.17142086E-02 1.56320331E-15 -8.41554786E-03 1.66692897E-15 5.20666789E-16 1.33247067E-02 3.98486321E-16 -1.38343959E-03 1.07527097E-15 -2.20853142E-15 -1.26615618E-14 4.52771441E-15 2.77302554E-01 4.93078959E-03 -1.92213576E-01 -1.59380304E-01 -3.14411530E-04 -2.26669181E-15 1.95212202E-02 4.68735350E-03 6.09323723E-14 -4.94482154E-02 -4.37965328E-03 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-3.95894017E-04 3.26562661E-16 8.98142398E-03 -4.53486185E-03 2.84792853E-02 -6.24088724E-02 -1.09942505E-15 -3.61968887E-02 -5.06769861E-05 3.55714784E-15 3.61411314E-03 2.11796311E+00 -2.37636651E-03 -1.12160018E-02 7.57608078E-03 -1.03673370E-03 1.41291893E-16 6.00108294E-03 3.95430962E-04 -2.80438716E-14 -1.30653524E-02 7.01817761E-03 5.38146525E-14 5.50289111E-03 6.36567096E-03 -1.35515599E-02 5.61807172E-15 -1.69690034E-03 1.06549328E-16 9.53728582E-04 -2.57197254E-03 3.23751337E-15 3.40611962E-04 -3.06253290E-16 -1.48376601E-02 -3.18381995E-04 -6.93178586E-02 1.51638399E-01 8.03360608E-16 8.70441015E-02 7.11053016E-03 -6.47918162E-15 -6.79268558E-03 -2.57537110E-01 5.98034854E-01 -4.67541210E-03 -1.62977191E-02 1.33810932E-02 -1.76563511E-03 -2.05420315E-15 3.57932748E-03 -4.25133781E-03 -3.33245719E-14 -8.32799427E-03 7.82954230E-03 6.41286582E-14 1.49027735E-02 -7.64537978E-04 -5.89192488E-02 -1.78201864E-14 1.12057018E-02 7.51898048E-16 2.67878080E-04 -1.83367391E-02 -3.48004539E-15 4.44122264E-03 -1.56140366E-16 4.16013501E-02 -1.39133128E-01 -1.23848484E-01 4.52366684E-02 9.94308736E-15 2.17290011E-02 2.42779382E-02 -6.91007293E-15 1.15624676E-02 -2.46668107E-01 5.23514926E-01 5.25254467E-01 -3.27472061E-03 -8.67437283E-02 -6.87478635E-02 2.84446569E-03 -8.96934782E-16 -2.07332355E-02 -1.53061488E-02 4.63805757E-14 4.75648314E-02 -3.78460912E-04 -1.24570049E-13 9.53028024E-02 -5.47087071E-02 1.17959797E-02 2.29023674E-15 -3.70298811E-03 -2.91667239E-16 -1.02073671E-02 -1.61121786E-03 -5.39889700E-16 1.07986126E-03 2.37144066E-16 7.43099871E-02 -1.96396650E-01 1.16930763E-01 -3.41917930E-01 -7.28607650E-16 -4.22780856E-01 2.64680268E-02 4.50813345E-15 4.10433323E-02 -2.76105670E-02 4.44015819E-02 2.21925757E-01 8.75053383E-01 1.31036325E-15 -1.88197928E-14 -1.95497972E-14 6.38710327E-15 -4.68635796E-03 -4.80599119E-16 -8.01625927E-14 1.49590963E-03 4.55488032E-15 1.54202123E-13 1.45600294E-02 5.49528735E-15 -2.78418792E-15 7.30412190E-15 -6.31458094E-02 -1.79931399E-15 2.78104798E-03 1.48199566E-15 4.65507556E-15 -1.65431267E-02 -4.33158971E-16 2.58144000E-03 -2.70193379E-15 7.82773649E-15 -2.25857901E-15 -1.01071229E-14 4.67080139E-01 2.34944372E-15 -3.02373860E-14 8.46198095E-02 3.98259302E-15 1.22252310E-15 -4.29272862E-15 1.29552857E-14 7.56864261E-15 7.98969900E-01 3.68087109E-03 1.54150431E-01 1.86601023E-01 4.21486127E-03 2.21078645E-15 1.41479320E-02 -2.33448108E-02 -4.63311052E-14 1.75813770E-02 1.12138729E-03 1.15685354E-13 -3.56452434E-02 9.17101047E-02 2.55084476E-02 -3.55548695E-15 -6.31055035E-04 -2.20392834E-16 4.23582433E-02 -7.36963584E-03 2.43638570E-16 -8.41402798E-04 -2.60402811E-16 5.79094367E-02 -1.51506388E-01 1.16553781E-02 -4.11965523E-01 1.71584227E-15 1.33691845E-01 2.23395108E-02 -4.95805221E-15 9.15068700E-02 -1.65975543E-02 2.81819216E-02 1.24442222E-01 -2.48567091E-02 -5.81464276E-15 8.72609626E-01 -2.91454172E-03 -6.63156936E-02 -6.10618795E-02 8.92106544E-04 -6.88275001E-16 -8.40381255E-03 -3.12294018E-03 3.09072313E-14 1.26384442E-02 -8.00911168E-04 -7.82213351E-14 4.45110968E-02 -3.08838327E-02 1.21064147E-02 1.47205451E-14 1.97957204E-04 -8.41923570E-16 -8.45977194E-03 3.22411150E-03 3.56280323E-15 9.67083660E-04 -1.05324787E-16 6.34771412E-03 -1.72224391E-02 6.25485149E-02 -7.17800753E-02 -5.18839726E-15 -1.20870662E-01 -2.30198660E-03 3.20096072E-15 7.80213391E-03 -3.35501250E-02 7.68223327E-02 1.08240154E-01 2.68397097E-01 -4.70996177E-15 -8.22228070E-02 9.90793958E-02 7.14224288E-16 -9.69146932E-15 -9.83619144E-15 2.81181928E-15 -2.20863442E-03 -7.23773492E-17 -3.63567333E-14 5.27169068E-04 2.00371853E-15 7.03133440E-14 6.48062870E-03 2.83007164E-15 -8.04930782E-16 1.91603289E-15 -4.93353529E-02 -9.93013120E-16 9.05101832E-03 7.59839674E-16 1.69624826E-15 -1.35971737E-02 -2.42866291E-16 3.39903115E-03 -2.56993484E-15 3.53422224E-15 -1.20599779E-15 -4.34833524E-15 1.99335737E-01 2.27366613E-15 -1.38623760E-14 3.52269205E-02 1.84740696E-15 -1.16142683E-15 -1.34636723E-15 6.23061514E-15 2.43262603E-15 3.43086697E-01 -2.39826299E-15 -2.34224929E-15 1.47700343E-01 4.65541434E-03 1.00262369E-01 1.08043985E-01 1.16664862E-03 2.99641318E-15 9.04726332E-03 -7.08406665E-03 -3.93086505E-14 2.97704949E-03 2.06265167E-03 9.49134634E-14 -3.55313767E-02 6.65694674E-02 -1.57824548E-03 7.03980687E-15 -5.58033671E-03 -6.08259103E-16 2.50446102E-02 -5.33399404E-03 3.14104512E-15 -2.21774280E-03 -3.55955719E-16 1.35971754E-02 -3.51981838E-02 -1.45999908E-02 -9.93497990E-02 -1.83638946E-15 7.92410892E-02 1.26388045E-02 -5.37476312E-15 2.47728521E-02 -2.24106792E-02 5.23142861E-02 6.42586916E-02 -9.45134622E-02 -1.08334162E-14 3.36510595E-01 -5.42586027E-02 -4.71452687E-15 1.44537564E-01 Cartesian Gradient R N= 9 -2.88207658E-05 5.64167332E-13 2.97690958E-06 9.88936058E-06 9.08795036E-13 6.13115701E-06 1.89314052E-05 -5.77730093E-15 -9.10806659E-06 Cartesian Force Constants R N= 45 3.18158147E-03 4.45534071E-12 -6.79993140E-04 8.07773135E-05 -1.77837849E-12 5.93631181E-03 -7.36647261E-03 -6.12208164E-11 1.62450022E-02 6.11973716E-01 -2.52014959E-11 6.80501133E-04 1.98280957E-11 1.59021247E-10 -6.40331979E-04 5.34295158E-03 -3.31025249E-11 7.30470840E-03 3.33742031E-01 6.31816822E-11 2.10554498E-01 4.18489113E-03 5.91055646E-11 -1.63257795E-02 -6.04607243E-01 -1.36262698E-10 -3.39084983E-01 6.00422352E-01 1.92747753E-11 -5.08002317E-07 -1.76266851E-11 -1.02339234E-10 -4.01691466E-05 -3.14252242E-11 8.31673166E-11 4.06771495E-05 -5.42372889E-03 3.57250586E-11 -1.32410203E-02 -3.49987033E-01 -8.36511280E-11 -2.17859206E-01 3.55410762E-01 4.88491042E-11 2.31100227E-01 Dipole Moment R N= 3 -3.49782614E-01 -1.12086254E-11 -3.47552367E-02 Dipole Derivatives R N= 27 -7.67747248E-01 -1.60789348E-09 -6.12304846E-02 2.42778510E-09 -8.98235535E-01 5.76861326E-09 -5.92717796E-02 1.18340524E-08 -7.57428867E-01 8.69420887E-02 -1.98930302E-08 2.69350817E+00 -1.58947534E-08 4.92442151E-02 -1.95964093E-08 4.81450974E-01 -2.72631657E-08 1.37083758E+00 -3.19194840E-01 2.28893395E-08 -2.63227769E+00 1.22869033E-08 -1.51008683E-01 1.38299483E-08 -4.22179193E-01 1.59686846E-08 -1.61340871E+00 Polarizability R N= 6 1.14171950E+02 7.97561940E-08 1.15520777E+02 4.95075067E+00 5.66904768E-07 1.76176444E+02 Polarizability Derivatives R N= 54 -2.41940249E+00 -3.60855736E-09 -1.03974855E+00 -1.51002060E+01 -2.04601976E-09 -2.10280915E+00 -2.65469903E-09 -1.13734159E+00 -1.49612851E-08 -3.72032739E-10 -1.10831262E+01 -3.69124503E-09 -7.47353459E+00 1.00021558E-09 -6.35425220E+00 -7.24412153E-01 -3.12822952E-09 -1.61658153E+01 4.56779847E+01 -1.26987474E-09 5.10924482E+01 1.32786994E+01 1.27787038E-08 -1.11012467E+01 -1.03503547E-10 1.61300000E+00 1.51191625E-08 -8.11272389E-10 6.22349811E+00 -3.03800207E-09 3.11554439E+01 5.04190559E-10 3.26595718E+01 -7.12597489E+00 8.21814053E-09 -5.60941140E+00 -4.32585822E+01 2.69982520E-09 -5.00526996E+01 1.82150655E+00 -1.17764953E-08 1.32040558E+01 7.63208631E-10 -4.75658416E-01 -1.66798380E-10 1.62726567E-09 4.85962810E+00 5.63012148E-09 -2.36819093E+01 4.26481045E-09 -2.63053196E+01 7.85038704E+00 -4.63812244E-09 2.17752267E+01 HyperPolarizability R N= 10 -9.45485228E+01 3.55780222E-08 -4.03319674E+01 -6.81618072E-06 -1.23735000E+03 -1.84692290E-07 -1.04983453E+03 -1.56563812E+02 -3.00935191E-07 -2.00446553E+03 QEq coupling tensors R N= 18 -3.89588741E-03 -3.30725751E-15 -8.68572829E-03 -3.31655464E-03 -1.88410401E-15 1.25816157E-02 4.91656328E-01 1.08083297E-14 -4.44094496E-01 3.02641086E-01 -7.19234744E-15 -4.75618322E-02 1.94969740E-01 6.43236414E-14 -4.16417054E-01 -2.69731914E-01 -5.43445041E-14 2.21447314E-01 Mulliken Charges R N= 3 -8.32062402E-01 3.16531844E-02 -1.99590783E-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 -2.59090288E+02 0.00000000E+00 Opt point 1 Geometries R N= 9 9.74029598E-02 1.39847119E-36 -6.43030893E-01 -3.02688673E-01 2.70355702E-35 4.29707888E+00 1.63657823E+00 -2.84340462E-35 5.46818587E+00 Opt point 1 Gradient at each geome R N= 9 -2.88207658E-05 5.64167332E-13 2.97690958E-06 9.88936058E-06 9.08795036E-13 6.13115701E-06 1.89314052E-05 -5.77730093E-15 -9.10806659E-06 Optimization Number of geometries I N= 1 1