Jobname.Temp FOPT R 6-31G Number of atoms I 3 Charge I 0 Multiplicity I 1 Number of electrons I 10 Number of alpha electrons I 5 Number of beta electrons I 5 Atomic numbers I N= 3 8 1 1 Current cartesian coordinates R N= 9 -1.28847070E-17 -1.28847070E-17 2.10423234E-01 -1.47972434E+00 5.15388280E-17 -8.41692936E-01 1.47972434E+00 5.15388280E-17 -8.41692936E-01 Nuclear charges R N= 3 8.00000000E+00 1.00000000E+00 1.00000000E+00 Number of basis functions I 13 Number of contracted shells I 7 Number of primitive shells I 18 Highest angular momentum I 1 Largest degree of contraction I 6 Shell types I N= 7 0 -1 -1 0 0 0 0 Number of primitives per shell I N= 7 6 3 1 3 1 3 1 Shell to atom map I N= 7 1 1 1 2 2 3 3 Primitive exponents R N= 18 5.48467170E+03 8.25234950E+02 1.88046960E+02 5.29645000E+01 1.68975700E+01 5.79963530E+00 1.55396160E+01 3.59993360E+00 1.01376180E+00 2.70005800E-01 1.87311370E+01 2.82539370E+00 6.40121700E-01 1.61277800E-01 1.87311370E+01 2.82539370E+00 6.40121700E-01 1.61277800E-01 Contraction coefficients R N= 18 1.83109981E-03 1.39500985E-02 6.84450927E-02 2.32714275E-01 4.70192950E-01 3.58520862E-01 -1.10777504E-01 -1.48026305E-01 1.13076704E+00 1.00000000E+00 3.34945995E-02 2.34726947E-01 8.13757318E-01 1.00000000E+00 3.34945995E-02 2.34726947E-01 8.13757318E-01 1.00000000E+00 P(S=P) Contraction coefficients R N= 18 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 7.08742995E-02 3.39752798E-01 7.27158595E-01 1.00000000E+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 Coordinates of each shell R N= 21 -1.28847070E-17 -1.28847070E-17 2.10423234E-01 -1.28847070E-17 -1.28847070E-17 2.10423234E-01 -1.28847070E-17 -1.28847070E-17 2.10423234E-01 -1.47972434E+00 5.15388280E-17 -8.41692936E-01 -1.47972434E+00 5.15388280E-17 -8.41692936E-01 1.47972434E+00 5.15388280E-17 -8.41692936E-01 1.47972434E+00 5.15388280E-17 -8.41692936E-01 Current cartesian coordinates R N= 9 -1.28847070E-17 -1.28847070E-17 2.10423234E-01 -1.47972434E+00 5.15388280E-17 -8.41692936E-01 1.47972434E+00 5.15388280E-17 -8.41692936E-01 Orthonormalization Matrix R N= 91 1.52833697E+00 7.73334381E-17 2.66085551E-01 -4.85440978E-04 -3.44768423E-17 -1.71808813E-16 -2.15149738E-02 1.06286157E-16 3.81329638E-16 -4.29514077E-17 -6.36549009E-16 -4.17965766E-16 -5.80399586E-17 -2.02963945E-16 -1.61562292E-16 9.76120466E-17 -1.49541163E-16 3.81329638E-16 -5.09683434E-01 -2.67932926E-01 -1.30902409E-16 -5.89586518E-17 -6.79299977E-01 -2.67932926E-01 -6.79299977E-01 1.17298555E-16 1.06286157E-16 -3.13577545E-01 -5.91240707E-17 -8.28844731E-16 -3.59396022E-01 1.67902717E-16 3.83612237E-16 3.42026816E-02 -4.62399639E-02 -4.15084163E-02 1.11622601E+00 -1.49541163E-16 1.72237343E+00 -4.29514077E-17 -4.83346962E-17 -5.15743660E-17 -3.22577577E-16 5.78389126E-02 2.63640656E+00 -1.09528049E-01 -3.22577577E-16 -3.00142981E-01 2.33095179E-16 6.83632227E-17 2.78875471E-02 1.13846601E+00 -3.59396022E-01 -1.09304407E-01 1.22573506E-02 1.13690135E-02 -4.20329931E-16 -6.36549009E-16 2.03336205E-16 1.09304407E-01 -5.89586518E-17 -9.55685671E-01 -1.71808813E-16 2.78875471E-02 -4.85440978E-04 -1.09528049E-01 5.78294637E-03 -1.30902409E-16 1.67902717E-16 1.48356139E-16 1.19871764E-16 1.34545351E-01 1.37597575E-16 -5.15743660E-17 5.36092833E-02 1.22573506E-02 1.17298555E-16 5.78294637E-03 -3.44768423E-17 1.34545351E-01 -5.91240707E-17 4.41326286E-17 -5.36092833E-02 1.37597575E-16 -2.15149738E-02 -8.28844731E-16 1.15938624E-01 -4.15084163E-02 -4.20329931E-16 9.76120466E-17 1.02264955E+00 Overlap Matrix R N= 91 1.00000000E+00 2.33689906E-01 1.00000000E+00 -3.07965955E-34 3.75207585E-33 1.00000000E+00 -6.37788818E-34 1.49499907E-33 9.11794725E-66 1.00000000E+00 -1.87200973E-17 -6.75913896E-17 -2.55947066E-49 -1.64254335E-49 1.00000000E+00 1.67279760E-01 7.63640773E-01 0.00000000E+00 0.00000000E+00 -2.99071120E-17 1.00000000E+00 -2.45454562E-34 0.00000000E+00 5.01520641E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 1.00000000E+00 -7.12188499E-35 0.00000000E+00 0.00000000E+00 5.01520641E-01 0.00000000E+00 -1.60120529E-33 0.00000000E+00 1.00000000E+00 1.68353612E-18 -2.40014269E-17 0.00000000E+00 0.00000000E+00 5.01520641E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 1.00000000E+00 3.45394984E-02 2.46696583E-01 -2.32917911E-01 -1.83835482E-17 -1.65609698E-01 4.25721645E-01 -4.75370699E-01 -3.75196570E-17 -3.37998900E-01 1.00000000E+00 6.87597372E-02 3.79222848E-01 -1.20468402E-01 -9.50822827E-18 -8.56556522E-02 6.82430721E-01 -3.92434858E-01 -3.09737670E-17 -2.79029714E-01 6.58292049E-01 1.00000000E+00 3.45394984E-02 2.46696583E-01 2.32917911E-01 3.86648868E-17 -1.65609698E-01 4.25721645E-01 4.75370699E-01 7.89125841E-17 -3.37998900E-01 4.28949020E-02 2.08481537E-01 1.00000000E+00 6.87597372E-02 3.79222848E-01 1.20468402E-01 1.99980203E-17 -8.56556522E-02 6.82430721E-01 3.92434858E-01 6.51450516E-17 -2.79029714E-01 2.08481537E-01 4.93485096E-01 6.58292049E-01 1.00000000E+00 Kinetic Energy Matrix R N= 91 2.95401398E+01 -2.18540273E+00 1.71121096E+00 0.00000000E+00 0.00000000E+00 4.25187706E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 4.25187706E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 4.25187706E+00 1.31282499E-01 4.80047821E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 4.05008700E-01 0.00000000E+00 0.00000000E+00 5.47243224E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 6.75014500E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 5.47243224E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 6.75014500E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 5.47243224E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 6.75014500E-01 -2.23092229E-02 1.90602451E-02 -1.80326958E-01 -1.42326938E-17 -1.28216386E-01 1.41621657E-01 -3.46156728E-01 -2.73211658E-17 -2.46124958E-01 1.39567828E+00 2.12871278E-02 1.09394490E-01 -6.90537125E-02 -5.45021309E-18 -4.90986905E-02 1.60842872E-01 -1.71740323E-01 -1.35549751E-17 -1.22111102E-01 2.59735083E-01 2.41916700E-01 -2.23092229E-02 1.90602451E-02 1.80326958E-01 2.99346725E-17 -1.28216386E-01 1.41621657E-01 3.46156728E-01 5.74627800E-17 -2.46124958E-01 -4.24070233E-02 1.90669136E-02 1.39567828E+00 2.12871278E-02 1.09394490E-01 6.90537125E-02 1.14630685E-17 -4.90986905E-02 1.60842872E-01 1.71740323E-01 2.85092722E-17 -1.22111102E-01 1.90669136E-02 6.31721217E-02 2.59735083E-01 2.41916700E-01 Nuclear Attraction Matrix R N= 91 -6.25827434E+01 -5.18126290E+00 -1.16323634E+01 0.00000000E+00 0.00000000E+00 -1.27934072E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00 -1.26799110E+01 2.55616288E-02 1.73842828E-01 0.00000000E+00 0.00000000E+00 -1.27372892E+01 -5.50266760E+00 -7.86791011E+00 0.00000000E+00 0.00000000E+00 1.64151325E-01 -7.66991676E+00 0.00000000E+00 0.00000000E+00 -4.37410741E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 -5.48398264E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 -4.27051770E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 -5.24618384E+00 3.52234629E-03 1.11276170E-01 0.00000000E+00 0.00000000E+00 -4.32288768E+00 2.32399094E-01 0.00000000E+00 0.00000000E+00 -5.36640348E+00 -1.09263186E+00 -2.35852486E+00 2.01724706E+00 0.00000000E+00 1.45861476E+00 -3.03320289E+00 2.87051765E+00 0.00000000E+00 2.06932388E+00 -6.38659401E+00 -2.23290134E+00 -3.72470756E+00 1.00017654E+00 0.00000000E+00 7.85724237E-01 -4.52263650E+00 1.90361766E+00 0.00000000E+00 1.48325225E+00 -3.80983662E+00 -4.74119336E+00 -1.09263186E+00 -2.35852486E+00 -2.01724706E+00 0.00000000E+00 1.45861476E+00 -3.03320289E+00 -2.87051765E+00 0.00000000E+00 2.06932388E+00 -3.51529729E-01 -1.40217934E+00 -6.38659401E+00 -2.23290134E+00 -3.72470756E+00 -1.00017654E+00 0.00000000E+00 7.85724237E-01 -4.52263650E+00 -1.90361766E+00 0.00000000E+00 1.48325225E+00 -1.40217934E+00 -2.76907573E+00 -3.80983662E+00 -4.74119336E+00 Core Hamiltonian Matrix R N= 91 -3.30426036E+01 -7.36666563E+00 -9.92115249E+00 0.00000000E+00 0.00000000E+00 -8.54153015E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 -8.42803391E+00 2.55616288E-02 1.73842828E-01 0.00000000E+00 0.00000000E+00 -8.48541215E+00 -5.37138510E+00 -7.38786229E+00 0.00000000E+00 0.00000000E+00 1.64151325E-01 -7.26490806E+00 0.00000000E+00 0.00000000E+00 -3.82686419E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 -4.80896814E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 -3.72327448E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 -4.57116934E+00 3.52234629E-03 1.11276170E-01 0.00000000E+00 0.00000000E+00 -3.77564445E+00 2.32399094E-01 0.00000000E+00 0.00000000E+00 -4.69138898E+00 -1.11494109E+00 -2.33946462E+00 1.83692010E+00 -1.42326938E-17 1.33039838E+00 -2.89158123E+00 2.52436092E+00 -2.73211658E-17 1.82319892E+00 -4.99091573E+00 -2.21161421E+00 -3.61531307E+00 9.31122825E-01 -5.45021309E-18 7.36625547E-01 -4.36179363E+00 1.73187733E+00 -1.35549751E-17 1.36114115E+00 -3.55010154E+00 -4.49927666E+00 -1.11494109E+00 -2.33946462E+00 -1.83692010E+00 2.99346725E-17 1.33039838E+00 -2.89158123E+00 -2.52436092E+00 5.74627800E-17 1.82319892E+00 -3.93936753E-01 -1.38311243E+00 -4.99091573E+00 -2.21161421E+00 -3.61531307E+00 -9.31122825E-01 1.14630685E-17 7.36625547E-01 -4.36179363E+00 -1.73187733E+00 2.85092722E-17 1.36114115E+00 -1.38311243E+00 -2.70590361E+00 -3.55010154E+00 -4.49927666E+00 Multipole Matrix (1,0,0) R N= 91 -1.28847070E-17 -3.01102597E-18 -1.28847070E-17 7.27077806E-02 4.96075284E-01 -1.28847070E-17 0.00000000E+00 0.00000000E+00 0.00000000E+00 -1.28847070E-17 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 -1.28847070E-17 -2.15535069E-18 -9.83928761E-18 4.82583279E-01 0.00000000E+00 0.00000000E+00 -1.28847070E-17 1.00190010E-02 3.29089724E-01 -6.46194651E-18 0.00000000E+00 0.00000000E+00 9.62240114E-01 -1.28847070E-17 0.00000000E+00 0.00000000E+00 0.00000000E+00 -6.46194651E-18 0.00000000E+00 0.00000000E+00 0.00000000E+00 -1.28847070E-17 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 -6.46194651E-18 0.00000000E+00 0.00000000E+00 0.00000000E+00 -1.28847070E-17 -3.71030941E-03 -1.57095728E-01 2.50417433E-01 1.09825532E-17 9.89372286E-02 -4.57420756E-01 7.39349319E-01 4.06445364E-17 3.66149631E-01 -1.47972434E+00 -1.93563751E-03 -8.13376375E-02 2.75009248E-01 1.78455725E-18 1.60763300E-02 -3.77616562E-01 1.03935900E+00 1.71390400E-17 1.54398444E-01 -9.74090769E-01 -1.47972434E+00 3.71030941E-03 1.57095728E-01 2.50417433E-01 2.30988692E-17 -9.89372286E-02 4.57420756E-01 7.39349319E-01 8.54849337E-17 -3.66149631E-01 -6.50521303E-19 1.92870897E-01 1.47972434E+00 1.93563751E-03 8.13376375E-02 2.75009248E-01 3.75333985E-18 -1.60763300E-02 3.77616562E-01 1.03935900E+00 3.60473959E-17 -1.54398444E-01 -1.92870897E-01 0.00000000E+00 9.74090769E-01 1.47972434E+00 Multipole Matrix (0,1,0) R N= 91 -1.28847070E-17 -3.01102597E-18 -1.28847070E-17 0.00000000E+00 0.00000000E+00 -1.28847070E-17 7.27077806E-02 4.96075284E-01 0.00000000E+00 -1.28847070E-17 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 -1.28847070E-17 -2.15535069E-18 -9.83928761E-18 0.00000000E+00 4.82583279E-01 0.00000000E+00 -1.28847070E-17 0.00000000E+00 0.00000000E+00 -6.46194651E-18 0.00000000E+00 0.00000000E+00 0.00000000E+00 -1.28847070E-17 1.00190010E-02 3.29089724E-01 0.00000000E+00 -6.46194651E-18 0.00000000E+00 9.62240114E-01 0.00000000E+00 -1.28847070E-17 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 -6.46194651E-18 0.00000000E+00 0.00000000E+00 0.00000000E+00 -1.28847070E-17 -7.37875484E-19 -1.55777321E-17 1.39836322E-17 1.11269466E-01 9.94266644E-18 -4.15882177E-17 4.67695486E-17 2.24386677E-01 3.32541656E-17 -1.29675140E-16 -1.03872343E-18 -1.13059236E-17 3.33675731E-18 2.52399067E-01 2.37250697E-18 -3.85971209E-17 2.21954481E-17 8.22208898E-01 1.57814460E-17 -8.53641136E-17 -1.29675140E-16 1.70888226E-19 2.28996239E-17 2.00977902E-17 1.11269466E-01 -1.42899656E-17 7.04475552E-17 7.93599216E-17 2.24386677E-01 -5.64266291E-17 2.21075298E-18 3.43647668E-17 2.32752796E-16 -5.64628973E-19 8.61605186E-18 2.20113979E-18 2.52399067E-01 -1.56505823E-18 5.38922619E-17 3.09909878E-17 8.22208898E-01 -2.20352659E-17 -1.28749786E-17 2.54336434E-17 1.53219315E-16 2.32752796E-16 Multipole Matrix (0,0,1) R N= 91 2.10423234E-01 4.91737858E-02 2.10423234E-01 0.00000000E+00 0.00000000E+00 2.10423234E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 2.10423234E-01 7.27077806E-02 4.96075284E-01 0.00000000E+00 0.00000000E+00 2.10423234E-01 3.51995480E-02 1.60687761E-01 0.00000000E+00 0.00000000E+00 4.82583279E-01 2.10423234E-01 0.00000000E+00 0.00000000E+00 1.05531595E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 2.10423234E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 1.05531595E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 2.10423234E-01 1.00190010E-02 3.29089724E-01 0.00000000E+00 0.00000000E+00 1.05531595E-01 9.62240114E-01 0.00000000E+00 0.00000000E+00 2.10423234E-01 4.62980231E-03 -5.97877840E-02 4.99258885E-02 3.94050836E-18 1.46767858E-01 -2.35654374E-01 2.66120591E-01 2.10041412E-17 4.13604202E-01 -8.41692936E-01 1.30923659E-02 2.19644698E-02 -9.27302076E-03 -7.31893150E-19 2.45805748E-01 -1.24894304E-01 7.18210317E-02 5.66862973E-18 8.73275212E-01 -5.54079767E-01 -8.41692936E-01 4.62980231E-03 -5.97877840E-02 -4.99258885E-02 -8.28780755E-18 1.46767858E-01 -2.35654374E-01 -2.66120591E-01 -4.41766048E-17 4.13604202E-01 -3.61043360E-02 -1.75477437E-01 -8.41692936E-01 1.30923659E-02 2.19644698E-02 9.27302076E-03 1.53934189E-18 2.45805748E-01 -1.24894304E-01 -7.18210317E-02 -1.19224496E-17 8.73275212E-01 -1.75477437E-01 -4.15362919E-01 -5.54079767E-01 -8.41692936E-01 Multipole Matrix (2,0,0) R N= 91 1.71624626E-02 1.72086514E-02 2.87776723E-01 -1.87363690E-18 -1.27835694E-17 5.19257961E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 1.73085987E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 1.73085987E-01 9.64068461E-03 3.16663334E-01 -1.24358883E-17 0.00000000E+00 0.00000000E+00 9.25906036E-01 -2.58183783E-19 -8.48044934E-18 5.34232956E-01 0.00000000E+00 0.00000000E+00 -2.47963638E-17 2.77771811E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 1.78077652E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 9.25906036E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 1.78077652E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 9.25906036E-01 2.43411948E-03 1.76393949E-01 -2.76114495E-01 -1.21974871E-17 -1.09882060E-01 7.11431573E-01 -1.27089982E+00 -6.30796169E-17 -5.68257889E-01 2.49128714E+00 4.12349779E-03 1.87154037E-01 -1.46593365E-01 -4.09237607E-18 -3.68665046E-02 1.00011292E+00 -1.48504242E+00 -4.53925412E-17 -4.08922421E-01 1.81795511E+00 3.73970448E+00 2.43411948E-03 1.76393949E-01 2.76114495E-01 2.56541584E-17 -1.09882060E-01 7.11431573E-01 1.27089982E+00 1.32671137E-16 -5.68257889E-01 1.85200447E-02 3.02976486E-01 2.49128714E+00 4.12349779E-03 1.87154037E-01 1.46593365E-01 8.60722075E-18 -3.68665046E-02 1.00011292E+00 1.48504242E+00 9.54710946E-17 -4.08922421E-01 3.02976486E-01 7.64961290E-01 1.81795511E+00 3.73970448E+00 Multipole Matrix (1,1,0) R N= 91 1.66015674E-34 3.87961873E-35 1.66015674E-34 -9.36818450E-19 -6.39178469E-18 1.66015674E-34 -9.36818450E-19 -6.39178469E-18 1.73085987E-01 1.66015674E-34 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 1.66015674E-34 2.77710621E-35 1.26776338E-34 -6.21794414E-18 -6.21794414E-18 0.00000000E+00 1.66015674E-34 -1.29091892E-19 -4.24022467E-18 8.32602874E-35 1.78077652E-01 0.00000000E+00 -1.23981819E-17 1.66015674E-34 -1.29091892E-19 -4.24022467E-18 1.78077652E-01 8.32602874E-35 0.00000000E+00 -1.23981819E-17 9.25906036E-01 1.66015674E-34 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 8.32602874E-35 0.00000000E+00 0.00000000E+00 0.00000000E+00 1.66015674E-34 8.77761724E-20 1.00828057E-17 -1.54240423E-17 -6.07867119E-02 -6.53617084E-18 4.50035357E-17 -7.26059162E-17 -2.35843359E-01 -3.63334341E-17 1.91883461E-16 3.03112553E-20 2.36922789E-18 -7.63578964E-18 -4.73716629E-02 -4.58460435E-19 2.13573505E-17 -5.87843774E-17 -4.54961489E-01 -8.73251338E-18 1.26315357E-16 1.91883461E-16 3.62598144E-20 1.49251358E-17 2.24276032E-17 6.07867119E-02 -9.79115999E-18 7.63632999E-17 1.23144838E-16 2.35843359E-01 -6.17774628E-17 3.00287119E-19 3.22107256E-17 3.44409978E-16 -1.36433772E-20 1.73081413E-18 5.06380718E-18 4.73716629E-02 -3.21449175E-19 2.98207716E-17 8.20792584E-17 4.54961489E-01 -1.21930052E-17 1.23300456E-17 0.00000000E+00 2.26722350E-16 3.44409978E-16 Multipole Matrix (0,2,0) R N= 91 1.71624626E-02 1.72086514E-02 2.87776723E-01 0.00000000E+00 0.00000000E+00 1.73085987E-01 -1.87363690E-18 -1.27835694E-17 0.00000000E+00 5.19257961E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 1.73085987E-01 9.64068461E-03 3.16663334E-01 0.00000000E+00 -1.24358883E-17 0.00000000E+00 9.25906036E-01 0.00000000E+00 0.00000000E+00 1.78077652E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 9.25906036E-01 -2.58183783E-19 -8.48044934E-18 0.00000000E+00 5.34232956E-01 0.00000000E+00 -2.47963638E-17 0.00000000E+00 2.77771811E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 1.78077652E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 9.25906036E-01 1.92770414E-03 7.42912796E-02 -6.07867119E-02 -1.72605157E-17 -4.32206734E-02 2.15913862E-01 -2.35843359E-01 -6.16256494E-17 -1.67689754E-01 3.01703015E-01 4.05544602E-03 1.70414345E-01 -4.73716629E-02 -1.77209078E-17 -3.36822820E-02 7.91162383E-01 -4.54961489E-01 -1.28914290E-16 -3.23487508E-01 3.76569287E-01 1.55012035E+00 1.92770414E-03 7.42912796E-02 6.07867119E-02 2.74048356E-17 -4.32206734E-02 2.15913862E-01 2.35843359E-01 1.11669239E-16 -1.67689754E-01 1.60680143E-02 1.21124987E-01 3.01703015E-01 4.05544602E-03 1.70414345E-01 4.73716629E-02 1.70872254E-17 -3.36822820E-02 7.91162383E-01 4.54961489E-01 2.05385989E-16 -3.23487508E-01 1.21124987E-01 7.64961290E-01 3.76569287E-01 1.55012035E+00 Multipole Matrix (1,0,1) R N= 91 -2.71124171E-18 -6.33589821E-19 -2.71124171E-18 1.52994063E-02 1.04385766E-01 -2.71124171E-18 0.00000000E+00 0.00000000E+00 0.00000000E+00 -2.71124171E-18 -9.36818450E-19 -6.39178469E-18 1.73085987E-01 0.00000000E+00 -2.71124171E-18 -4.53535862E-19 -2.07041472E-18 1.01546734E-01 0.00000000E+00 -6.21794414E-18 -2.71124171E-18 2.10823058E-03 6.92481240E-02 -1.35974368E-18 0.00000000E+00 1.78077652E-01 2.02477676E-01 -2.71124171E-18 0.00000000E+00 0.00000000E+00 0.00000000E+00 -1.35974368E-18 0.00000000E+00 0.00000000E+00 0.00000000E+00 -2.71124171E-18 -1.29091892E-19 -4.24022467E-18 1.78077652E-01 0.00000000E+00 -1.35974368E-18 -1.23981819E-17 9.25906036E-01 0.00000000E+00 -2.71124171E-18 -4.20662987E-04 3.95406260E-02 -5.71884143E-02 -2.95040929E-18 -8.73657153E-02 2.56071908E-01 -4.12681615E-01 -2.30631486E-17 -4.43609620E-01 1.24547353E+00 -3.58916812E-04 -5.21304395E-03 2.10018307E-02 1.24190673E-19 -4.62528811E-02 6.91090777E-02 -1.90217139E-01 -3.13668245E-18 -4.83218550E-01 8.19885319E-01 1.24547353E+00 4.20662987E-04 -3.95406260E-02 -5.71884143E-02 -6.20539844E-18 8.73657153E-02 -2.56071908E-01 -4.12681615E-01 -4.85071773E-17 4.43609620E-01 8.67361738E-19 -1.62338072E-01 -1.24547353E+00 3.58916812E-04 5.21304395E-03 2.10018307E-02 2.61201933E-19 4.62528811E-02 -6.91090777E-02 -1.90217139E-01 -6.59717432E-18 4.83218550E-01 1.62338072E-01 0.00000000E+00 -8.19885319E-01 -1.24547353E+00 Multipole Matrix (0,1,1) R N= 91 -2.71124171E-18 -6.33589821E-19 -2.71124171E-18 0.00000000E+00 0.00000000E+00 -2.71124171E-18 1.52994063E-02 1.04385766E-01 0.00000000E+00 -2.71124171E-18 -9.36818450E-19 -6.39178469E-18 0.00000000E+00 1.73085987E-01 -2.71124171E-18 -4.53535862E-19 -2.07041472E-18 0.00000000E+00 1.01546734E-01 -6.21794414E-18 -2.71124171E-18 0.00000000E+00 0.00000000E+00 -1.35974368E-18 0.00000000E+00 0.00000000E+00 0.00000000E+00 -2.71124171E-18 2.10823058E-03 6.92481240E-02 0.00000000E+00 -1.35974368E-18 1.78077652E-01 2.02477676E-01 0.00000000E+00 -2.71124171E-18 -1.29091892E-19 -4.24022467E-18 0.00000000E+00 1.78077652E-01 -1.35974368E-18 -1.23981819E-17 0.00000000E+00 9.25906036E-01 -2.71124171E-18 -9.28553791E-20 3.89117721E-18 -3.59368973E-18 -1.98069925E-02 -8.78658823E-18 2.32473648E-17 -2.64920345E-17 -1.20473584E-01 -4.03420143E-17 1.09146649E-16 -1.97019582E-19 -6.94456487E-19 2.43670829E-19 1.94283459E-02 -6.81774336E-18 7.06380942E-18 -4.06207540E-18 -1.50475653E-01 -4.93909608E-17 7.18503714E-17 1.09146649E-16 1.01773369E-20 -5.79348301E-18 -5.56211799E-18 -1.98069925E-02 1.26118405E-17 -3.94721636E-17 -4.50782914E-17 -1.20473584E-01 6.83110059E-17 -1.86077516E-18 -2.89245814E-17 -1.95906384E-16 -1.09110317E-19 5.82371029E-19 1.41721778E-19 1.94283459E-02 4.51094519E-18 -9.86303274E-18 -5.67178137E-18 -1.50475653E-01 6.89634493E-17 1.08367786E-17 -2.14073180E-17 -1.28963615E-16 -1.95906384E-16 Multipole Matrix (0,0,2) R N= 91 6.14404000E-02 2.75559585E-02 3.32054661E-01 0.00000000E+00 0.00000000E+00 2.17363924E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 2.17363924E-01 3.05988127E-02 2.08771531E-01 0.00000000E+00 0.00000000E+00 5.63535898E-01 1.70474873E-02 3.50475772E-01 0.00000000E+00 0.00000000E+00 2.03093468E-01 9.70183973E-01 0.00000000E+00 0.00000000E+00 2.00283951E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 9.70183973E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 2.00283951E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 9.70183973E-01 4.21646116E-03 1.38496248E-01 0.00000000E+00 0.00000000E+00 5.56439255E-01 4.04955353E-01 0.00000000E+00 0.00000000E+00 2.82199605E+00 2.60282158E-03 8.98247853E-02 -7.68601484E-02 -6.06635287E-18 -9.42632210E-02 3.48399399E-01 -3.87611664E-01 -3.05930860E-17 -5.16547486E-01 1.01015001E+00 6.55518634E-03 1.71329592E-01 -4.82041401E-02 -3.80461565E-18 4.58250054E-03 8.14019776E-01 -4.68105736E-01 -3.69462541E-17 -6.33784658E-01 8.42934313E-01 2.25856735E+00 2.60282158E-03 8.98247853E-02 7.68601484E-02 1.27589541E-17 -9.42632210E-02 3.48399399E-01 3.87611664E-01 6.43443908E-17 -5.16547486E-01 4.64567789E-02 2.68823106E-01 1.01015001E+00 6.55518634E-03 1.71329592E-01 4.82041401E-02 8.00199352E-18 4.58250054E-03 8.14019776E-01 4.68105736E-01 7.77065841E-17 -6.33784658E-01 2.68823106E-01 1.11456932E+00 8.42934313E-01 2.25856735E+00 Number of independent functions I 13 Alpha MO coefficients R N= 169 -9.95034683E-01 -2.79158288E-02 7.58651725E-16 8.75243351E-17 2.15161378E-03 1.31272678E-02 3.11821699E-16 2.21549076E-16 -2.55810707E-03 -6.13053944E-05 -3.08627826E-03 -6.13053944E-05 -3.08627826E-03 2.10137705E-01 -4.65316721E-01 -5.31622410E-16 1.69774725E-16 1.46491039E-01 -4.51757857E-01 3.14614581E-15 8.22804086E-17 6.73911474E-02 -1.49799077E-01 -4.27741646E-04 -1.49799077E-01 -4.27741646E-04 4.70441532E-16 6.63106880E-17 5.14234685E-01 -2.71489040E-16 -5.99625815E-16 -2.37798588E-15 2.30534545E-01 -1.06911713E-16 -1.66371003E-17 -2.68228693E-01 -1.45013138E-01 2.68228693E-01 1.45013138E-01 -8.69736512E-02 1.93722795E-01 1.35728107E-15 -2.46214174E-15 5.51935574E-01 3.59114023E-01 -1.80090262E-15 -2.05850907E-15 3.88666433E-01 -1.35930310E-01 -1.01559704E-01 -1.35930310E-01 -1.01559704E-01 -1.94358249E-16 6.50377493E-16 9.16941702E-17 6.45477090E-01 1.78409037E-15 1.14580614E-15 1.51831589E-16 5.05830409E-01 1.13315196E-15 -8.53152354E-16 1.11373278E-16 -4.23862180E-16 -3.61877536E-16 9.02469854E-02 -1.57410428E-01 -3.57382715E-15 -1.84347955E-16 2.80998470E-01 -1.10352129E+00 -8.15739024E-15 -2.58136491E-18 4.28393199E-01 1.04020779E-01 9.41131373E-01 1.04020779E-01 9.41131373E-01 -8.10058393E-16 4.19748178E-15 -4.16530891E-01 2.60680026E-16 -2.96071487E-15 6.37691571E-15 -7.65575670E-01 -1.13384451E-16 -3.73922814E-15 -8.90934745E-02 -1.27988481E+00 8.90934745E-02 1.27988481E+00 1.32128114E-15 -2.01624054E-15 2.40799484E-01 -4.03153161E-16 4.04753787E-14 2.13327447E-15 5.14705441E-01 6.35006369E-16 -2.13746759E-14 9.85488966E-01 -6.56842678E-01 -9.85488966E-01 6.56842678E-01 -4.25297322E-02 2.14512874E-01 1.51555518E-14 -5.46987857E-15 -6.67197413E-01 -2.28549659E-01 2.73523732E-14 5.78605110E-15 3.07384528E-01 -8.15499782E-01 6.07540555E-01 -8.15499782E-01 6.07540555E-01 5.14212977E-16 -1.60484507E-15 -1.90939682E-15 -9.58856424E-01 -6.27728964E-16 -1.50260180E-15 2.83924207E-15 1.03931800E+00 6.35302122E-15 8.36765646E-15 -1.78499717E-15 9.01456554E-15 -5.53544497E-15 -6.90810823E-02 3.83212669E-01 -1.27170830E-15 -6.22073407E-15 7.02351311E-01 1.52308551E-02 -4.34538132E-15 6.97172472E-15 -1.17522817E+00 -5.64070078E-01 8.68359407E-02 -5.64070078E-01 8.68359407E-02 -3.58023855E-17 5.78364036E-15 9.79282128E-01 -2.05623487E-15 -1.61281564E-15 -8.93553990E-15 -1.71826331E+00 2.12006350E-15 2.68558384E-15 -6.43487730E-02 -9.07122473E-01 6.43487730E-02 9.07122473E-01 5.90468032E-02 -1.68532998E+00 3.79947809E-15 -1.58102939E-15 1.65938500E-01 2.75533058E+00 -4.78610207E-15 1.98560973E-15 -7.75794111E-01 -4.09588812E-01 -6.39519298E-01 -4.09588812E-01 -6.39519298E-01 Alpha Orbital Energies R N= 13 -1.91302966E+01 -1.01217480E+00 -5.36815250E-01 -3.47183296E-01 -2.90213545E-01 5.73693743E-02 1.47929378E-01 8.34029745E-01 8.64729236E-01 8.90695571E-01 9.41891435E-01 1.07431765E+00 1.40826353E+00 Total SCF Density R N= 91 2.08363258E+00 -1.73704297E-01 5.09654931E-01 -1.48545806E-15 1.04645989E-15 5.28874623E-01 7.45479644E-17 -2.77223082E-16 -1.60845190E-16 8.33281346E-01 -3.87229835E-02 7.73954162E-02 7.29075445E-16 -3.64590717E-16 6.52194262E-01 -2.78453807E-01 5.58825197E-01 -9.70601054E-16 -4.40292252E-16 2.64115143E-01 6.66440736E-01 1.23186911E-15 -3.61249599E-15 2.37097719E-01 7.08324193E-17 -1.34132719E-15 -5.22428000E-15 1.06292353E-01 -2.44870123E-16 -2.28541185E-16 -1.71920224E-17 6.53003880E-01 -4.42374377E-16 -3.87836745E-16 1.04308383E-16 5.11728805E-01 -3.41938249E-02 8.80134632E-02 9.62413725E-16 -4.28621601E-16 4.48771051E-01 2.18195010E-01 -9.85122240E-16 -4.43824861E-16 3.11219414E-01 -3.91901557E-02 8.67458543E-02 -2.75864994E-01 -3.37253843E-16 -1.93938255E-01 3.77152497E-02 -1.23671959E-01 -2.70797904E-16 -1.25853047E-01 2.25726896E-01 2.36281751E-02 -3.87784767E-02 -1.49141571E-01 7.21940038E-16 -1.12247429E-01 -7.26375852E-02 -6.68610756E-02 5.60364416E-16 -7.89875577E-02 1.05531982E-01 6.27057834E-02 -3.91901557E-02 8.67458543E-02 2.75864994E-01 -7.43444990E-17 -1.93938255E-01 3.77152497E-02 1.23671959E-01 4.87909901E-17 -1.25853047E-01 -6.20596304E-02 -5.00547557E-02 2.25726896E-01 2.36281751E-02 -3.87784767E-02 1.49141571E-01 -4.64829877E-17 -1.12247429E-01 -7.26375852E-02 6.68610756E-02 1.95806996E-17 -7.89875577E-02 -5.00547557E-02 -2.14094573E-02 1.05531982E-01 6.27057834E-02 Pure Switching I 1 Dipole_Data R N= 3 7.13734856E-15 1.34942313E-15 -2.39011900E+00 Quadrupole_Data R N= 6 -4.09828074E+00 5.44748123E-16 -7.17014553E+00 3.69939754E-15 2.21667652E-15 -6.25620301E+00 Octapole_Data R N= 10 -4.63125811E-15 -1.81582184E-16 -1.76238483E-16 -3.65749500E-16 -1.15203189E+00 -1.45905771E-16 -3.77169677E-01 8.15943019E-16 3.25131827E-16 -1.29472320E+00 Hexadecapole_Data R N= 15 -5.92453231E+00 3.41754997E-16 -2.09548978E+00 1.60524012E-16 -5.16079593E+00 3.32910325E-15 4.56047386E-16 9.27931512E-16 1.48546978E-15 -1.78876960E+00 1.03175460E-16 -1.93285903E+00 3.18666252E-15 1.53725036E-15 -6.21297938E+00 Cartesian Forces R N= 9 -4.36036680E-15 -6.92299639E-17 1.57761806E-02 -1.11546263E-02 -9.35206259E-17 -7.88809060E-03 1.11546263E-02 1.62750590E-16 -7.88809060E-03 Current cartesian coordinates R N= 9 -3.83876642E-15 -1.35203519E-17 2.20804102E-01 -1.50212933E+00 5.18566504E-17 -8.46883370E-01 1.50212933E+00 5.18566504E-17 -8.46883370E-01 Orthonormalization Matrix R N= 91 1.52719167E+00 1.44214217E-17 2.61104276E-01 -5.76725709E-04 -6.97531004E-17 -5.32751074E-17 -2.15020135E-02 -5.97248175E-17 -3.12255488E-16 -6.28252031E-17 4.23509380E-16 1.44609807E-16 1.32236348E-16 2.02115538E-16 1.02016370E-16 3.11229005E-17 -3.70342394E-15 -3.12255488E-16 -4.96526861E-01 -2.56215400E-01 3.80242139E-16 8.05835470E-17 -6.65006597E-01 -2.56215400E-01 -6.65006597E-01 -4.42373757E-17 -5.97248175E-17 -3.15478119E-01 6.44907650E-17 4.43349408E-18 -3.61318498E-01 2.59575868E-16 9.54336307E-17 3.00002364E-02 -4.53397351E-02 -4.07273031E-02 1.11622601E+00 -3.70342394E-15 1.71008738E+00 -6.28252031E-17 1.78145984E-15 -1.60463817E-16 -5.90479633E-17 5.94446481E-02 2.59314896E+00 -1.09558425E-01 -5.90479633E-17 -3.00142981E-01 2.51894899E-16 -2.33703015E-16 3.20510063E-02 1.13743703E+00 -3.61318498E-01 -1.06278998E-01 1.20695562E-02 1.11065728E-02 -1.17573064E-16 4.23509380E-16 3.27455079E-17 1.06278998E-01 8.05835470E-17 -9.50175397E-01 -5.32751074E-17 3.20510063E-02 -5.76725709E-04 -1.09558425E-01 5.60104720E-03 3.80242139E-16 2.59575868E-16 -7.22421715E-17 3.25661806E-17 1.31162081E-01 -9.50111654E-17 -1.60463817E-16 4.82274872E-02 1.20695562E-02 -4.42373757E-17 5.60104720E-03 -6.97531004E-17 1.31162081E-01 6.44907650E-17 1.99689596E-16 -4.82274872E-02 -9.50111654E-17 -2.15020135E-02 4.43349408E-18 1.16306149E-01 -4.07273031E-02 -1.17573064E-16 3.11229005E-17 1.02262996E+00 Overlap Matrix R N= 91 1.00000000E+00 2.33689906E-01 1.00000000E+00 1.17398148E-31 0.00000000E+00 1.00000000E+00 6.35531145E-34 3.75207585E-33 0.00000000E+00 1.00000000E+00 7.88095086E-19 8.65397961E-18 0.00000000E+00 -4.25734072E-50 1.00000000E+00 1.67279760E-01 7.63640773E-01 0.00000000E+00 8.36018379E-34 -2.04579428E-18 1.00000000E+00 -3.76322040E-32 0.00000000E+00 5.01520641E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 1.00000000E+00 -9.57414500E-35 -1.09601194E-34 0.00000000E+00 5.01520641E-01 -3.27573661E-51 0.00000000E+00 0.00000000E+00 1.00000000E+00 2.73826797E-18 4.21493770E-19 0.00000000E+00 -3.27573661E-51 5.01520641E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 1.00000000E+00 3.25292941E-02 2.36827524E-01 -2.25939453E-01 9.83353689E-18 -1.60593845E-01 4.17472036E-01 -4.73141354E-01 2.05924768E-17 -3.36300668E-01 1.00000000E+00 6.76824181E-02 3.74038656E-01 -1.20585510E-01 5.24822931E-18 -8.57100891E-02 6.75587526E-01 -3.94382046E-01 1.71646445E-17 -2.80319918E-01 6.58292049E-01 1.00000000E+00 3.25292941E-02 2.36827524E-01 2.25939453E-01 9.83353689E-18 -1.60593845E-01 4.17472036E-01 4.73141354E-01 2.05924768E-17 -3.36300668E-01 3.92445897E-02 2.01306803E-01 1.00000000E+00 6.76824181E-02 3.74038656E-01 1.20585510E-01 5.24822931E-18 -8.57100891E-02 6.75587526E-01 3.94382046E-01 1.71646445E-17 -2.80319918E-01 2.01306803E-01 4.82964542E-01 6.58292049E-01 1.00000000E+00 Kinetic Energy Matrix R N= 91 2.95401398E+01 -2.18540273E+00 1.71121096E+00 0.00000000E+00 0.00000000E+00 4.25187706E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 4.25187706E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 4.25187706E+00 1.31282499E-01 4.80047821E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 4.05008700E-01 0.00000000E+00 0.00000000E+00 5.47243224E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 6.75014500E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 5.47243224E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 6.75014500E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 5.47243224E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 6.75014500E-01 -2.29828724E-02 1.07216101E-02 -1.66607520E-01 7.25123996E-18 -1.18421735E-01 1.35647146E-01 -3.40769364E-01 1.48312659E-17 -2.42212953E-01 1.39567828E+00 2.06153585E-02 1.06481499E-01 -6.86420641E-02 2.98750068E-18 -4.87895887E-02 1.57855053E-01 -1.71789830E-01 7.47678905E-18 -1.22105231E-01 2.59735083E-01 2.41916700E-01 -2.29828724E-02 1.07216101E-02 1.66607520E-01 7.25123996E-18 -1.18421735E-01 1.35647146E-01 3.40769364E-01 1.48312659E-17 -2.42212953E-01 -4.08626642E-02 1.65630404E-02 1.39567828E+00 2.06153585E-02 1.06481499E-01 6.86420641E-02 2.98750068E-18 -4.87895887E-02 1.57855053E-01 1.71789830E-01 7.47678905E-18 -1.22105231E-01 1.65630404E-02 6.01468467E-02 2.59735083E-01 2.41916700E-01 Nuclear Attraction Matrix R N= 91 -6.25664359E+01 -5.17745199E+00 -1.16161302E+01 1.66533454E-16 1.08246745E-15 -1.27749368E+01 -1.51885883E-18 -1.03353972E-17 4.66075047E-32 -1.26661295E+01 2.48048471E-02 1.68789845E-01 -6.66133815E-16 3.36598712E-18 -1.27211002E+01 -5.49993968E+00 -7.85593560E+00 9.43689571E-16 -9.78960124E-18 1.59876321E-01 -7.65860452E+00 2.16840434E-17 6.38378239E-16 -4.36522390E+00 3.62074830E-32 -5.06539255E-16 4.16333634E-16 -5.47717890E+00 -2.09296005E-19 -6.64071028E-18 3.62074830E-32 -4.26487941E+00 3.10418812E-18 -1.40787912E-17 3.00445071E-32 -5.24020196E+00 3.41806315E-03 1.08451029E-01 -5.06539255E-16 3.10418812E-18 -4.31557465E+00 2.29924109E-01 -3.05311332E-16 7.33095557E-18 -5.35992555E+00 -1.02670993E+00 -2.24943666E+00 1.94403982E+00 -8.59948861E-17 1.40440307E+00 -2.94672775E+00 2.83854798E+00 -1.25194469E-16 2.04458084E+00 -6.31786459E+00 -2.19650257E+00 -3.66583364E+00 9.98649033E-01 -4.78485824E-17 7.81426651E-01 -4.46465274E+00 1.91042762E+00 -9.09122194E-17 1.48470922E+00 -3.76919308E+00 -4.70678922E+00 -1.02670993E+00 -2.24943666E+00 -1.94403982E+00 -8.59948861E-17 1.40440307E+00 -2.94672775E+00 -2.83854798E+00 -1.25194469E-16 2.04458084E+00 -3.18382004E-01 -1.34118369E+00 -6.31786459E+00 -2.19650257E+00 -3.66583364E+00 -9.98649033E-01 -4.78485824E-17 7.81426651E-01 -4.46465274E+00 -1.91042762E+00 -9.09122194E-17 1.48470922E+00 -1.34118369E+00 -2.69999531E+00 -3.76919308E+00 -4.70678922E+00 Core Hamiltonian Matrix R N= 91 -3.30262961E+01 -7.36285472E+00 -9.90491921E+00 1.66533454E-16 1.08246745E-15 -8.52305972E+00 -1.51885883E-18 -1.03353972E-17 4.66075047E-32 -8.41425244E+00 2.48048472E-02 1.68789845E-01 -6.66133815E-16 3.36598712E-18 -8.46922319E+00 -5.36865718E+00 -7.37588778E+00 9.43689571E-16 -9.78960124E-18 1.59876321E-01 -7.25359582E+00 2.16840435E-17 6.38378239E-16 -3.81798067E+00 3.62074830E-32 -5.06539255E-16 4.16333635E-16 -4.80216440E+00 -2.09296005E-19 -6.64071028E-18 3.62074830E-32 -3.71763618E+00 3.10418812E-18 -1.40787912E-17 3.00445071E-32 -4.56518746E+00 3.41806316E-03 1.08451029E-01 -5.06539255E-16 3.10418812E-18 -3.76833142E+00 2.29924109E-01 -3.05311332E-16 7.33095557E-18 -4.68491105E+00 -1.04969280E+00 -2.23871505E+00 1.77743230E+00 -7.87436461E-17 1.28598133E+00 -2.81108060E+00 2.49777862E+00 -1.10363203E-16 1.80236789E+00 -4.92218631E+00 -2.17588721E+00 -3.55935214E+00 9.30006969E-01 -4.48610817E-17 7.32637063E-01 -4.30679769E+00 1.73863779E+00 -8.34354304E-17 1.36260398E+00 -3.50945800E+00 -4.46487252E+00 -1.04969280E+00 -2.23871505E+00 -1.77743230E+00 -7.87436461E-17 1.28598133E+00 -2.81108060E+00 -2.49777862E+00 -1.10363203E-16 1.80236789E+00 -3.59244668E-01 -1.32462065E+00 -4.92218631E+00 -2.17588721E+00 -3.55935214E+00 -9.30006969E-01 -4.48610817E-17 7.32637063E-01 -4.30679769E+00 -1.73863779E+00 -8.34354304E-17 1.36260398E+00 -1.32462065E+00 -2.63984846E+00 -3.50945800E+00 -4.46487252E+00 Multipole Matrix (1,0,0) R N= 91 -3.83876642E-15 -8.97080965E-16 -3.83876642E-15 7.27077806E-02 4.96075284E-01 -3.83876642E-15 0.00000000E+00 0.00000000E+00 0.00000000E+00 -3.83876642E-15 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 -3.83876642E-15 -6.42147925E-16 -2.93143856E-15 4.82583279E-01 0.00000000E+00 0.00000000E+00 -3.83876642E-15 1.00190010E-02 3.29089724E-01 -1.92522060E-15 0.00000000E+00 0.00000000E+00 9.62240114E-01 -3.83876642E-15 0.00000000E+00 0.00000000E+00 0.00000000E+00 -1.92522060E-15 0.00000000E+00 0.00000000E+00 0.00000000E+00 -3.83876642E-15 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 -1.92522060E-15 0.00000000E+00 0.00000000E+00 0.00000000E+00 -3.83876642E-15 -3.54407357E-03 -1.52678248E-01 2.43359273E-01 -5.94840495E-18 9.71448251E-02 -4.55275590E-01 7.40339046E-01 -2.26409072E-17 3.69754074E-01 -1.50212933E+00 -1.93430652E-03 -8.14327458E-02 2.71853547E-01 -1.00004426E-18 1.63319622E-02 -3.79490225E-01 1.03549587E+00 -9.64170380E-18 1.57460972E-01 -9.88839792E-01 -1.50212933E+00 3.54407357E-03 1.52678248E-01 2.43359273E-01 5.94840495E-18 -9.71448251E-02 4.55275590E-01 7.40339046E-01 2.26409072E-17 -3.69754074E-01 6.89270088E-17 1.89004487E-01 1.50212933E+00 1.93430652E-03 8.14327458E-02 2.71853547E-01 1.00004426E-18 -1.63319622E-02 3.79490225E-01 1.03549587E+00 9.64170380E-18 -1.57460972E-01 -1.89004487E-01 8.57917367E-16 9.88839792E-01 1.50212933E+00 Multipole Matrix (0,1,0) R N= 91 -1.35203519E-17 -3.15956976E-18 -1.35203519E-17 0.00000000E+00 0.00000000E+00 -1.35203519E-17 7.27077806E-02 4.96075284E-01 0.00000000E+00 -1.35203519E-17 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 -1.35203519E-17 -2.26168121E-18 -1.03246920E-17 0.00000000E+00 4.82583279E-01 0.00000000E+00 -1.35203519E-17 0.00000000E+00 0.00000000E+00 -6.78073553E-18 0.00000000E+00 0.00000000E+00 0.00000000E+00 -1.35203519E-17 1.00190010E-02 3.29089724E-01 0.00000000E+00 -6.78073553E-18 0.00000000E+00 9.62240114E-01 0.00000000E+00 -1.35203519E-17 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 -6.78073553E-18 0.00000000E+00 0.00000000E+00 0.00000000E+00 -1.35203519E-17 -2.85559195E-19 3.44300644E-18 -2.89362405E-18 1.06686235E-01 -2.05673779E-18 1.41705384E-17 -1.62438696E-17 2.20132101E-01 -1.15458608E-17 5.18566504E-17 -8.30903507E-19 -1.51294618E-18 6.30314265E-19 2.48876112E-01 4.48016448E-19 7.38232844E-18 -4.30951977E-18 8.13964051E-01 -3.06313191E-18 3.41368207E-17 5.18566504E-17 -2.85559195E-19 3.44300644E-18 2.89362405E-18 1.06686235E-01 -2.05673779E-18 1.41705384E-17 1.62438696E-17 2.20132101E-01 -1.15458608E-17 2.03509297E-18 1.04390965E-17 5.18566504E-17 -8.30903507E-19 -1.51294618E-18 -6.30314265E-19 2.48876112E-01 4.48016448E-19 7.38232844E-18 4.30951977E-18 8.13964051E-01 -3.06313191E-18 1.04390965E-17 2.50449234E-17 3.41368207E-17 5.18566504E-17 Multipole Matrix (0,0,1) R N= 91 2.20804102E-01 5.15996899E-02 2.20804102E-01 0.00000000E+00 0.00000000E+00 2.20804102E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 2.20804102E-01 7.27077806E-02 4.96075284E-01 0.00000000E+00 0.00000000E+00 2.20804102E-01 3.69360572E-02 1.68615015E-01 0.00000000E+00 0.00000000E+00 4.82583279E-01 2.20804102E-01 0.00000000E+00 0.00000000E+00 1.10737815E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 2.20804102E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 1.10737815E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 2.20804102E-01 1.00190010E-02 3.29089724E-01 0.00000000E+00 0.00000000E+00 1.10737815E-01 9.62240114E-01 0.00000000E+00 0.00000000E+00 2.20804102E-01 4.66353556E-03 -5.62285622E-02 4.72564669E-02 -2.05673779E-18 1.40275312E-01 -2.31422455E-01 2.65282522E-01 -1.15458608E-17 4.08690317E-01 -8.46883370E-01 1.35696841E-02 2.47082862E-02 -1.02938131E-02 4.48016448E-19 2.41559448E-01 -1.20562573E-01 7.03797988E-02 -3.06313191E-18 8.63988792E-01 -5.57496589E-01 -8.46883370E-01 4.66353556E-03 -5.62285622E-02 -4.72564669E-02 -2.05673779E-18 1.40275312E-01 -2.31422455E-01 -2.65282522E-01 -1.15458608E-17 4.08690317E-01 -3.32355904E-02 -1.70483384E-01 -8.46883370E-01 1.35696841E-02 2.47082862E-02 1.02938131E-02 4.48016448E-19 2.41559448E-01 -1.20562573E-01 -7.03797988E-02 -3.06313191E-18 8.63988792E-01 -1.70483384E-01 -4.09014639E-01 -5.57496589E-01 -8.46883370E-01 Multipole Matrix (2,0,0) R N= 91 1.71624626E-02 1.72086514E-02 2.87776723E-01 -5.58216374E-16 -3.80863429E-15 5.19257961E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 1.73085987E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 1.73085987E-01 9.64068461E-03 3.16663334E-01 -3.70504897E-15 0.00000000E+00 0.00000000E+00 9.25906036E-01 -7.69212089E-17 -2.52659717E-15 5.34232956E-01 0.00000000E+00 0.00000000E+00 -7.38763008E-15 2.77771811E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 1.78077652E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 9.25906036E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 1.78077652E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 9.25906036E-01 2.30572182E-03 1.71758726E-01 -2.70559284E-01 6.62513364E-18 -1.08196643E-01 7.12383928E-01 -1.28217655E+00 3.53602584E-17 -5.77476844E-01 2.55809553E+00 4.06124703E-03 1.85081494E-01 -1.46889399E-01 2.26507310E-18 -3.69914510E-02 9.96395661E-01 -1.49609536E+00 2.53154131E-17 -4.13432071E-01 1.86193454E+00 3.80651286E+00 2.30572182E-03 1.71758726E-01 2.70559284E-01 6.62513364E-18 -1.08196643E-01 7.12383928E-01 1.28217655E+00 3.53602584E-17 -5.77476844E-01 1.69275870E-02 2.97848345E-01 2.55809553E+00 4.06124703E-03 1.85081494E-01 1.46889399E-01 2.26507310E-18 -3.69914510E-02 9.96395661E-01 1.49609536E+00 2.53154131E-17 -4.13432071E-01 2.97848345E-01 7.48653165E-01 1.86193454E+00 3.80651286E+00 Multipole Matrix (1,1,0) R N= 91 5.19014728E-32 1.21288503E-32 5.19014728E-32 -9.83034777E-19 -6.70711239E-18 5.19014728E-32 -2.79108187E-16 -1.90431715E-15 1.73085987E-01 5.19014728E-32 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 5.19014728E-32 8.68206589E-33 3.96340808E-32 -6.52469573E-18 -1.85252449E-15 0.00000000E+00 5.19014728E-32 -1.35460418E-19 -4.44940887E-18 2.60296599E-32 1.78077652E-01 0.00000000E+00 -1.30098249E-17 5.19014728E-32 -3.84606045E-17 -1.26329858E-15 1.78077652E-01 2.60296599E-32 0.00000000E+00 -3.69381504E-15 9.25906036E-01 5.19014728E-32 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2.60296599E-32 0.00000000E+00 0.00000000E+00 0.00000000E+00 5.19014728E-32 2.66667556E-20 -2.30451599E-18 3.33483064E-18 -5.91687222E-02 1.56519499E-18 -1.56305029E-17 2.53506140E-17 -2.34862237E-01 1.28687166E-17 -7.78953953E-17 2.31478170E-20 3.60558995E-19 -1.41048250E-18 -4.74230664E-02 -7.78865510E-20 -4.14679279E-18 1.13151447E-17 -4.57218923E-01 1.72061883E-18 -5.12779194E-17 -7.78953953E-17 -2.66667556E-20 2.30451599E-18 3.33483064E-18 5.91687222E-02 -1.56519499E-18 1.56305029E-17 2.53506140E-17 2.34862237E-01 -1.28687166E-17 3.56292877E-33 9.80113960E-18 7.78953953E-17 -2.31478170E-20 -3.60558995E-19 -1.41048250E-18 4.74230664E-02 7.78865510E-20 4.14679279E-18 1.13151447E-17 4.57218923E-01 -1.72061883E-18 -9.80113960E-18 4.44887210E-32 5.12779194E-17 7.78953953E-17 Multipole Matrix (0,2,0) R N= 91 1.71624626E-02 1.72086514E-02 2.87776723E-01 0.00000000E+00 0.00000000E+00 1.73085987E-01 -1.96606955E-18 -1.34142248E-17 0.00000000E+00 5.19257961E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 1.73085987E-01 9.64068461E-03 3.16663334E-01 0.00000000E+00 -1.30493915E-17 0.00000000E+00 9.25906036E-01 0.00000000E+00 0.00000000E+00 1.78077652E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 9.25906036E-01 -2.70920836E-19 -8.89881773E-18 0.00000000E+00 5.34232956E-01 0.00000000E+00 -2.60196498E-17 0.00000000E+00 2.77771811E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 1.78077652E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 9.25906036E-01 1.81746453E-03 7.13798201E-02 -5.91687222E-02 4.84070965E-18 -4.20561016E-02 2.11819938E-01 -2.34862237E-01 2.47131197E-17 -1.66936005E-01 3.01703015E-01 3.99221006E-03 1.68068827E-01 -4.74230664E-02 -5.37819182E-19 -3.37074931E-02 7.83228861E-01 -4.57218923E-01 3.76882994E-17 -3.24983281E-01 3.76569287E-01 1.55012035E+00 1.81746453E-03 7.13798201E-02 5.91687222E-02 4.84070965E-18 -4.20561016E-02 2.11819938E-01 2.34862237E-01 2.47131197E-17 -1.66936005E-01 1.47319353E-02 1.17006845E-01 3.01703015E-01 3.99221006E-03 1.68068827E-01 4.74230664E-02 -5.37819182E-19 -3.37074931E-02 7.83228861E-01 4.57218923E-01 3.76882994E-17 -3.24983281E-01 1.17006845E-01 7.48653165E-01 3.76569287E-01 1.55012035E+00 Multipole Matrix (1,0,1) R N= 91 -8.47615374E-16 -1.98079157E-16 -8.47615374E-16 1.60541762E-02 1.09535458E-01 -8.47615374E-16 0.00000000E+00 0.00000000E+00 0.00000000E+00 -8.47615374E-16 -2.79108187E-16 -1.90431715E-15 1.73085987E-01 0.00000000E+00 -8.47615374E-16 -1.41788896E-16 -6.47273660E-16 1.06556368E-01 0.00000000E+00 -1.85252449E-15 -8.47615374E-16 2.21223651E-03 7.26643612E-02 -4.25096606E-16 0.00000000E+00 1.78077652E-01 2.12466565E-01 -8.47615374E-16 0.00000000E+00 0.00000000E+00 0.00000000E+00 -4.25096606E-16 0.00000000E+00 0.00000000E+00 0.00000000E+00 -8.47615374E-16 -3.84606045E-17 -1.26329858E-15 1.78077652E-01 0.00000000E+00 -4.25096606E-16 -3.69381504E-15 9.25906036E-01 0.00000000E+00 -8.47615374E-16 -4.35501169E-04 3.76356021E-02 -5.44619174E-02 1.56519499E-18 -8.47302963E-02 2.55265484E-01 -4.14006946E-01 1.28687166E-17 -4.45024329E-01 1.27212835E+00 -3.78032540E-04 -5.88837525E-03 2.30349274E-02 -7.78865510E-20 -4.61510824E-02 6.77222656E-02 -1.84790336E-01 1.72061883E-18 -4.85318761E-01 8.37431975E-01 1.27212835E+00 4.35501169E-04 -3.76356021E-02 -5.44619174E-02 -1.56519499E-18 8.47302963E-02 -2.55265484E-01 -4.14006946E-01 -1.28687166E-17 4.45024329E-01 -5.99885697E-17 -1.60064757E-01 -1.27212835E+00 3.78032540E-04 5.88837525E-03 2.30349274E-02 7.78865510E-20 4.61510824E-02 -6.77222656E-02 -1.84790336E-01 -1.72061883E-18 4.85318761E-01 1.60064757E-01 -7.26555951E-16 -8.37431975E-01 -1.27212835E+00 Multipole Matrix (0,1,1) R N= 91 -2.98534916E-18 -6.97645964E-19 -2.98534916E-18 0.00000000E+00 0.00000000E+00 -2.98534916E-18 1.60541762E-02 1.09535458E-01 0.00000000E+00 -2.98534916E-18 -9.83034777E-19 -6.70711239E-18 0.00000000E+00 1.73085987E-01 -2.98534916E-18 -4.99388489E-19 -2.27973434E-18 0.00000000E+00 1.06556368E-01 -6.52469573E-18 -2.98534916E-18 0.00000000E+00 0.00000000E+00 -1.49721422E-18 0.00000000E+00 0.00000000E+00 0.00000000E+00 -2.98534916E-18 2.21223651E-03 7.26643612E-02 0.00000000E+00 -1.49721422E-18 1.78077652E-01 2.12466565E-01 0.00000000E+00 -2.98534916E-18 -1.35460418E-19 -4.44940887E-18 0.00000000E+00 1.78077652E-01 -1.49721422E-18 -1.30098249E-17 0.00000000E+00 9.25906036E-01 -2.98534916E-18 -4.40983743E-20 -8.77780047E-19 9.26270930E-19 -1.84993432E-02 1.79113539E-18 -7.98097737E-18 9.28200360E-18 -1.18329934E-01 1.38431059E-17 -4.39165348E-17 -1.67013836E-19 -7.77856431E-20 6.12894246E-20 2.12453734E-02 -1.25734047E-18 -1.31741999E-18 7.69059183E-19 -1.45256679E-01 9.44104026E-18 -2.89099057E-17 -4.39165348E-17 -4.40983743E-20 -8.77780047E-19 -9.26270930E-19 -1.84993432E-02 1.79113539E-18 -7.98097737E-18 -9.28200360E-18 -1.18329934E-01 1.38431059E-17 -1.72348639E-18 -8.84069725E-18 -4.39165348E-17 -1.67013836E-19 -7.77856431E-20 -6.12894246E-20 2.12453734E-02 -1.25734047E-18 -1.31741999E-18 -7.69059183E-19 -1.45256679E-01 9.44104026E-18 -8.84069725E-18 -2.12101291E-17 -2.89099057E-17 -4.39165348E-17 Multipole Matrix (0,0,2) R N= 91 6.59169142E-02 2.86020747E-02 3.36531175E-01 0.00000000E+00 0.00000000E+00 2.21840439E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 2.21840439E-01 3.21083525E-02 2.19070916E-01 0.00000000E+00 0.00000000E+00 5.68012412E-01 1.77963176E-02 3.53894221E-01 0.00000000E+00 0.00000000E+00 2.13112735E-01 9.74660488E-01 0.00000000E+00 0.00000000E+00 2.02529016E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 9.74660488E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 2.02529016E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 9.74660488E-01 4.42447302E-03 1.45328722E-01 0.00000000E+00 0.00000000E+00 5.58684320E-01 4.24933129E-01 0.00000000E+00 0.00000000E+00 2.82647256E+00 2.53764564E-03 8.57150561E-02 -7.42958745E-02 3.23357082E-18 -8.98069055E-02 3.42159189E-01 -3.86448860E-01 1.68193694E-17 -5.11341015E-01 1.01891446E+00 6.71975300E-03 1.69339163E-01 -4.84239986E-02 2.10755214E-18 8.07180850E-03 8.04743962E-01 -4.69778612E-01 2.04461206E-17 -6.24423848E-01 8.48703877E-01 2.26733179E+00 2.53764564E-03 8.57150561E-02 7.42958745E-02 3.23357082E-18 -8.98069055E-02 3.42159189E-01 3.86448860E-01 1.68193694E-17 -5.11341015E-01 4.28786041E-02 2.61386388E-01 1.01891446E+00 6.71975300E-03 1.69339163E-01 4.84239986E-02 2.10755214E-18 8.07180850E-03 8.04743962E-01 4.69778612E-01 2.04461206E-17 -6.24423848E-01 2.61386388E-01 1.09504086E+00 8.48703877E-01 2.26733179E+00 Number of independent functions I 13 Alpha MO coefficients R N= 169 9.95041449E-01 2.78507713E-02 -5.62044673E-16 1.20968818E-16 -2.12513182E-03 -1.29903867E-02 5.19820222E-19 -2.49492193E-16 2.54612994E-03 1.04058670E-04 3.01451322E-03 1.04058670E-04 3.01451322E-03 2.10528368E-01 -4.66120100E-01 2.46770697E-15 7.95957865E-17 1.43562283E-01 -4.57468199E-01 7.55064580E-16 9.03030580E-17 6.83032623E-02 -1.46264429E-01 -1.08906768E-03 -1.46264429E-01 -1.08906768E-03 -3.09199627E-15 7.86293393E-15 5.12223356E-01 -1.36041559E-16 1.12116728E-14 9.41213619E-15 2.34569894E-01 -8.06549180E-17 7.47133598E-15 -2.65868598E-01 -1.47465150E-01 2.65868598E-01 1.47465150E-01 -8.66308311E-02 1.93112913E-01 -1.06265061E-14 1.09913472E-15 5.50407658E-01 3.57591120E-01 -7.05970951E-15 4.94842239E-16 3.87643031E-01 -1.37525539E-01 -1.05894584E-01 -1.37525539E-01 -1.05894584E-01 3.03578148E-16 -6.75761601E-16 4.65719162E-16 6.45779438E-01 -5.26125087E-16 -1.08058672E-15 1.85170889E-16 5.05502629E-01 -2.24837266E-16 5.62232707E-16 1.20313155E-15 2.47859626E-16 3.85946727E-16 8.98530957E-02 -1.57783944E-01 1.07177573E-14 -1.94589448E-16 2.87618346E-01 -1.07696101E+00 3.52801167E-14 -8.61427711E-17 4.31300250E-01 1.09233008E-01 9.27338557E-01 1.09233008E-01 9.27338557E-01 3.97390838E-15 -1.13600911E-14 -4.21661918E-01 1.02523701E-16 1.58479246E-14 -2.95816961E-14 -7.58996652E-01 -9.85630970E-17 1.08413799E-14 -9.46939945E-02 -1.24910913E+00 9.46939945E-02 1.24910913E+00 1.84194129E-15 -8.23578871E-15 2.60613495E-01 -2.94197716E-15 2.20454547E-14 -3.81357433E-16 4.32544398E-01 3.50826605E-15 -8.42390801E-15 9.78113443E-01 -7.08174940E-01 -9.78113443E-01 7.08174940E-01 -4.45520410E-02 2.29293353E-01 1.83415849E-15 -3.40715683E-16 -6.18132314E-01 -2.56878425E-01 3.93357136E-15 3.40491389E-16 2.54217490E-01 -8.37739870E-01 6.27265104E-01 -8.37739870E-01 6.27265104E-01 -4.18357467E-16 2.25724593E-15 -2.61636238E-15 -9.58652822E-01 6.31703140E-15 9.05504679E-16 1.30000195E-15 1.03947747E+00 -1.01693676E-14 -7.50424885E-15 4.31126610E-15 -7.94469104E-16 -3.73200981E-15 -6.58403002E-02 3.80274286E-01 7.86104876E-15 8.51927962E-15 7.42804231E-01 -1.67968934E-02 -1.97931322E-14 -8.96883429E-15 -1.17647089E+00 -5.09338686E-01 6.71963389E-02 -5.09338686E-01 6.71963389E-02 1.65495330E-15 -1.99322985E-14 9.71321445E-01 -1.98940981E-15 -5.05358650E-15 2.40324633E-14 -1.72143806E+00 2.14697329E-15 5.00265544E-15 -1.00754138E-01 -8.60125050E-01 1.00754138E-01 8.60125050E-01 -5.98631442E-02 1.67934087E+00 8.19700210E-15 -4.31171920E-16 -1.75508681E-01 -2.70764018E+00 -1.26513383E-14 7.47495150E-16 7.73111974E-01 4.08896973E-01 6.19650140E-01 4.08896973E-01 6.19650140E-01 Alpha Orbital Energies R N= 13 -1.91327768E+01 -1.00568246E+00 -5.31058220E-01 -3.46829379E-01 -2.89265965E-01 5.30685047E-02 1.42964121E-01 8.26721826E-01 8.49163344E-01 8.90812439E-01 9.42334142E-01 1.07272090E+00 1.40616876E+00 Total SCF Density R N= 91 2.08386916E+00 -1.74296729E-01 5.10672420E-01 -1.40589014E-15 1.61912330E-15 5.24745533E-01 4.75903461E-16 -5.15735921E-16 4.62136390E-16 8.34062165E-01 -3.91458676E-02 7.86287480E-02 4.98868707E-16 5.52762562E-16 6.47126471E-01 -2.80428845E-01 5.63857586E-01 -2.00849059E-16 -6.85527681E-16 2.62346636E-01 6.74634625E-01 9.15580461E-17 2.58300413E-16 2.40304356E-01 1.75336597E-16 -2.29479920E-15 -1.32422086E-15 1.10046070E-01 -2.37305521E-16 -5.90158920E-16 3.88217856E-16 6.52886407E-01 3.98033204E-17 -8.14716026E-16 1.49370311E-16 5.11065816E-01 -3.33371175E-02 8.61845267E-02 -2.50353727E-16 5.73242569E-16 4.46324109E-01 2.14676120E-01 -1.86504402E-15 1.67398141E-16 3.09877876E-01 -3.75506341E-02 8.32434611E-02 -2.72368212E-01 4.72917921E-16 -1.93386773E-01 3.54641226E-02 -1.24729538E-01 4.48732377E-16 -1.26601779E-01 2.21985359E-01 2.38880435E-02 -3.97160374E-02 -1.51070188E-01 1.36180913E-15 -1.16895890E-01 -7.48158172E-02 -6.91817690E-02 1.13365679E-15 -8.22320178E-02 1.07858336E-01 6.59398131E-02 -3.75506341E-02 8.32434611E-02 2.72368212E-01 -7.77901357E-17 -1.93386773E-01 3.54641226E-02 1.24729538E-01 4.51250996E-17 -1.26601779E-01 -6.07590875E-02 -4.89670747E-02 2.21985359E-01 2.38880435E-02 -3.97160374E-02 1.51070188E-01 2.26121270E-16 -1.16895890E-01 -7.48158172E-02 6.91817690E-02 2.59903478E-16 -8.22320178E-02 -4.89670747E-02 -2.10440683E-02 1.07858336E-01 6.59398131E-02 Pure Switching I 1 Dipole_Data R N= 3 2.09850499E-14 -6.38809166E-16 -2.38528679E+00 Quadrupole_Data R N= 6 -4.07499263E+00 7.05019830E-16 -7.20070144E+00 -6.87221398E-15 5.41212528E-16 -6.28244907E+00 Octapole_Data R N= 10 3.26992904E-14 -1.45029540E-15 7.02724391E-15 -2.34866299E-15 -1.20005257E+00 -2.77843880E-16 -3.92362623E-01 1.47043742E-14 -9.84738914E-16 -1.34018472E+00 Hexadecapole_Data R N= 15 -6.05443401E+00 1.00709562E-15 -2.13865431E+00 8.19262834E-16 -5.19545257E+00 1.04297480E-15 2.84419594E-16 4.35098582E-15 6.58484909E-16 -1.82117030E+00 2.93428548E-16 -1.95858983E+00 9.50176888E-15 6.36206448E-16 -6.32328373E+00 Cartesian Forces R N= 9 1.97188016E-15 -2.11324403E-16 1.92880658E-03 8.64365207E-04 2.72256983E-16 -9.64403572E-04 -8.64365207E-04 -6.09325806E-17 -9.64403572E-04 Current cartesian coordinates R N= 9 -1.00841653E-15 -1.38956438E-17 2.26933085E-01 -1.49643570E+00 5.20442964E-17 -8.49947861E-01 1.49643570E+00 5.20442964E-17 -8.49947861E-01 Orthonormalization Matrix R N= 91 1.52730447E+00 -7.93412422E-17 2.58275232E-01 -5.84181442E-04 1.30905416E-16 -1.49776107E-16 -2.16726739E-02 1.62130070E-18 2.23263303E-16 -3.65405859E-17 2.70227625E-17 -4.83789940E-17 -1.00687253E-16 -9.44028641E-17 1.36879503E-16 -1.93166649E-16 -6.00181628E-16 2.23263303E-16 -5.01408435E-01 -2.58102524E-01 -2.47989156E-16 1.04144233E-16 -6.64096989E-01 -2.58102524E-01 -6.64096989E-01 -1.86207491E-16 1.62130070E-18 -3.15781515E-01 -3.94784306E-17 -5.61211332E-16 -3.60955108E-01 1.95761557E-16 8.24747123E-16 3.00906769E-02 -4.56316467E-02 -4.07736121E-02 1.11622601E+00 -6.00181628E-16 1.70395672E+00 -3.65405859E-17 4.63433955E-17 1.94765710E-16 -2.94049115E-17 5.99359865E-02 2.59352932E+00 -1.09540239E-01 -2.94049115E-17 -3.00142981E-01 3.49034958E-16 1.39684927E-17 3.27633025E-02 1.13727788E+00 -3.60955108E-01 -1.06024518E-01 1.21271527E-02 1.12320804E-02 -2.17026107E-16 2.70227625E-17 -1.16394993E-16 1.06024518E-01 1.04144233E-16 -9.50503440E-01 -1.49776107E-16 3.27633025E-02 -5.84181442E-04 -1.09540239E-01 5.59848033E-03 -2.47989156E-16 1.95761557E-16 2.11404558E-16 -1.63094556E-16 1.30982085E-01 -4.05199785E-16 1.94765710E-16 4.80193576E-02 1.21271527E-02 -1.86207491E-16 5.59848033E-03 1.30905416E-16 1.30982085E-01 -3.94784306E-17 -1.20557653E-16 -4.80193576E-02 -4.05199785E-16 -2.16726739E-02 -5.61211332E-16 1.17613548E-01 -4.07736121E-02 -2.17026107E-16 -1.93166649E-16 1.02263167E+00 Overlap Matrix R N= 91 1.00000000E+00 2.33689906E-01 1.00000000E+00 -2.19000344E-32 1.96662912E-31 1.00000000E+00 -3.09679752E-34 2.40191375E-33 1.72918999E-63 1.00000000E+00 -1.29370875E-17 -6.32626689E-17 -1.55751588E-47 -3.28508671E-49 1.00000000E+00 1.67279760E-01 7.63640773E-01 -2.12502812E-31 0.00000000E+00 2.78613177E-17 1.00000000E+00 -9.40805099E-33 -1.70540395E-31 5.01520641E-01 0.00000000E+00 -6.12959050E-48 0.00000000E+00 1.00000000E+00 4.56309705E-36 0.00000000E+00 0.00000000E+00 5.01520641E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 1.00000000E+00 1.68362391E-18 2.44229206E-17 -6.12959050E-48 0.00000000E+00 5.01520641E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 1.00000000E+00 3.24777218E-02 2.36571830E-01 -2.24812932E-01 9.90630692E-18 -1.61782269E-01 4.17255776E-01 -4.71101806E-01 2.07589441E-17 -3.39019284E-01 1.00000000E+00 6.76541194E-02 3.73902335E-01 -1.20083739E-01 5.29144993E-18 -8.64159354E-02 6.75407241E-01 -3.92782347E-01 1.73078232E-17 -2.82658204E-01 6.58292049E-01 1.00000000E+00 3.24777218E-02 2.36571830E-01 2.24812932E-01 9.90630692E-18 -1.61782269E-01 4.17255776E-01 4.71101806E-01 2.07589441E-17 -3.39019284E-01 4.01460983E-02 2.03116390E-01 1.00000000E+00 6.76541194E-02 3.73902335E-01 1.20083739E-01 5.29144993E-18 -8.64159354E-02 6.75407241E-01 3.92782347E-01 1.73078232E-17 -2.82658204E-01 2.03116390E-01 4.85631516E-01 6.58292049E-01 1.00000000E+00 Kinetic Energy Matrix R N= 91 2.95401398E+01 -2.18540273E+00 1.71121096E+00 0.00000000E+00 0.00000000E+00 4.25187706E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 4.25187706E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 4.25187706E+00 1.31282499E-01 4.80047821E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 4.05008700E-01 0.00000000E+00 0.00000000E+00 5.47243224E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 6.75014500E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 5.47243224E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 6.75014500E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 5.47243224E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 6.75014500E-01 -2.29989850E-02 1.05105546E-02 -1.65559042E-01 7.29530402E-18 -1.19141356E-01 1.35491412E-01 -3.39201223E-01 1.49467888E-17 -2.44099586E-01 1.39567828E+00 2.05977854E-02 1.06405166E-01 -6.83438105E-02 3.01154723E-18 -4.91822986E-02 1.57776527E-01 -1.71071844E-01 7.53822379E-18 -1.23108537E-01 2.59735083E-01 2.41916700E-01 -2.29989850E-02 1.05105546E-02 1.65559042E-01 7.29530402E-18 -1.19141356E-01 1.35491412E-01 3.39201223E-01 1.49467888E-17 -2.44099586E-01 -4.12624238E-02 1.71882754E-02 1.39567828E+00 2.05977854E-02 1.06405166E-01 6.83438105E-02 3.01154723E-18 -4.91822986E-02 1.57776527E-01 1.71071844E-01 7.53822379E-18 -1.23108537E-01 1.71882754E-02 6.09102921E-02 2.59735083E-01 2.41916700E-01 Nuclear Attraction Matrix R N= 91 -6.25660138E+01 -5.17735336E+00 -1.16157098E+01 4.85722573E-17 5.68989300E-16 -1.27735521E+01 -1.53015050E-18 -1.04123727E-17 2.46519033E-32 -1.26657718E+01 2.49892540E-02 1.70046952E-01 -2.70616862E-16 3.41774369E-18 -1.27215878E+01 -5.49986908E+00 -7.85562496E+00 3.46944695E-16 -9.86328116E-18 1.61079605E-01 -7.65830883E+00 6.07153217E-18 2.49800181E-16 -4.36415611E+00 1.65629975E-32 -1.52655666E-16 1.11022302E-16 -5.47502076E+00 -2.10851976E-19 -6.69080235E-18 1.65629975E-32 -4.26473257E+00 3.15274838E-18 -1.41905108E-17 2.23407874E-32 -5.24004502E+00 3.44347409E-03 1.09269095E-01 -1.52655666E-16 3.15274838E-18 -4.31622086E+00 2.31748628E-01 -9.71445147E-17 7.45114744E-18 -5.36173149E+00 -1.02503337E+00 -2.24696774E+00 1.93413430E+00 -8.66321903E-17 1.41481104E+00 -2.94511776E+00 2.82617060E+00 -1.26217999E-16 2.06129635E+00 -6.31748030E+00 -2.19555499E+00 -3.66456000E+00 9.94307827E-01 -4.82449989E-17 7.87900624E-01 -4.46382460E+00 1.90233543E+00 -9.16932522E-17 1.49746445E+00 -3.76905366E+00 -4.70711402E+00 -1.02503337E+00 -2.24696774E+00 -1.93413430E+00 -8.66321903E-17 1.41481104E+00 -2.94511776E+00 -2.82617060E+00 -1.26217999E-16 2.06129635E+00 -3.24369195E-01 -1.35128261E+00 -6.31748030E+00 -2.19555499E+00 -3.66456000E+00 -9.94307827E-01 -4.82449989E-17 7.87900624E-01 -4.46382460E+00 -1.90233543E+00 -9.16932522E-17 1.49746445E+00 -1.35128261E+00 -2.71141308E+00 -3.76905366E+00 -4.70711402E+00 Core Hamiltonian Matrix R N= 91 -3.30258740E+01 -7.36275609E+00 -9.90449888E+00 4.85722573E-17 5.68989300E-16 -8.52167507E+00 -1.53015050E-18 -1.04123727E-17 2.46519033E-32 -8.41389477E+00 2.49892541E-02 1.70046952E-01 -2.70616862E-16 3.41774369E-18 -8.46971076E+00 -5.36858658E+00 -7.37557714E+00 3.46944695E-16 -9.86328116E-18 1.61079606E-01 -7.25330013E+00 6.07153217E-18 2.49800181E-16 -3.81691288E+00 1.65629975E-32 -1.52655666E-16 1.11022303E-16 -4.80000626E+00 -2.10851976E-19 -6.69080235E-18 1.65629975E-32 -3.71748935E+00 3.15274838E-18 -1.41905108E-17 2.23407874E-32 -4.56503052E+00 3.44347409E-03 1.09269095E-01 -1.52655666E-16 3.15274838E-18 -3.76897764E+00 2.31748628E-01 -9.71445147E-17 7.45114744E-18 -4.68671699E+00 -1.04803236E+00 -2.23645719E+00 1.76857526E+00 -7.93368863E-17 1.29566968E+00 -2.80962635E+00 2.48696937E+00 -1.11271210E-16 1.81719677E+00 -4.92180202E+00 -2.17495720E+00 -3.55815483E+00 9.25964017E-01 -4.52334517E-17 7.38718326E-01 -4.30604807E+00 1.73126359E+00 -8.41550284E-17 1.37435591E+00 -3.50931858E+00 -4.46519732E+00 -1.04803236E+00 -2.23645719E+00 -1.76857526E+00 -7.93368863E-17 1.29566968E+00 -2.80962635E+00 -2.48696937E+00 -1.11271210E-16 1.81719677E+00 -3.65631619E-01 -1.33409433E+00 -4.92180202E+00 -2.17495720E+00 -3.55815483E+00 -9.25964017E-01 -4.52334517E-17 7.38718326E-01 -4.30604807E+00 -1.73126359E+00 -8.41550284E-17 1.37435591E+00 -1.33409433E+00 -2.65050279E+00 -3.50931858E+00 -4.46519732E+00 Multipole Matrix (1,0,0) R N= 91 -1.00841653E-15 -2.35656763E-16 -1.00841653E-15 7.27077806E-02 4.96075284E-01 -1.00841653E-15 0.00000000E+00 0.00000000E+00 0.00000000E+00 -1.00841653E-15 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 -1.00841653E-15 -1.68687674E-16 -7.70067975E-16 4.82583279E-01 0.00000000E+00 0.00000000E+00 -1.00841653E-15 1.00190010E-02 3.29089724E-01 -5.05741702E-16 0.00000000E+00 0.00000000E+00 9.62240114E-01 -1.00841653E-15 0.00000000E+00 0.00000000E+00 0.00000000E+00 -5.05741702E-16 0.00000000E+00 0.00000000E+00 0.00000000E+00 -1.00841653E-15 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 -5.05741702E-16 0.00000000E+00 0.00000000E+00 0.00000000E+00 -1.00841653E-15 -3.52497009E-03 -1.51924512E-01 2.42034682E-01 -5.96931342E-18 9.74862862E-02 -4.53313056E-01 7.36019119E-01 -2.27373055E-17 3.71328378E-01 -1.49643570E+00 -1.92617298E-03 -8.10943170E-02 2.71578650E-01 -1.00446115E-18 1.64040954E-02 -3.77950931E-01 1.03354379E+00 -9.68527947E-18 1.58172617E-01 -9.85091722E-01 -1.49643570E+00 3.52497009E-03 1.51924512E-01 2.42034682E-01 5.96931342E-18 -9.74862862E-02 4.53313056E-01 7.36019119E-01 2.27373055E-17 -3.71328378E-01 2.59563742E-17 1.89993139E-01 1.49643570E+00 1.92617298E-03 8.10943170E-02 2.71578650E-01 1.00446115E-18 -1.64040954E-02 3.77950931E-01 1.03354379E+00 9.68527947E-18 -1.58172617E-01 -1.89993139E-01 3.23495574E-16 9.85091722E-01 1.49643570E+00 Multipole Matrix (0,1,0) R N= 91 -1.38956438E-17 -3.24727170E-18 -1.38956438E-17 0.00000000E+00 0.00000000E+00 -1.38956438E-17 7.27077806E-02 4.96075284E-01 0.00000000E+00 -1.38956438E-17 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 -1.38956438E-17 -2.32445996E-18 -1.06112802E-17 0.00000000E+00 4.82583279E-01 0.00000000E+00 -1.38956438E-17 0.00000000E+00 0.00000000E+00 -6.96895220E-18 0.00000000E+00 0.00000000E+00 0.00000000E+00 -1.38956438E-17 1.00190010E-02 3.29089724E-01 0.00000000E+00 -6.96895220E-18 0.00000000E+00 9.62240114E-01 0.00000000E+00 -1.38956438E-17 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 -6.96895220E-18 0.00000000E+00 0.00000000E+00 0.00000000E+00 -1.38956438E-17 -2.95972222E-19 3.40718508E-18 -2.84539298E-18 1.06567564E-01 -2.04763191E-18 1.41770510E-17 -1.61910426E-17 2.20020538E-01 -1.16515700E-17 5.20442964E-17 -8.55221376E-19 -1.62221963E-18 6.64179721E-19 2.48783490E-01 4.77964064E-19 7.26906331E-18 -4.22731587E-18 8.13746840E-01 -3.04210593E-18 3.42603465E-17 5.20442964E-17 -2.95972222E-19 3.40718508E-18 2.84539298E-18 1.06567564E-01 -2.04763191E-18 1.41770510E-17 1.61910426E-17 2.20020538E-01 -1.16515700E-17 2.08937544E-18 1.05710496E-17 5.20442964E-17 -8.55221376E-19 -1.62221963E-18 -6.64179721E-19 2.48783490E-01 4.77964064E-19 7.26906331E-18 4.22731587E-18 8.13746840E-01 -3.04210593E-18 1.05710496E-17 2.52743505E-17 3.42603465E-17 5.20442964E-17 Multipole Matrix (0,0,1) R N= 91 2.26933085E-01 5.30319714E-02 2.26933085E-01 0.00000000E+00 0.00000000E+00 2.26933085E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 2.26933085E-01 7.27077806E-02 4.96075284E-01 0.00000000E+00 0.00000000E+00 2.26933085E-01 3.79613120E-02 1.73295357E-01 0.00000000E+00 0.00000000E+00 4.82583279E-01 2.26933085E-01 0.00000000E+00 0.00000000E+00 1.13811626E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 2.26933085E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 1.13811626E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 2.26933085E-01 1.00190010E-02 3.29089724E-01 0.00000000E+00 0.00000000E+00 1.13811626E-01 9.62240114E-01 0.00000000E+00 0.00000000E+00 2.26933085E-01 4.83359320E-03 -5.56435551E-02 4.64687938E-02 -2.04763191E-18 1.40007931E-01 -2.31528814E-01 2.64419791E-01 -1.16515700E-17 4.10305116E-01 -8.49947861E-01 1.39668250E-02 2.64928571E-02 -1.08468780E-02 4.77964064E-19 2.40977744E-01 -1.18712813E-01 6.90373073E-02 -3.04210593E-18 8.63428201E-01 -5.59513919E-01 -8.49947861E-01 4.83359320E-03 -5.56435551E-02 -4.64687938E-02 -2.04763191E-18 1.40007931E-01 -2.31528814E-01 -2.64419791E-01 -1.16515700E-17 4.10305116E-01 -3.41220904E-02 -1.72638341E-01 -8.49947861E-01 1.39668250E-02 2.64928571E-02 1.08468780E-02 4.77964064E-19 2.40977744E-01 -1.18712813E-01 -6.90373073E-02 -3.04210593E-18 8.63428201E-01 -1.72638341E-01 -4.12761468E-01 -5.59513919E-01 -8.49947861E-01 Multipole Matrix (2,0,0) R N= 91 1.71624626E-02 1.72086514E-02 2.87776723E-01 -1.46639455E-16 -1.00050103E-15 5.19257961E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 1.73085987E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 1.73085987E-01 9.64068461E-03 3.16663334E-01 -9.73289906E-16 0.00000000E+00 0.00000000E+00 9.25906036E-01 -2.02066523E-17 -6.63719033E-16 5.34232956E-01 0.00000000E+00 0.00000000E+00 -1.94067766E-15 2.77771811E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 1.78077652E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 9.25906036E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 1.78077652E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 9.25906036E-01 2.29835101E-03 1.70799892E-01 -2.68508382E-01 6.64276618E-18 -1.08484604E-01 7.08227120E-01 -1.27230153E+00 3.54542236E-17 -5.79011412E-01 2.54102281E+00 4.05903509E-03 1.84884892E-01 -1.46243803E-01 2.28219961E-18 -3.72711481E-02 9.94517297E-01 -1.48908914E+00 2.54852606E-17 -4.16205891E-01 1.85069571E+00 3.78944015E+00 2.29835101E-03 1.70799892E-01 2.68508382E-01 6.64276618E-18 -1.08484604E-01 7.08227120E-01 1.27230153E+00 3.54542236E-17 -5.79011412E-01 1.73210044E-02 2.99160148E-01 2.54102281E+00 4.05903509E-03 1.84884892E-01 1.46243803E-01 2.28219961E-18 -3.72711481E-02 9.94517297E-01 1.48908914E+00 2.54852606E-17 -4.16205891E-01 2.99160148E-01 7.52787296E-01 1.85069571E+00 3.78944015E+00 Multipole Matrix (1,1,0) R N= 91 1.40125969E-32 3.27460245E-33 1.40125969E-32 -1.01032142E-18 -6.89328546E-18 1.40125969E-32 -7.33197275E-17 -5.00250515E-16 1.73085987E-01 1.40125969E-32 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 1.40125969E-32 2.34402384E-33 1.07005903E-32 -6.70580536E-18 -4.86644953E-16 0.00000000E+00 1.40125969E-32 -1.39220469E-19 -4.57291360E-18 7.02760657E-33 1.78077652E-01 0.00000000E+00 -1.33709459E-17 1.40125969E-32 -1.01033261E-17 -3.31859516E-16 1.78077652E-01 7.02760657E-33 0.00000000E+00 -9.70338832E-16 9.25906036E-01 1.40125969E-32 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 7.02760657E-33 0.00000000E+00 0.00000000E+00 0.00000000E+00 1.40125969E-32 2.76669221E-20 -2.27315023E-18 3.27953844E-18 -5.88789903E-02 1.55863376E-18 -1.55796706E-17 2.52267641E-17 -2.33853115E-01 1.29385495E-17 -7.78809430E-17 2.37475942E-20 3.83145824E-19 -1.49156059E-18 -4.72258743E-02 -8.31506025E-20 -4.06769290E-18 1.11235042E-17 -4.55364344E-01 1.70233112E-18 -5.12684056E-17 -7.78809430E-17 -2.76669221E-20 2.27315023E-18 3.27953844E-18 5.88789903E-02 -1.55863376E-18 1.55796706E-17 2.52267641E-17 2.33853115E-01 -1.29385495E-17 1.22148056E-33 9.88805926E-18 7.78809430E-17 -2.37475942E-20 -3.83145824E-19 -1.49156059E-18 4.72258743E-02 8.31506025E-20 4.06769290E-18 1.11235042E-17 4.55364344E-01 -1.70233112E-18 -9.88805926E-18 1.68360995E-32 5.12684056E-17 7.78809430E-17 Multipole Matrix (0,2,0) R N= 91 1.71624626E-02 1.72086514E-02 2.87776723E-01 0.00000000E+00 0.00000000E+00 1.73085987E-01 -2.02064285E-18 -1.37865709E-17 0.00000000E+00 5.19257961E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 1.73085987E-01 9.64068461E-03 3.16663334E-01 0.00000000E+00 -1.34116107E-17 0.00000000E+00 9.25906036E-01 0.00000000E+00 0.00000000E+00 1.78077652E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 9.25906036E-01 -2.78440938E-19 -9.14582720E-18 0.00000000E+00 5.34232956E-01 0.00000000E+00 -2.67418918E-17 0.00000000E+00 2.77771811E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 1.78077652E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 9.25906036E-01 1.81463450E-03 7.13043216E-02 -5.88789903E-02 4.82179943E-18 -4.23711242E-02 2.11712588E-01 -2.33853115E-01 2.47993246E-17 -1.68287861E-01 3.01703015E-01 3.99054893E-03 1.68007154E-01 -4.72258743E-02 -6.71036308E-19 -3.39851851E-02 7.83019852E-01 -4.55364344E-01 3.75813616E-17 -3.27694125E-01 3.76569287E-01 1.55012035E+00 1.81463450E-03 7.13043216E-02 5.88789903E-02 4.82179943E-18 -4.23711242E-02 2.11712588E-01 2.33853115E-01 2.47993246E-17 -1.68287861E-01 1.50623166E-02 1.18045703E-01 3.01703015E-01 3.99054893E-03 1.68007154E-01 4.72258743E-02 -6.71036308E-19 -3.39851851E-02 7.83019852E-01 4.55364344E-01 3.75813616E-17 -3.27694125E-01 1.18045703E-01 7.52787296E-01 3.76569287E-01 1.55012035E+00 Multipole Matrix (1,0,1) R N= 91 -2.28843073E-16 -5.34783163E-17 -2.28843073E-16 1.64998010E-02 1.12575895E-01 -2.28843073E-16 0.00000000E+00 0.00000000E+00 0.00000000E+00 -2.28843073E-16 -7.33197275E-17 -5.00250515E-16 1.73085987E-01 0.00000000E+00 -2.28843073E-16 -3.82808143E-17 -1.74753902E-16 1.09514112E-01 0.00000000E+00 -4.86644953E-16 -2.28843073E-16 2.27364280E-03 7.46813465E-02 -1.14769525E-16 0.00000000E+00 1.78077652E-01 2.18364118E-01 -2.28843073E-16 0.00000000E+00 0.00000000E+00 0.00000000E+00 -1.14769525E-16 0.00000000E+00 0.00000000E+00 0.00000000E+00 -2.28843073E-16 -1.01033261E-17 -3.31859516E-16 1.78077652E-01 0.00000000E+00 -1.14769525E-16 -9.70338832E-16 9.25906036E-01 0.00000000E+00 -2.28843073E-16 -4.51835127E-04 3.71233605E-02 -5.35589273E-02 1.55863376E-18 -8.43334113E-02 2.54435330E-01 -4.11984323E-01 1.29385495E-17 -4.45155663E-01 1.27189232E+00 -3.87827644E-04 -6.25724616E-03 2.43590329E-02 -8.31506025E-20 -4.58679219E-02 6.64304664E-02 -1.81660609E-01 1.70233112E-18 -4.83165521E-01 8.37276602E-01 1.27189232E+00 4.51835127E-04 -3.71233605E-02 -5.35589273E-02 -1.55863376E-18 8.43334113E-02 -2.54435330E-01 -4.11984323E-01 -1.29385495E-17 4.45155663E-01 -2.26253951E-17 -1.61484263E-01 -1.27189232E+00 3.87827644E-04 6.25724616E-03 2.43590329E-02 8.31506025E-20 4.58679219E-02 -6.64304664E-02 -1.81660609E-01 -1.70233112E-18 4.83165521E-01 1.61484263E-01 -2.74954371E-16 -8.37276602E-01 -1.27189232E+00 Multipole Matrix (0,1,1) R N= 91 -3.15338133E-18 -7.36913386E-19 -3.15338133E-18 0.00000000E+00 0.00000000E+00 -3.15338133E-18 1.64998010E-02 1.12575895E-01 0.00000000E+00 -3.15338133E-18 -1.01032142E-18 -6.89328546E-18 0.00000000E+00 1.73085987E-01 -3.15338133E-18 -5.27496870E-19 -2.40805056E-18 0.00000000E+00 1.09514112E-01 -6.70580536E-18 -3.15338133E-18 0.00000000E+00 0.00000000E+00 -1.58148582E-18 0.00000000E+00 0.00000000E+00 0.00000000E+00 -3.15338133E-18 2.27364280E-03 7.46813465E-02 0.00000000E+00 -1.58148582E-18 1.78077652E-01 2.18364118E-01 0.00000000E+00 -3.15338133E-18 -1.39220469E-19 -4.57291360E-18 0.00000000E+00 1.78077652E-01 -1.58148582E-18 -1.33709459E-17 0.00000000E+00 9.25906036E-01 -3.15338133E-18 -4.72559253E-20 -8.62625484E-19 9.12919950E-19 -1.81874182E-02 1.77062332E-18 -7.99436607E-18 9.26426623E-18 -1.18357922E-01 1.39141821E-17 -4.42349384E-17 -1.76988530E-19 -9.24118398E-20 6.75737509E-20 2.24720198E-02 -1.32738622E-18 -1.27764540E-18 7.43013292E-19 -1.43028044E-01 9.29263690E-18 -2.91195083E-17 -4.42349384E-17 -4.72559253E-20 -8.62625484E-19 -9.12919950E-19 -1.81874182E-02 1.77062332E-18 -7.99436607E-18 -9.26426623E-18 -1.18357922E-01 1.39141821E-17 -1.77586018E-18 -8.98484099E-18 -4.42349384E-17 -1.76988530E-19 -9.24118398E-20 -6.75737509E-20 2.24720198E-02 -1.32738622E-18 -1.27764540E-18 -7.43013292E-19 -1.43028044E-01 9.29263690E-18 -8.98484099E-18 -2.14818802E-17 -2.91195083E-17 -4.42349384E-17 Multipole Matrix (0,0,2) R N= 91 6.86610878E-02 2.92433603E-02 3.39275348E-01 0.00000000E+00 0.00000000E+00 2.24584612E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 2.24584612E-01 3.29996020E-02 2.25151790E-01 0.00000000E+00 0.00000000E+00 5.70756586E-01 1.82553623E-02 3.55989784E-01 0.00000000E+00 0.00000000E+00 2.19028225E-01 9.77404661E-01 0.00000000E+00 0.00000000E+00 2.03905275E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 9.77404661E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 2.03905275E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 9.77404661E-01 4.54728560E-03 1.49362693E-01 0.00000000E+00 0.00000000E+00 5.60060579E-01 4.36728236E-01 0.00000000E+00 0.00000000E+00 2.82921673E+00 2.58638232E-03 8.53920649E-02 -7.37881046E-02 3.25144823E-18 -8.94750157E-02 3.42270493E-01 -3.85150064E-01 1.69715092E-17 -5.13881622E-01 1.02411438E+00 6.88099097E-03 1.69516354E-01 -4.83294374E-02 2.12962055E-18 1.01646968E-02 8.03885385E-01 -4.67498672E-01 2.06001732E-17 -6.22482446E-01 8.52126947E-01 2.27253172E+00 2.58638232E-03 8.53920649E-02 7.37881046E-02 3.25144823E-18 -8.94750157E-02 3.42270493E-01 3.85150064E-01 1.69715092E-17 -5.13881622E-01 4.40643143E-02 2.64779292E-01 1.02411438E+00 6.88099097E-03 1.69516354E-01 4.83294374E-02 2.12962055E-18 1.01646968E-02 8.03885385E-01 4.67498672E-01 2.06001732E-17 -6.22482446E-01 2.64779292E-01 1.10361302E+00 8.52126947E-01 2.27253172E+00 Number of independent functions I 13 Alpha MO coefficients R N= 169 -9.95042046E-01 -2.78505396E-02 4.80016267E-16 3.77518122E-16 2.13268617E-03 1.29934812E-02 8.12886926E-16 -2.81431452E-16 -2.56800392E-03 -1.13264998E-04 -3.01140810E-03 -1.13264998E-04 -3.01140810E-03 2.10433559E-01 -4.65949128E-01 -5.22993087E-16 -2.54076410E-16 1.44300538E-01 -4.57275321E-01 9.08464055E-16 -3.91820120E-17 6.86647402E-02 -1.46304390E-01 -1.05842648E-03 -1.46304390E-01 -1.05842648E-03 -2.67756010E-16 -2.55990159E-15 5.12472051E-01 -4.05490663E-17 3.49475261E-15 9.67735731E-15 2.35184586E-01 -5.72443634E-17 -8.47192248E-16 -2.65668752E-01 -1.48188568E-01 2.65668752E-01 1.48188568E-01 -8.71149283E-02 1.94146589E-01 -4.30004329E-15 -1.98665803E-15 5.49380005E-01 3.59505651E-01 7.44593474E-16 -1.28587913E-15 3.85874955E-01 -1.38454733E-01 -1.06401956E-01 -1.38454733E-01 -1.06401956E-01 -2.04802337E-16 2.27550993E-16 -7.19763059E-17 6.45908272E-01 1.16164684E-15 1.83469348E-15 1.22190389E-16 5.05362922E-01 8.77424185E-16 -5.34292414E-16 -8.02616122E-16 -4.10375808E-16 -8.42875748E-16 -8.95327683E-02 1.57179429E-01 3.14679089E-15 7.58800907E-17 -2.89165912E-01 1.07467238E+00 6.34663248E-16 -2.37002249E-16 -4.33772519E-01 -1.08305781E-01 -9.26622539E-01 -1.08305781E-01 -9.26622539E-01 -5.80401431E-17 -8.62049675E-15 -4.22090311E-01 1.40745216E-16 9.28435595E-16 2.09628142E-14 -7.57288836E-01 -6.43830836E-17 -5.18482637E-15 -9.58791652E-02 -1.24879779E+00 9.58791652E-02 1.24879779E+00 -2.43719381E-15 1.02948420E-14 2.53752443E-01 -5.38163417E-15 -4.65404352E-14 -1.31250598E-14 4.34878921E-01 5.93041596E-15 2.08593317E-14 9.76753145E-01 -7.10096372E-01 -9.76753145E-01 7.10096372E-01 -4.35577557E-02 2.27846114E-01 -3.83736326E-14 2.52072467E-15 -6.33828395E-01 -2.64813783E-01 -7.96928034E-15 -2.94187732E-15 2.76667521E-01 -8.27318199E-01 6.27099463E-01 -8.27318199E-01 6.27099463E-01 -2.92537823E-16 1.02510467E-15 1.25311528E-15 9.58566022E-01 7.38917862E-15 2.63944219E-15 3.06407415E-15 -1.03954540E+00 -1.02028593E-14 4.14263764E-15 -5.51644860E-15 -7.96436920E-15 2.29590154E-15 -6.72628661E-02 3.93689794E-01 -1.03711445E-14 -8.07260585E-15 7.29302068E-01 -3.20406952E-02 1.62025940E-14 8.08509262E-15 -1.17184271E+00 -5.24663154E-01 7.94152528E-02 -5.24663154E-01 7.94152528E-02 -4.85689996E-16 -1.65741729E-14 9.72422511E-01 1.62068724E-16 -5.54269685E-16 3.41481334E-14 -1.71332968E+00 -3.33418672E-16 -1.73880751E-14 -9.33676883E-02 -8.62237131E-01 9.33676883E-02 8.62237131E-01 5.91840631E-02 -1.67680915E+00 -1.37474667E-14 -1.20641278E-15 1.77771757E-01 2.70872891E+00 2.64701455E-14 1.42550363E-15 -7.85890367E-01 -4.18004811E-01 -6.16834913E-01 -4.18004811E-01 -6.16834913E-01 Alpha Orbital Energies R N= 13 -1.91333428E+01 -1.00626801E+00 -5.29929910E-01 -3.48148126E-01 -2.89529657E-01 5.29042857E-02 1.42589774E-01 8.23219596E-01 8.50736797E-01 8.90591712E-01 9.44054314E-01 1.07157502E+00 1.40809178E+00 Total SCF Density R N= 91 2.08395993E+00 -1.74503883E-01 5.11154281E-01 -7.00622347E-16 -3.83279458E-15 5.25255205E-01 -7.76657119E-16 -2.61706426E-16 -1.34540709E-16 8.34394993E-01 -3.92312727E-02 7.87282952E-02 -1.29167846E-15 -7.53942260E-16 6.45291167E-01 -2.80946885E-01 5.65003915E-01 7.31774839E-15 1.18383410E-15 2.63095705E-01 6.77027725E-01 -1.49104528E-15 -1.80685297E-15 2.41051054E-01 1.38774536E-16 2.72760440E-15 4.27758975E-15 1.10623579E-01 5.60621356E-16 -2.17116738E-16 -1.31420585E-16 6.52836183E-01 -2.51274457E-16 9.58330872E-16 9.65750006E-17 5.10783365E-01 -3.32216629E-02 8.59871011E-02 -4.26117045E-15 -4.36563195E-16 4.43789733E-01 2.14584337E-01 2.96730732E-16 -1.09477211E-16 3.07241844E-01 -3.72263520E-02 8.25860872E-02 -2.72295621E-01 -4.42786570E-17 -1.94352611E-01 3.42493130E-02 -1.24962391E-01 -1.42006219E-16 -1.26943752E-01 2.22309173E-01 2.40858959E-02 -4.01610690E-02 -1.51884999E-01 -6.03782248E-16 -1.17228522E-01 -7.56144814E-02 -6.97033342E-02 -5.18840875E-16 -8.22455862E-02 1.08512240E-01 6.65828336E-02 -3.72263520E-02 8.25860872E-02 2.72295621E-01 7.27083860E-17 -1.94352611E-01 3.42493130E-02 1.24962391E-01 -7.75926565E-17 -1.26943752E-01 -6.00103709E-02 -4.89640483E-02 2.22309173E-01 2.40858959E-02 -4.01610690E-02 1.51884999E-01 -6.79825932E-16 -1.17228522E-01 -7.56144814E-02 6.97033342E-02 -5.93464161E-16 -8.22455862E-02 -4.89640483E-02 -2.12565734E-02 1.08512240E-01 6.65828336E-02 Pure Switching I 1 Dipole_Data R N= 3 1.94079103E-14 2.57628367E-16 -2.39541366E+00 Quadrupole_Data R N= 6 -4.10555963E+00 -1.39402620E-16 -7.20119698E+00 -1.08733678E-14 -2.55229620E-16 -6.27855401E+00 Octapole_Data R N= 10 3.75807705E-14 8.67424643E-16 3.25115015E-15 9.32510956E-16 -1.20658557E+00 -1.63329052E-17 -4.09997039E-01 8.89932656E-15 5.34370925E-16 -1.39144238E+00 Hexadecapole_Data R N= 15 -6.08131404E+00 -1.14064910E-16 -2.13789742E+00 -1.07328624E-16 -5.19593923E+00 -1.47551446E-14 -2.60817377E-16 -1.10793467E-15 -4.99286390E-16 -1.82634757E+00 -4.11771455E-17 -1.96469727E+00 -6.64382238E-15 -4.91354333E-16 -6.35340088E+00 Cartesian Forces R N= 9 -1.87029905E-15 1.13556777E-18 4.76790046E-04 1.53553450E-04 -4.56934502E-17 -2.38395306E-04 -1.53553450E-04 4.45578824E-17 -2.38395306E-04 Current cartesian coordinates R N= 9 -3.51971818E-15 -1.97008623E-16 2.28742075E-01 -1.49488225E+00 1.43600786E-16 -8.50852356E-01 1.49488225E+00 1.43600786E-16 -8.50852356E-01 Orthonormalization Matrix R N= 91 1.52733146E+00 -2.58948750E-17 2.57443492E-01 -5.86723864E-04 -1.41015550E-16 3.01265586E-17 -2.17217155E-02 -3.94280937E-17 3.19288963E-17 5.54849116E-17 9.53565281E-17 -1.41390179E-17 2.57502798E-18 -5.62290395E-17 -1.37254240E-16 -8.65942501E-17 -1.43698104E-15 3.19288963E-17 -5.02753254E-01 -2.58594370E-01 -1.25147228E-16 -1.83202726E-18 -6.63768592E-01 -2.58594370E-01 -6.63768592E-01 7.38818065E-18 -3.94280937E-17 -3.15877597E-01 7.15581713E-17 -4.74115907E-17 -3.60858718E-01 1.22577449E-16 1.96724706E-16 3.00977998E-02 -4.57110178E-02 -4.07833972E-02 1.11622601E+00 -1.43698104E-15 1.70214815E+00 5.54849116E-17 1.10167210E-15 -8.61210073E-16 -1.07600786E-16 6.00835249E-02 2.59344373E+00 -1.09535189E-01 -1.07600786E-16 -3.00142981E-01 2.56058568E-16 1.18336420E-17 3.29860459E-02 1.13722791E+00 -3.60858718E-01 -1.05938363E-01 1.21428639E-02 1.12670432E-02 -1.01748293E-16 9.53565281E-17 7.01147038E-16 1.05938363E-01 -1.83202726E-18 -9.50571295E-01 3.01265586E-17 3.29860459E-02 -5.86723864E-04 -1.09535189E-01 5.59688623E-03 -1.25147228E-16 1.22577449E-16 1.90934241E-16 2.76321751E-17 1.30914396E-01 4.89733220E-16 -8.61210073E-16 4.79360345E-02 1.21428639E-02 7.38818065E-18 5.59688623E-03 -1.41015550E-16 1.30914396E-01 7.15581713E-17 -1.38513716E-17 -4.79360345E-02 4.89733220E-16 -2.17217155E-02 -4.74115907E-17 1.17991070E-01 -4.07833972E-02 -1.01748293E-16 -8.65942501E-17 1.02263207E+00 Overlap Matrix R N= 91 1.00000000E+00 2.33689906E-01 1.00000000E+00 2.59414922E-31 9.60531417E-31 1.00000000E+00 -9.20365983E-33 3.31347002E-32 4.02086575E-62 1.00000000E+00 1.19612602E-17 8.65397961E-18 -1.08987923E-47 -1.36234903E-48 1.00000000E+00 1.67279760E-01 7.63640773E-01 -2.10984918E-31 1.81703033E-33 2.78613177E-17 1.00000000E+00 -2.39257348E-32 -3.69138696E-31 5.01520641E-01 7.44816273E-64 -1.30977696E-47 0.00000000E+00 1.00000000E+00 -2.07629167E-33 -3.74361671E-34 7.44816273E-64 5.01520641E-01 -5.24117858E-50 0.00000000E+00 0.00000000E+00 1.00000000E+00 2.04309456E-18 2.44229206E-17 -1.30977696E-47 -5.24117858E-50 5.01520641E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 1.00000000E+00 3.24542452E-02 2.36455392E-01 -2.24456688E-01 5.11425298E-17 -1.62101189E-01 4.17157252E-01 -4.70500724E-01 1.07203744E-16 -3.39792624E-01 1.00000000E+00 6.76412260E-02 3.73840223E-01 -1.19938731E-01 2.73280792E-17 -8.66189872E-02 6.75325092E-01 -3.92326876E-01 8.93918070E-17 -2.83335969E-01 6.58292049E-01 1.00000000E+00 3.24542452E-02 2.36455392E-01 2.24456688E-01 5.11425298E-17 -1.62101189E-01 4.17157252E-01 4.70500724E-01 1.07203744E-16 -3.39792624E-01 4.03951154E-02 2.03611741E-01 1.00000000E+00 6.76412260E-02 3.73840223E-01 1.19938731E-01 2.73280792E-17 -8.66189872E-02 6.75325092E-01 3.92326876E-01 8.93918070E-17 -2.83335969E-01 2.03611741E-01 4.86359960E-01 6.58292049E-01 1.00000000E+00 Kinetic Energy Matrix R N= 91 2.95401398E+01 -2.18540273E+00 1.71121096E+00 0.00000000E+00 0.00000000E+00 4.25187706E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 4.25187706E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 4.25187706E+00 1.31282499E-01 4.80047821E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 4.05008700E-01 0.00000000E+00 0.00000000E+00 5.47243224E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 6.75014500E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 5.47243224E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 6.75014500E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 5.47243224E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 6.75014500E-01 -2.30062995E-02 1.04145279E-02 -1.65197618E-01 3.76403313E-17 -1.19304667E-01 1.35420478E-01 -3.38723280E-01 7.71782102E-17 -2.44623794E-01 1.39567828E+00 2.05897801E-02 1.06370390E-01 -6.82555344E-02 1.55520458E-17 -4.92937118E-02 1.57740749E-01 -1.70863832E-01 3.89313800E-17 -1.23396770E-01 2.59735083E-01 2.41916700E-01 -2.30062995E-02 1.04145279E-02 1.65197618E-01 3.76403313E-17 -1.19304667E-01 1.35420478E-01 3.38723280E-01 7.71782102E-17 -2.44623794E-01 -4.13706839E-02 1.73601704E-02 1.39567828E+00 2.05897801E-02 1.06370390E-01 6.82555344E-02 1.55520458E-17 -4.92937118E-02 1.57740749E-01 1.70863832E-01 3.89313800E-17 -1.23396770E-01 1.73601704E-02 6.11192270E-02 2.59735083E-01 2.41916700E-01 Nuclear Attraction Matrix R N= 91 -6.25658216E+01 -5.17730845E+00 -1.16155184E+01 1.04083409E-16 8.46545056E-16 -1.27730731E+01 -7.89971440E-18 -5.37563264E-17 1.92592994E-31 -1.26656089E+01 2.50389080E-02 1.70385870E-01 -6.10622664E-16 1.76834486E-17 -1.27216583E+01 -5.49983693E+00 -7.85548349E+00 6.66133815E-16 -5.09233184E-17 1.61406378E-01 -7.65817414E+00 1.43114687E-17 4.16333634E-16 -4.36380947E+00 1.46370676E-31 -4.71844785E-16 8.32667268E-17 -5.47436706E+00 -1.08856638E-18 -3.45443308E-17 1.46370676E-31 -4.26466570E+00 1.63143122E-17 -7.32779932E-17 1.01689101E-31 -5.23997351E+00 3.45031632E-03 1.09491594E-01 -4.71844785E-16 1.63143122E-17 -4.31637548E+00 2.32261679E-01 -3.19189120E-16 3.85699398E-17 -5.36222467E+00 -1.02426806E+00 -2.24578655E+00 1.93095293E+00 -4.47237001E-16 1.41756088E+00 -2.94427903E+00 2.82244383E+00 -6.51815018E-16 2.06599067E+00 -6.31707579E+00 -2.19512201E+00 -3.66393484E+00 9.93042638E-01 -2.49161806E-16 7.89742417E-01 -4.46333194E+00 1.90001835E+00 -4.73605747E-16 1.50113917E+00 -3.76883932E+00 -4.70705967E+00 -1.02426806E+00 -2.24578655E+00 -1.93095293E+00 -4.47237001E-16 1.41756088E+00 -2.94427903E+00 -2.82244383E+00 -6.51815018E-16 2.06599067E+00 -3.25984508E-01 -1.35395749E+00 -6.31707579E+00 -2.19512201E+00 -3.66393484E+00 -9.93042638E-01 -2.49161806E-16 7.89742417E-01 -4.46333194E+00 -1.90001835E+00 -4.73605747E-16 1.50113917E+00 -1.35395749E+00 -2.71442709E+00 -3.76883932E+00 -4.70705967E+00 Core Hamiltonian Matrix R N= 91 -3.30256818E+01 -7.36271118E+00 -9.90430748E+00 1.04083409E-16 8.46545057E-16 -8.52119605E+00 -7.89971440E-18 -5.37563263E-17 1.92592994E-31 -8.41373188E+00 2.50389080E-02 1.70385870E-01 -6.10622664E-16 1.76834486E-17 -8.46978128E+00 -5.36855443E+00 -7.37543567E+00 6.66133815E-16 -5.09233183E-17 1.61406378E-01 -7.25316544E+00 1.43114687E-17 4.16333634E-16 -3.81656625E+00 1.46370676E-31 -4.71844785E-16 8.32667275E-17 -4.79935256E+00 -1.08856638E-18 -3.45443308E-17 1.46370676E-31 -3.71742247E+00 1.63143122E-17 -7.32779931E-17 1.01689101E-31 -4.56495901E+00 3.45031632E-03 1.09491594E-01 -4.71844785E-16 1.63143122E-17 -3.76913226E+00 2.32261679E-01 -3.19189120E-16 3.85699398E-17 -4.68721016E+00 -1.04727436E+00 -2.23537203E+00 1.76575531E+00 -4.09596670E-16 1.29825622E+00 -2.80885855E+00 2.48372055E+00 -5.74636808E-16 1.82136688E+00 -4.92139750E+00 -2.17453223E+00 -3.55756445E+00 9.24787104E-01 -2.33609760E-16 7.40448705E-01 -4.30559119E+00 1.72915452E+00 -4.34674366E-16 1.37774240E+00 -3.50910424E+00 -4.46514297E+00 -1.04727436E+00 -2.23537203E+00 -1.76575531E+00 -4.09596670E-16 1.29825622E+00 -2.80885855E+00 -2.48372055E+00 -5.74636808E-16 1.82136688E+00 -3.67355192E-01 -1.33659732E+00 -4.92139750E+00 -2.17453223E+00 -3.55756445E+00 -9.24787104E-01 -2.33609760E-16 7.40448705E-01 -4.30559119E+00 -1.72915452E+00 -4.34674366E-16 1.37774240E+00 -1.33659732E+00 -2.65330786E+00 -3.50910424E+00 -4.46514297E+00 Multipole Matrix (1,0,0) R N= 91 -3.51971818E-15 -8.22522611E-16 -3.51971818E-15 7.27077806E-02 4.96075284E-01 -3.51971818E-15 0.00000000E+00 0.00000000E+00 0.00000000E+00 -3.51971818E-15 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 -3.51971818E-15 -5.88777611E-16 -2.68780031E-15 4.82583279E-01 0.00000000E+00 0.00000000E+00 -3.51971818E-15 1.00190010E-02 3.29089724E-01 -1.76521132E-15 0.00000000E+00 0.00000000E+00 9.62240114E-01 -3.51971818E-15 0.00000000E+00 0.00000000E+00 0.00000000E+00 -1.76521132E-15 0.00000000E+00 0.00000000E+00 0.00000000E+00 -3.51971818E-15 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 -1.76521132E-15 0.00000000E+00 0.00000000E+00 0.00000000E+00 -3.51971818E-15 -3.51873261E-03 -1.51687183E-01 2.41621477E-01 -3.07843911E-17 9.75741018E-02 -4.52734671E-01 7.34773745E-01 -1.17298267E-16 3.71788191E-01 -1.49488225E+00 -1.92380849E-03 -8.09965836E-02 2.71485318E-01 -5.18223466E-18 1.64255934E-02 -3.77512658E-01 1.03296203E+00 -4.99708053E-17 1.58387295E-01 -9.84069100E-01 -1.49488225E+00 3.51873261E-03 1.51687183E-01 2.41621477E-01 3.07843911E-17 -9.75741018E-02 4.52734671E-01 7.34773745E-01 1.17298267E-16 -3.71788191E-01 6.32271425E-17 1.90262182E-01 1.49488225E+00 1.92380849E-03 8.09965836E-02 2.71485318E-01 5.18223466E-18 -1.64255934E-02 3.77512658E-01 1.03296203E+00 4.99708053E-17 -1.58387295E-01 -1.90262182E-01 7.55955236E-16 9.84069100E-01 1.49488225E+00 Multipole Matrix (0,1,0) R N= 91 -1.97008623E-16 -4.60389267E-17 -1.97008623E-16 0.00000000E+00 0.00000000E+00 -1.97008623E-16 7.27077806E-02 4.96075284E-01 0.00000000E+00 -1.97008623E-16 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 -1.97008623E-16 -3.29555552E-17 -1.50443817E-16 0.00000000E+00 4.82583279E-01 0.00000000E+00 -1.97008623E-16 0.00000000E+00 0.00000000E+00 -9.88038911E-17 0.00000000E+00 0.00000000E+00 0.00000000E+00 -1.97008623E-16 1.00190010E-02 3.29089724E-01 0.00000000E+00 -9.88038911E-17 0.00000000E+00 9.62240114E-01 0.00000000E+00 -1.97008623E-16 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 -9.88038911E-17 0.00000000E+00 0.00000000E+00 0.00000000E+00 -1.97008623E-16 -5.59202180E-18 -1.20217769E-17 1.34355120E-17 1.06513524E-01 9.70304113E-18 2.09721668E-17 -2.46055673E-17 2.19969712E-01 -1.77699838E-17 1.43600786E-16 -1.28875644E-17 -5.51946496E-17 1.84467297E-17 2.48741288E-01 1.33221106E-17 -4.70284841E-17 2.73209725E-17 8.13647865E-01 1.97310322E-17 9.45312558E-17 1.43600786E-16 -5.59202180E-18 -1.20217769E-17 -1.34355120E-17 1.06513524E-01 9.70304113E-18 2.09721668E-17 2.46055673E-17 2.19969712E-01 -1.77699838E-17 5.80077033E-18 2.92388061E-17 1.43600786E-16 -1.28875644E-17 -5.51946496E-17 -1.84467297E-17 2.48741288E-01 1.33221106E-17 -4.70284841E-17 -2.73209725E-17 8.13647865E-01 1.97310322E-17 2.92388061E-17 6.98416726E-17 9.45312558E-17 1.43600786E-16 Multipole Matrix (0,0,1) R N= 91 2.28742075E-01 5.34547140E-02 2.28742075E-01 0.00000000E+00 0.00000000E+00 2.28742075E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 2.28742075E-01 7.27077806E-02 4.96075284E-01 0.00000000E+00 0.00000000E+00 2.28742075E-01 3.82639193E-02 1.74676775E-01 0.00000000E+00 0.00000000E+00 4.82583279E-01 2.28742075E-01 0.00000000E+00 0.00000000E+00 1.14718872E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 2.28742075E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 1.14718872E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 2.28742075E-01 1.00190010E-02 3.29089724E-01 0.00000000E+00 0.00000000E+00 1.14718872E-01 9.62240114E-01 0.00000000E+00 0.00000000E+00 2.28742075E-01 4.88244514E-03 -5.54602197E-02 4.62314132E-02 -1.05338426E-17 1.39901556E-01 -2.31540677E-01 2.64164879E-01 -6.01900540E-17 4.10747903E-01 -8.50852356E-01 1.40830322E-02 2.70177720E-02 -1.10094409E-02 2.50850470E-18 2.40790340E-01 -1.18161972E-01 6.86456316E-02 -1.56409296E-17 8.63223302E-01 -5.60109341E-01 -8.50852356E-01 4.88244514E-03 -5.54602197E-02 -4.62314132E-02 -1.05338426E-17 1.39901556E-01 -2.31540677E-01 -2.64164879E-01 -6.01900540E-17 4.10747903E-01 -3.43702791E-02 -1.73243530E-01 -8.50852356E-01 1.40830322E-02 2.70177720E-02 1.10094409E-02 2.50850470E-18 2.40790340E-01 -1.18161972E-01 -6.86456316E-02 -1.56409296E-17 8.63223302E-01 -1.73243530E-01 -4.13820518E-01 -5.60109341E-01 -8.50852356E-01 Multipole Matrix (2,0,0) R N= 91 1.71624626E-02 1.72086514E-02 2.87776723E-01 -5.11821795E-16 -3.49209039E-15 5.19257961E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 1.73085987E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 1.73085987E-01 9.64068461E-03 3.16663334E-01 -3.39711428E-15 0.00000000E+00 0.00000000E+00 9.25906036E-01 -7.05281196E-17 -2.31660617E-15 5.34232956E-01 0.00000000E+00 0.00000000E+00 -6.77362804E-15 2.77771811E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 1.78077652E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 9.25906036E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 1.78077652E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 9.25906036E-01 2.29567457E-03 1.70502781E-01 -2.67891960E-01 3.42494994E-17 -1.08557097E-01 7.07028772E-01 -1.26949690E+00 1.82823555E-16 -5.79476922E-01 2.53637596E+00 4.05812320E-03 1.84818947E-01 -1.46057943E-01 1.17844465E-17 -3.73519418E-02 9.93957505E-01 -1.48710746E+00 1.31568719E-16 -4.17019768E-01 1.84763672E+00 3.78479329E+00 2.29567457E-03 1.70502781E-01 2.67891960E-01 3.42494994E-17 -1.08557097E-01 7.07028772E-01 1.26949690E+00 1.82823555E-16 -5.79476922E-01 1.74296611E-02 2.99517057E-01 2.53637596E+00 4.05812320E-03 1.84818947E-01 1.46057943E-01 1.17844465E-17 -3.73519418E-02 9.93957505E-01 1.48710746E+00 1.31568719E-16 -4.17019768E-01 2.99517057E-01 7.53916471E-01 1.84763672E+00 3.78479329E+00 Multipole Matrix (1,1,0) R N= 91 6.93414833E-31 1.62044047E-31 6.93414833E-31 -1.43240598E-17 -9.77311089E-17 6.93414833E-31 -2.55910897E-16 -1.74604520E-15 1.73085987E-01 6.93414833E-31 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 6.93414833E-31 1.15994267E-31 5.29519839E-31 -9.50730674E-17 -1.69855714E-15 0.00000000E+00 6.93414833E-31 -1.97382959E-18 -6.48335136E-17 3.47761852E-31 1.78077652E-01 0.00000000E+00 -1.89569600E-16 6.93414833E-31 -3.52640598E-17 -1.15830309E-15 1.78077652E-01 3.47761852E-31 0.00000000E+00 -3.38681402E-15 9.25906036E-01 6.93414833E-31 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 3.47761852E-31 0.00000000E+00 0.00000000E+00 0.00000000E+00 6.93414833E-31 5.83321988E-19 7.27344779E-18 -1.33520151E-17 -5.87880905E-02 -4.16187039E-18 -2.36764639E-17 3.80667913E-17 -2.33556236E-01 2.03563682E-17 -2.14666266E-16 3.63437598E-19 1.21200501E-17 -4.17005023E-17 -4.71689107E-02 -2.48707252E-18 2.62893357E-17 -7.19337089E-17 -4.54836303E-01 -1.10298203E-17 -1.41313096E-16 -2.14666266E-16 -5.83321988E-19 -7.27344779E-18 -1.33520151E-17 5.87880905E-02 4.16187039E-18 2.36764639E-17 3.80667913E-17 2.33556236E-01 -2.03563682E-17 8.91410659E-33 2.73217989E-17 2.14666266E-16 -3.63437598E-19 -1.21200501E-17 -4.17005023E-17 4.71689107E-02 2.48707252E-18 -2.62893357E-17 -7.19337089E-17 4.54836303E-01 1.10298203E-17 -2.73217989E-17 1.08555766E-31 1.41313096E-16 2.14666266E-16 Multipole Matrix (0,2,0) R N= 91 1.71624626E-02 1.72086514E-02 2.87776723E-01 0.00000000E+00 0.00000000E+00 1.73085987E-01 -2.86481195E-17 -1.95462218E-16 0.00000000E+00 5.19257961E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 1.73085987E-01 9.64068461E-03 3.16663334E-01 0.00000000E+00 -1.90146135E-16 0.00000000E+00 9.25906036E-01 0.00000000E+00 0.00000000E+00 1.78077652E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 9.25906036E-01 -3.94765917E-18 -1.29667027E-16 0.00000000E+00 5.34232956E-01 0.00000000E+00 -3.79139200E-16 0.00000000E+00 2.77771811E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 1.78077652E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 9.25906036E-01 1.81334619E-03 7.12699399E-02 -5.87880905E-02 -1.78350867E-18 -4.24563842E-02 2.11663680E-01 -2.33556236E-01 7.29757338E-17 -1.68672824E-01 3.01703015E-01 3.98979209E-03 1.67979053E-01 -4.71689107E-02 -6.57660024E-17 -3.40650866E-02 7.82924614E-01 -4.54836303E-01 -9.68749034E-18 -3.28479878E-01 3.76569287E-01 1.55012035E+00 1.81334619E-03 7.12699399E-02 5.87880905E-02 -1.78350867E-18 -4.24563842E-02 2.11663680E-01 2.33556236E-01 7.29757338E-17 -1.68672824E-01 1.51535271E-02 1.18330054E-01 3.01703015E-01 3.98979209E-03 1.67979053E-01 4.71689107E-02 -6.57660024E-17 -3.40650866E-02 7.82924614E-01 4.54836303E-01 -9.68749034E-18 -3.28479878E-01 1.18330054E-01 7.53916471E-01 3.76569287E-01 1.55012035E+00 Multipole Matrix (1,0,1) R N= 91 -8.05107640E-16 -1.88145529E-16 -8.05107640E-16 1.66313286E-02 1.13473290E-01 -8.05107640E-16 0.00000000E+00 0.00000000E+00 0.00000000E+00 -8.05107640E-16 -2.55910897E-16 -1.74604520E-15 1.73085987E-01 0.00000000E+00 -8.05107640E-16 -1.34678212E-16 -6.14813021E-16 1.10387100E-01 0.00000000E+00 -1.69855714E-15 -8.05107640E-16 2.29176707E-03 7.52766664E-02 -4.03778100E-16 0.00000000E+00 1.78077652E-01 2.20104800E-01 -8.05107640E-16 0.00000000E+00 0.00000000E+00 0.00000000E+00 -4.03778100E-16 0.00000000E+00 0.00000000E+00 0.00000000E+00 -8.05107640E-16 -3.52640598E-17 -1.15830309E-15 1.78077652E-01 0.00000000E+00 -4.03778100E-16 -3.38681402E-15 9.25906036E-01 0.00000000E+00 -8.05107640E-16 -4.56547718E-04 3.69680843E-02 -5.32880993E-02 8.01938358E-18 -8.42063016E-02 2.54190043E-01 -4.11403251E-01 6.67707988E-17 -4.45192734E-01 1.27192408E+00 -3.90707659E-04 -6.36566259E-03 2.47481732E-02 -4.36484076E-19 -4.57854323E-02 6.60535803E-02 -1.80737889E-01 8.74341703E-18 -4.82549408E-01 8.37297512E-01 1.27192408E+00 4.56547718E-04 -3.69680843E-02 -5.32880993E-02 -8.01938358E-18 8.42063016E-02 -2.54190043E-01 -4.11403251E-01 -6.67707988E-17 4.45192734E-01 -5.29259049E-17 -1.61885026E-01 -1.27192408E+00 3.90707659E-04 6.36566259E-03 2.47481732E-02 4.36484076E-19 4.57854323E-02 -6.60535803E-02 -1.80737889E-01 -8.74341703E-18 4.82549408E-01 1.61885026E-01 -6.43206293E-16 -8.37297512E-01 -1.27192408E+00 Multipole Matrix (0,1,1) R N= 91 -4.50641613E-17 -1.05310396E-17 -4.50641613E-17 0.00000000E+00 0.00000000E+00 -4.50641613E-17 1.66313286E-02 1.13473290E-01 0.00000000E+00 -4.50641613E-17 -1.43240598E-17 -9.77311089E-17 0.00000000E+00 1.73085987E-01 -4.50641613E-17 -7.53832207E-18 -3.44128310E-17 0.00000000E+00 1.10387100E-01 -9.50730674E-17 -4.50641613E-17 0.00000000E+00 0.00000000E+00 -2.26006071E-17 0.00000000E+00 0.00000000E+00 0.00000000E+00 -4.50641613E-17 2.29176707E-03 7.52766664E-02 0.00000000E+00 -2.26006071E-17 1.78077652E-01 2.20104800E-01 0.00000000E+00 -4.50641613E-17 -1.97382959E-18 -6.48335136E-17 0.00000000E+00 1.78077652E-01 -2.26006071E-17 -1.89569600E-16 0.00000000E+00 9.25906036E-01 -4.50641613E-17 -8.57859248E-19 2.50295142E-18 -1.08860350E-18 -1.80922596E-02 -8.37537966E-18 -1.23017743E-17 1.47280397E-17 -1.18356496E-01 2.05164309E-17 -1.22183067E-16 -2.68545591E-18 -3.87231576E-18 1.73247071E-18 2.28325118E-02 -3.70055478E-17 8.22859760E-18 -4.78036435E-18 -1.42364378E-01 -6.01133940E-17 -8.04321417E-17 -1.22183067E-16 -8.57859248E-19 2.50295142E-18 1.08860350E-18 -1.80922596E-02 -8.37537966E-18 -1.23017743E-17 -1.47280397E-17 -1.18356496E-01 2.05164309E-17 -4.93559910E-18 -2.48779071E-17 -1.22183067E-16 -2.68545591E-18 -3.87231576E-18 -1.73247071E-18 2.28325118E-02 -3.70055478E-17 8.22859760E-18 4.78036435E-18 -1.42364378E-01 -6.01133940E-17 -2.48779071E-17 -5.94249516E-17 -8.04321417E-17 -1.22183067E-16 Multipole Matrix (0,0,2) R N= 91 6.94853995E-02 2.94359936E-02 3.40099660E-01 0.00000000E+00 0.00000000E+00 2.25408924E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 2.25408924E-01 3.32626572E-02 2.26946580E-01 0.00000000E+00 0.00000000E+00 5.71580898E-01 1.83932529E-02 3.56619262E-01 0.00000000E+00 0.00000000E+00 2.20774201E-01 9.78228973E-01 0.00000000E+00 0.00000000E+00 2.04318685E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 9.78228973E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 2.04318685E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 9.78228973E-01 4.58353413E-03 1.50553333E-01 0.00000000E+00 0.00000000E+00 5.60473989E-01 4.40209600E-01 0.00000000E+00 0.00000000E+00 2.83004105E+00 2.60045097E-03 8.52819690E-02 -7.36312322E-02 1.67769003E-17 -8.93605257E-02 3.42275014E-01 -3.84767111E-01 8.76693121E-17 -5.14589347E-01 1.02565275E+00 6.92900751E-03 1.69561914E-01 -4.83037546E-02 1.10060263E-17 1.07803600E-02 8.03599473E-01 -4.66847264E-01 1.06371302E-16 -6.21882873E-01 8.53139640E-01 2.27407008E+00 2.60045097E-03 8.52819690E-02 7.36312322E-02 1.67769003E-17 -8.93605257E-02 3.42275014E-01 3.84767111E-01 8.76693121E-17 -5.14589347E-01 4.43975601E-02 2.65734720E-01 1.02565275E+00 6.92900751E-03 1.69561914E-01 4.83037546E-02 1.10060263E-17 1.07803600E-02 8.03599473E-01 4.66847264E-01 1.06371302E-16 -6.21882873E-01 2.65734720E-01 1.10601663E+00 8.53139640E-01 2.27407008E+00 Number of independent functions I 13 Alpha MO coefficients R N= 169 -9.95042246E-01 -2.78501813E-02 1.74428277E-16 4.89682030E-17 2.13472417E-03 1.29937269E-02 -1.48670936E-16 1.67717955E-16 -2.57422922E-03 -1.16100841E-04 -3.01017440E-03 -1.16100841E-04 -3.01017440E-03 -2.10407845E-01 4.65903312E-01 1.01051251E-16 1.67215563E-16 -1.44499203E-01 4.57242751E-01 1.16315196E-15 1.07768040E-16 -6.87717098E-02 1.46301602E-01 1.05294795E-03 1.46301602E-01 1.05294795E-03 3.10239848E-16 3.38770555E-16 -5.12536231E-01 7.35099342E-17 -4.13425899E-16 -3.63471812E-15 -2.35380827E-01 -2.32805728E-16 1.18170511E-15 2.65599494E-01 1.48410218E-01 -2.65599494E-01 -1.48410218E-01 8.72522834E-02 -1.94440114E-01 -8.73154425E-16 5.33774401E-16 -5.49076963E-01 -3.60047568E-01 4.56313980E-15 3.63188676E-16 -3.85360325E-01 1.38728902E-01 1.06565926E-01 1.38728902E-01 1.06565926E-01 -8.35835230E-17 -2.51852459E-16 1.40769535E-16 6.45946700E-01 3.41999383E-16 2.61020483E-16 1.18750615E-16 5.05321246E-01 5.85177789E-16 2.89673685E-16 7.60595876E-18 -1.74255155E-16 -9.59634089E-17 -8.94387487E-02 1.57007033E-01 -5.90572914E-15 5.82719315E-18 -2.89638862E-01 1.07389306E+00 -2.09403773E-14 1.04515983E-16 -4.34491567E-01 -1.08063666E-01 -9.26349689E-01 -1.08063666E-01 -9.26349689E-01 1.86910304E-15 -6.75439606E-15 -4.22233837E-01 -6.20878475E-17 6.93941777E-15 -1.36879532E-14 -7.56766350E-01 -1.02529795E-16 3.73716600E-15 -9.62469834E-02 -1.24858115E+00 9.62469834E-02 1.24858115E+00 2.39481461E-15 -1.14810946E-14 -2.51894476E-01 1.32229968E-15 3.75498286E-14 2.04999523E-14 -4.35130134E-01 -1.79463024E-15 -2.34582830E-14 -9.76320894E-01 7.10899449E-01 9.76320894E-01 -7.10899449E-01 4.32736959E-02 -2.27432827E-01 5.68785042E-15 -3.63955758E-15 6.38072207E-01 2.67159853E-01 4.58691490E-14 3.67338168E-15 -2.82890053E-01 8.24356825E-01 -6.27099462E-01 8.24356825E-01 -6.27099462E-01 4.68241490E-17 -7.54339786E-17 -9.81285106E-16 -9.58540127E-01 -4.76506530E-15 -1.45483961E-15 4.07625295E-16 1.03956566E+00 4.71934712E-15 -2.80225893E-15 3.75020637E-15 -1.30359555E-16 8.06070717E-16 6.76547943E-02 -3.97566482E-01 -2.07302666E-14 3.22297996E-15 -7.25532129E-01 3.66512879E-02 3.52876580E-14 -3.34582758E-15 1.17041553E+00 5.28774092E-01 -8.28493968E-02 5.28774092E-01 -8.28493968E-02 3.24598828E-15 -4.00771123E-14 9.72688190E-01 -4.52352365E-16 -5.42904899E-15 4.71564142E-14 -1.71103251E+00 3.75284791E-16 7.67513161E-15 -9.14403175E-02 -8.62629127E-01 9.14403175E-02 8.62629127E-01 -5.89904380E-02 1.67603331E+00 1.72821826E-14 2.83983039E-16 -1.78464814E-01 -2.70881005E+00 -2.88640639E-14 -2.28906235E-16 7.89574074E-01 4.20637395E-01 6.15927459E-01 4.20637395E-01 6.15927459E-01 Alpha Orbital Energies R N= 13 -1.91335163E+01 -1.00640888E+00 -5.29577864E-01 -3.48527639E-01 -2.89601540E-01 5.28360883E-02 1.42459459E-01 8.22187831E-01 8.51105586E-01 8.90528682E-01 9.44562053E-01 1.07124514E+00 1.40864536E+00 Total SCF Density R N= 91 2.08398699E+00 -1.74565897E-01 5.11296972E-01 -8.60038720E-16 7.67326309E-17 5.25386777E-01 -1.82652725E-16 -3.79855817E-16 1.06506223E-16 8.34494279E-01 -3.92571872E-02 7.87609548E-02 1.35419053E-15 -1.92455673E-16 6.44740177E-01 -2.81103483E-01 5.65353448E-01 4.45154656E-15 1.07031057E-16 2.63300700E-01 6.77748042E-01 4.56634838E-16 -8.41881303E-16 2.41282404E-01 1.18807478E-16 -5.15318863E-15 -5.14986827E-16 1.10808268E-01 -4.00218361E-16 -3.04692669E-16 3.80910415E-16 6.52821183E-01 -8.36266899E-17 1.05178866E-16 2.29610428E-16 5.10699124E-01 -3.31839884E-02 8.59204616E-02 -5.53172196E-16 3.21344859E-16 4.43048878E-01 2.14538466E-01 -4.23242600E-15 2.95802253E-16 3.06477509E-01 -3.71261322E-02 8.23823419E-02 -2.72258727E-01 6.10292237E-16 -1.94627114E-01 3.38896696E-02 -1.25034057E-01 3.01354230E-16 -1.27043455E-01 2.22385944E-01 2.41436451E-02 -4.02925699E-02 -1.52131228E-01 1.45466999E-16 -1.17342942E-01 -7.58529261E-02 -6.98658399E-02 1.52097100E-17 -8.22618882E-02 1.08711701E-01 6.67841188E-02 -3.71261322E-02 8.23823419E-02 2.72258727E-01 -6.71511747E-17 -1.94627114E-01 3.38896696E-02 1.25034057E-01 7.98203652E-17 -1.27043455E-01 -5.97864209E-02 -4.89590150E-02 2.22385944E-01 2.41436451E-02 -4.02925699E-02 1.52131228E-01 -3.19720856E-17 -1.17342942E-01 -7.58529261E-02 6.98658399E-02 4.87411021E-17 -8.22618882E-02 -4.89590150E-02 -2.13182529E-02 1.08711701E-01 6.67841188E-02 Pure Switching I 1 Dipole_Data R N= 3 2.86627761E-14 2.33464701E-16 -2.39828431E+00 Quadrupole_Data R N= 6 -4.11428336E+00 -6.33071213E-16 -7.20147529E+00 -7.89480223E-15 -5.06814731E-16 -6.27754461E+00 Octapole_Data R N= 10 6.80254513E-14 2.74300539E-16 1.61102796E-14 1.08042959E-15 -1.20865161E+00 -1.50434423E-16 -4.15133029E-01 2.68792115E-14 1.98098432E-16 -1.40636565E+00 Hexadecapole_Data R N= 15 -6.08957718E+00 -4.21622254E-16 -2.13786673E+00 -4.73744391E-16 -5.19623533E+00 -1.65209546E-14 -1.34068441E-16 -6.15085057E-16 -1.44602677E-16 -1.82801635E+00 -1.57872778E-16 -1.96659446E+00 -5.16172468E-15 -2.23714913E-16 -6.36268043E+00 Cartesian Forces R N= 9 2.13101332E-15 -1.14861709E-16 1.04179967E-08 -4.68041296E-06 1.44752825E-16 -5.49206880E-09 4.68041296E-06 -2.98911157E-17 -5.49206725E-09 Current cartesian coordinates R N= 9 -3.51971818E-15 -1.97008623E-16 2.28742075E-01 -1.49488225E+00 1.43600786E-16 -8.50852356E-01 1.49488225E+00 1.43600786E-16 -8.50852356E-01 Jobname.Temp FREQ R 6-31G Number of atoms I 3 Charge I 0 Multiplicity I 1 Number of electrons I 10 Number of alpha electrons I 5 Number of beta electrons I 5 Atomic numbers I N= 3 8 1 1 Current cartesian coordinates R N= 9 -1.05917114E-15 -7.55890450E-17 2.15918886E-01 -1.49488225E+00 1.19285904E-16 -8.63675545E-01 1.49488225E+00 4.85426456E-16 -8.63675545E-01 Nuclear charges R N= 3 8.00000000E+00 1.00000000E+00 1.00000000E+00 Number of basis functions I 13 Number of contracted shells I 7 Number of primitive shells I 18 Highest angular momentum I 1 Largest degree of contraction I 6 Shell types I N= 7 0 -1 -1 0 0 0 0 Number of primitives per shell I N= 7 6 3 1 3 1 3 1 Shell to atom map I N= 7 1 1 1 2 2 3 3 Primitive exponents R N= 18 5.48467170E+03 8.25234950E+02 1.88046960E+02 5.29645000E+01 1.68975700E+01 5.79963530E+00 1.55396160E+01 3.59993360E+00 1.01376180E+00 2.70005800E-01 1.87311370E+01 2.82539370E+00 6.40121700E-01 1.61277800E-01 1.87311370E+01 2.82539370E+00 6.40121700E-01 1.61277800E-01 Contraction coefficients R N= 18 1.83109981E-03 1.39500985E-02 6.84450927E-02 2.32714275E-01 4.70192950E-01 3.58520862E-01 -1.10777504E-01 -1.48026305E-01 1.13076704E+00 1.00000000E+00 3.34945995E-02 2.34726947E-01 8.13757318E-01 1.00000000E+00 3.34945995E-02 2.34726947E-01 8.13757318E-01 1.00000000E+00 P(S=P) Contraction coefficients R N= 18 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 7.08742995E-02 3.39752798E-01 7.27158595E-01 1.00000000E+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 Coordinates of each shell R N= 21 -1.05917114E-15 -7.55890450E-17 2.15918886E-01 -1.05917114E-15 -7.55890450E-17 2.15918886E-01 -1.05917114E-15 -7.55890450E-17 2.15918886E-01 -1.49488225E+00 1.19285904E-16 -8.63675545E-01 -1.49488225E+00 1.19285904E-16 -8.63675545E-01 1.49488225E+00 4.85426456E-16 -8.63675545E-01 1.49488225E+00 4.85426456E-16 -8.63675545E-01 Orthonormalization Matrix R N= 91 1.52733146E+00 1.20264101E-16 2.57443492E-01 -5.86723864E-04 1.23947139E-16 -1.87692634E-16 -2.17217155E-02 -2.25901417E-17 4.00806546E-16 -2.58279773E-16 2.71474986E-16 -1.26550949E-16 -4.01958121E-16 4.01479586E-17 1.11169284E-17 -1.53824361E-16 -3.68564596E-15 4.00806546E-16 -5.02753254E-01 -2.58594370E-01 1.78433208E-16 1.58802526E-16 -6.63768592E-01 -2.58594370E-01 -6.63768592E-01 4.73848540E-16 -2.25901417E-17 -3.15877597E-01 6.42411006E-17 2.66975348E-16 -3.60858718E-01 1.24676428E-16 1.14743393E-16 3.00977998E-02 -4.57110178E-02 -4.07833972E-02 1.11622601E+00 -3.68564596E-15 1.70214815E+00 -2.58279773E-16 2.14984418E-15 -8.76732974E-17 -5.39027363E-17 6.00835249E-02 2.59344373E+00 -1.09535189E-01 -5.39027363E-17 -3.00142981E-01 5.39227179E-18 -3.29219669E-16 3.29860459E-02 1.13722791E+00 -3.60858718E-01 -1.05938363E-01 1.21428639E-02 1.12670432E-02 2.61428384E-17 2.71474986E-16 -2.56690822E-16 1.05938363E-01 1.58802526E-16 -9.50571295E-01 -1.87692634E-16 3.29860459E-02 -5.86723864E-04 -1.09535189E-01 5.59688623E-03 1.78433208E-16 1.24676428E-16 -1.54639009E-16 5.45164976E-17 1.30914396E-01 -4.38693419E-16 -8.76732974E-17 4.79360345E-02 1.21428639E-02 4.73848540E-16 5.59688623E-03 1.23947139E-16 1.30914396E-01 6.42411006E-17 1.12686703E-16 -4.79360345E-02 -4.38693419E-16 -2.17217155E-02 2.66975348E-16 1.17991070E-01 -4.07833972E-02 2.61428384E-17 -1.53824361E-16 1.02263207E+00 Overlap Matrix R N= 91 1.00000000E+00 2.33689906E-01 1.00000000E+00 -2.61372163E-32 -1.85251951E-32 1.00000000E+00 -1.35998367E-33 3.23689443E-32 2.42001802E-63 1.00000000E+00 -2.34055390E-17 -6.75913896E-17 -5.44939613E-48 -2.04757653E-48 1.00000000E+00 1.67279760E-01 7.63640773E-01 0.00000000E+00 0.00000000E+00 -2.04579428E-18 1.00000000E+00 0.00000000E+00 0.00000000E+00 5.01520641E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 1.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 5.01520641E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 1.00000000E+00 -1.37569360E-18 4.21493770E-19 0.00000000E+00 0.00000000E+00 5.01520641E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 1.00000000E+00 3.24542452E-02 2.36455392E-01 -2.24456688E-01 2.92604890E-17 -1.62101189E-01 4.17157252E-01 -4.70500724E-01 6.13351350E-17 -3.39792624E-01 1.00000000E+00 6.76412260E-02 3.73840223E-01 -1.19938731E-01 1.56353814E-17 -8.66189872E-02 6.75325092E-01 -3.92326876E-01 5.11442824E-17 -2.83335969E-01 6.58292049E-01 1.00000000E+00 3.24542452E-02 2.36455392E-01 2.24456688E-01 8.42365219E-17 -1.62101189E-01 4.17157252E-01 4.70500724E-01 1.76574576E-16 -3.39792624E-01 4.03951154E-02 2.03611741E-01 1.00000000E+00 6.76412260E-02 3.73840223E-01 1.19938731E-01 4.50118981E-17 -8.66189872E-02 6.75325092E-01 3.92326876E-01 1.47236653E-16 -2.83335969E-01 2.03611741E-01 4.86359960E-01 6.58292049E-01 1.00000000E+00 Kinetic Energy Matrix R N= 91 2.95401398E+01 -2.18540273E+00 1.71121096E+00 0.00000000E+00 0.00000000E+00 4.25187706E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 4.25187706E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 4.25187706E+00 1.31282499E-01 4.80047821E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 4.05008700E-01 0.00000000E+00 0.00000000E+00 5.47243224E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 6.75014500E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 5.47243224E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 6.75014500E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 5.47243224E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 6.75014500E-01 -2.30062995E-02 1.04145279E-02 -1.65197618E-01 2.15353934E-17 -1.19304667E-01 1.35420478E-01 -3.38723280E-01 4.41564423E-17 -2.44623794E-01 1.39567828E+00 2.05897801E-02 1.06370390E-01 -6.82555344E-02 8.89788729E-18 -4.92937118E-02 1.57740749E-01 -1.70863832E-01 2.22740490E-17 -1.23396770E-01 2.59735083E-01 2.41916700E-01 -2.30062995E-02 1.04145279E-02 1.65197618E-01 6.19971403E-17 -1.19304667E-01 1.35420478E-01 3.38723280E-01 1.27119719E-16 -2.44623794E-01 -4.13706839E-02 1.73601704E-02 1.39567828E+00 2.05897801E-02 1.06370390E-01 6.82555344E-02 2.56156716E-17 -4.92937118E-02 1.57740749E-01 1.70863832E-01 6.41236180E-17 -1.23396770E-01 1.73601704E-02 6.11192270E-02 2.59735083E-01 2.41916700E-01 Nuclear Attraction Matrix R N= 91 -6.25658216E+01 -5.17730845E+00 -1.16155184E+01 0.00000000E+00 0.00000000E+00 -1.27730731E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00 -1.26656089E+01 2.50389080E-02 1.70385870E-01 0.00000000E+00 0.00000000E+00 -1.27216583E+01 -5.49983693E+00 -7.85548349E+00 0.00000000E+00 0.00000000E+00 1.61406378E-01 -7.65817414E+00 0.00000000E+00 0.00000000E+00 -4.36380947E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 -5.47436706E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 -4.26466570E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 -5.23997351E+00 3.45031632E-03 1.09491594E-01 0.00000000E+00 0.00000000E+00 -4.31637548E+00 2.32261679E-01 0.00000000E+00 0.00000000E+00 -5.36222467E+00 -1.02426806E+00 -2.24578655E+00 1.93095293E+00 0.00000000E+00 1.41756088E+00 -2.94427903E+00 2.82244383E+00 0.00000000E+00 2.06599067E+00 -6.31707579E+00 -2.19512201E+00 -3.66393484E+00 9.93042638E-01 0.00000000E+00 7.89742417E-01 -4.46333194E+00 1.90001835E+00 0.00000000E+00 1.50113917E+00 -3.76883932E+00 -4.70705967E+00 -1.02426806E+00 -2.24578655E+00 -1.93095293E+00 0.00000000E+00 1.41756088E+00 -2.94427903E+00 -2.82244383E+00 0.00000000E+00 2.06599067E+00 -3.25984508E-01 -1.35395749E+00 -6.31707579E+00 -2.19512201E+00 -3.66393484E+00 -9.93042638E-01 0.00000000E+00 7.89742417E-01 -4.46333194E+00 -1.90001835E+00 0.00000000E+00 1.50113917E+00 -1.35395749E+00 -2.71442709E+00 -3.76883932E+00 -4.70705967E+00 Core Hamiltonian Matrix R N= 91 -3.30256818E+01 -7.36271118E+00 -9.90430748E+00 0.00000000E+00 0.00000000E+00 -8.52119605E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 -8.41373188E+00 2.50389080E-02 1.70385870E-01 0.00000000E+00 0.00000000E+00 -8.46978128E+00 -5.36855443E+00 -7.37543567E+00 0.00000000E+00 0.00000000E+00 1.61406378E-01 -7.25316544E+00 0.00000000E+00 0.00000000E+00 -3.81656625E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 -4.79935256E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 -3.71742247E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 -4.56495901E+00 3.45031632E-03 1.09491594E-01 0.00000000E+00 0.00000000E+00 -3.76913226E+00 2.32261679E-01 0.00000000E+00 0.00000000E+00 -4.68721017E+00 -1.04727436E+00 -2.23537203E+00 1.76575531E+00 2.15353934E-17 1.29825622E+00 -2.80885855E+00 2.48372055E+00 4.41564423E-17 1.82136688E+00 -4.92139750E+00 -2.17453223E+00 -3.55756445E+00 9.24787104E-01 8.89788729E-18 7.40448705E-01 -4.30559119E+00 1.72915452E+00 2.22740490E-17 1.37774240E+00 -3.50910424E+00 -4.46514297E+00 -1.04727436E+00 -2.23537203E+00 -1.76575531E+00 6.19971403E-17 1.29825622E+00 -2.80885855E+00 -2.48372055E+00 1.27119719E-16 1.82136688E+00 -3.67355192E-01 -1.33659732E+00 -4.92139750E+00 -2.17453223E+00 -3.55756445E+00 -9.24787104E-01 2.56156716E-17 7.40448705E-01 -4.30559119E+00 -1.72915452E+00 6.41236180E-17 1.37774240E+00 -1.33659732E+00 -2.65330786E+00 -3.50910424E+00 -4.46514297E+00 Multipole Matrix (1,0,0) R N= 91 -1.05917114E-15 -2.47517605E-16 -1.05917114E-15 7.27077806E-02 4.96075284E-01 -1.05917114E-15 0.00000000E+00 0.00000000E+00 0.00000000E+00 -1.05917114E-15 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 -1.05917114E-15 -1.77177894E-16 -8.08826269E-16 4.82583279E-01 0.00000000E+00 0.00000000E+00 -1.05917114E-15 1.00190010E-02 3.29089724E-01 -5.31196190E-16 0.00000000E+00 0.00000000E+00 9.62240114E-01 -1.05917114E-15 0.00000000E+00 0.00000000E+00 0.00000000E+00 -5.31196190E-16 0.00000000E+00 0.00000000E+00 0.00000000E+00 -1.05917114E-15 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 -5.31196190E-16 0.00000000E+00 0.00000000E+00 0.00000000E+00 -1.05917114E-15 -3.51873261E-03 -1.51687183E-01 2.41621477E-01 -1.76128623E-17 9.75741018E-02 -4.52734671E-01 7.34773745E-01 -6.71105765E-17 3.71788191E-01 -1.49488225E+00 -1.92380849E-03 -8.09965836E-02 2.71485318E-01 -2.96494367E-18 1.64255934E-02 -3.77512658E-01 1.03296203E+00 -2.85901031E-17 1.58387295E-01 -9.84069100E-01 -1.49488225E+00 3.51873261E-03 1.51687183E-01 2.41621477E-01 5.07047666E-17 -9.75741018E-02 4.52734671E-01 7.34773745E-01 1.93201199E-16 -3.71788191E-01 1.61840628E-16 1.90262182E-01 1.49488225E+00 1.92380849E-03 8.09965836E-02 2.71485318E-01 8.53562437E-18 -1.64255934E-02 3.77512658E-01 1.03296203E+00 8.23065823E-17 -1.58387295E-01 -1.90262182E-01 1.94388489E-15 9.84069100E-01 1.49488225E+00 Multipole Matrix (0,1,0) R N= 91 -7.55890450E-17 -1.76643968E-17 -7.55890450E-17 0.00000000E+00 0.00000000E+00 -7.55890450E-17 7.27077806E-02 4.96075284E-01 0.00000000E+00 -7.55890450E-17 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 -7.55890450E-17 -1.26445173E-17 -5.77228768E-17 0.00000000E+00 4.82583279E-01 0.00000000E+00 -7.55890450E-17 0.00000000E+00 0.00000000E+00 -3.79094663E-17 0.00000000E+00 0.00000000E+00 0.00000000E+00 -7.55890450E-17 1.00190010E-02 3.29089724E-01 0.00000000E+00 -3.79094663E-17 0.00000000E+00 9.62240114E-01 0.00000000E+00 -7.55890450E-17 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 -3.79094663E-17 0.00000000E+00 0.00000000E+00 0.00000000E+00 -7.55890450E-17 -1.99447848E-18 1.90071689E-18 -6.46395632E-19 1.06513524E-01 -4.66822805E-19 2.74866089E-17 -3.15458761E-17 2.19969712E-01 -2.27822306E-17 1.19285904E-16 -4.86214530E-18 -1.76993971E-17 6.10111049E-18 2.48741288E-01 4.40618310E-18 -1.83409868E-18 1.06551084E-18 8.13647865E-01 7.69505138E-19 7.85249620E-17 1.19285904E-16 -1.13263756E-18 3.90533615E-17 3.37382999E-17 1.06513524E-01 -2.43655851E-17 1.38374622E-16 1.57636498E-16 2.19969712E-01 -1.13844074E-16 1.22137128E-17 8.48636655E-17 4.85426456E-16 -4.39094812E-18 2.13904429E-18 -5.30429797E-19 2.48741288E-01 3.83073018E-19 9.06298350E-17 5.26509684E-17 8.13647865E-01 -3.80241937E-17 3.82628711E-17 1.47053939E-16 3.19552377E-16 4.85426456E-16 Multipole Matrix (0,0,1) R N= 91 2.15918886E-01 5.04580642E-02 2.15918886E-01 0.00000000E+00 0.00000000E+00 2.15918886E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 2.15918886E-01 7.27077806E-02 4.96075284E-01 0.00000000E+00 0.00000000E+00 2.15918886E-01 3.61188594E-02 1.64884465E-01 0.00000000E+00 0.00000000E+00 4.82583279E-01 2.15918886E-01 0.00000000E+00 0.00000000E+00 1.08287778E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 2.15918886E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 1.08287778E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 2.15918886E-01 1.00190010E-02 3.29089724E-01 0.00000000E+00 0.00000000E+00 1.08287778E-01 9.62240114E-01 0.00000000E+00 0.00000000E+00 2.15918886E-01 4.46627823E-03 -5.84923318E-02 4.91096637E-02 -6.40200470E-18 1.41980210E-01 -2.36889964E-01 2.70198199E-01 -3.52234165E-17 4.15105128E-01 -8.63675545E-01 1.32156560E-02 2.22239482E-02 -9.47144387E-03 1.23471072E-18 2.41901072E-01 -1.26821793E-01 7.36765131E-02 -9.60457368E-18 8.66856573E-01 -5.68550744E-01 -8.63675545E-01 4.46627823E-03 -5.84923318E-02 -4.91096637E-02 -1.84304032E-17 1.41980210E-01 -2.36889964E-01 -2.70198199E-01 -1.01402888E-16 4.15105128E-01 -3.48882733E-02 -1.75854482E-01 -8.63675545E-01 1.32156560E-02 2.22239482E-02 9.47144387E-03 3.55454540E-18 2.41901072E-01 -1.26821793E-01 -7.36765131E-02 -2.76501149E-17 8.66856573E-01 -1.75854482E-01 -4.20057203E-01 -5.68550744E-01 -8.63675545E-01 Multipole Matrix (2,0,0) R N= 91 1.71624626E-02 1.72086514E-02 2.87776723E-01 -1.54019966E-16 -1.05085725E-15 5.19257961E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 1.73085987E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 1.73085987E-01 9.64068461E-03 3.16663334E-01 -1.02227656E-15 0.00000000E+00 0.00000000E+00 9.25906036E-01 -2.12236733E-17 -6.97124678E-16 5.34232956E-01 0.00000000E+00 0.00000000E+00 -2.03835392E-15 2.77771811E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 1.78077652E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 9.25906036E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 1.78077652E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 9.25906036E-01 2.29567457E-03 1.70502781E-01 -2.67891960E-01 1.95953760E-17 -1.08557097E-01 7.07028772E-01 -1.26949690E+00 1.04599961E-16 -5.79476922E-01 2.53637596E+00 4.05812320E-03 1.84818947E-01 -1.46057943E-01 6.74230761E-18 -3.73519418E-02 9.93957505E-01 -1.48710746E+00 7.52752177E-17 -4.17019768E-01 1.84763672E+00 3.78479329E+00 2.29567457E-03 1.70502781E-01 2.67891960E-01 5.64121234E-17 -1.08557097E-01 7.07028772E-01 1.26949690E+00 3.01127466E-16 -5.79476922E-01 1.74296611E-02 2.99517057E-01 2.53637596E+00 4.05812320E-03 1.84818947E-01 1.46057943E-01 1.94100838E-17 -3.73519418E-02 9.93957505E-01 1.48710746E+00 2.16705966E-16 -4.17019768E-01 2.99517057E-01 7.53916471E-01 1.84763672E+00 3.78479329E+00 Multipole Matrix (1,1,0) R N= 91 8.00617351E-32 1.87096193E-32 8.00617351E-32 -5.49591170E-18 -3.74978570E-17 8.00617351E-32 -7.70099830E-17 -5.25428625E-16 1.73085987E-01 8.00617351E-32 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 8.00617351E-32 1.33927078E-32 6.11384053E-32 -3.64780092E-17 -5.11138282E-16 0.00000000E+00 8.00617351E-32 -7.57326714E-19 -2.48755780E-17 4.01526127E-32 1.78077652E-01 0.00000000E+00 -7.27348112E-17 8.00617351E-32 -1.06118367E-17 -3.48562339E-16 1.78077652E-01 4.01526127E-32 0.00000000E+00 -1.01917696E-15 9.25906036E-01 8.00617351E-32 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 4.01526127E-32 0.00000000E+00 0.00000000E+00 0.00000000E+00 8.00617351E-32 2.03100633E-19 -1.47024319E-18 1.33143928E-18 -5.87880905E-02 1.24144857E-18 -3.03547074E-17 4.90591153E-17 -2.33556236E-01 2.54498845E-17 -1.78318380E-16 1.36511108E-19 3.92718220E-18 -1.37790083E-17 -4.71689107E-02 -8.13115862E-19 1.02527727E-18 -2.80539600E-18 -4.54836303E-01 -4.30160131E-19 -1.17385572E-16 -1.78318380E-16 -8.49642519E-20 2.57752795E-17 3.81481868E-17 5.87880905E-02 -1.74314539E-17 1.51684162E-16 2.45586621E-16 2.33556236E-01 -1.26067869E-16 2.78746013E-19 7.97159548E-17 7.25655393E-16 -1.19774815E-19 1.97402233E-19 -1.11123216E-18 4.71689107E-02 8.06852074E-21 5.06628738E-17 1.38625352E-16 4.54836303E-01 -2.12558583E-17 -3.53379382E-17 5.87745610E-31 4.77693176E-16 7.25655393E-16 Multipole Matrix (0,2,0) R N= 91 1.71624626E-02 1.72086514E-02 2.87776723E-01 0.00000000E+00 0.00000000E+00 1.73085987E-01 -1.09918234E-17 -7.49957140E-17 0.00000000E+00 5.19257961E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 1.73085987E-01 9.64068461E-03 3.16663334E-01 0.00000000E+00 -7.29560183E-17 0.00000000E+00 9.25906036E-01 0.00000000E+00 0.00000000E+00 1.78077652E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 9.25906036E-01 -1.51465343E-18 -4.97511560E-17 0.00000000E+00 5.34232956E-01 0.00000000E+00 -1.45469622E-16 0.00000000E+00 2.77771811E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 1.78077652E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 9.25906036E-01 1.81334619E-03 7.12699399E-02 -5.87880905E-02 6.88858285E-18 -4.24563842E-02 2.11663680E-01 -2.33556236E-01 5.80855554E-17 -1.68672824E-01 3.01703015E-01 3.98979209E-03 1.67979053E-01 -4.71689107E-02 -1.91572166E-17 -3.40650866E-02 7.82924614E-01 -4.54836303E-01 5.48735668E-17 -3.28479878E-01 3.76569287E-01 1.55012035E+00 1.81334619E-03 7.12699399E-02 5.87880905E-02 5.00853710E-17 -4.24563842E-02 2.11663680E-01 2.33556236E-01 2.29699893E-16 -1.68672824E-01 1.51535271E-02 1.18330054E-01 3.01703015E-01 3.98979209E-03 1.67979053E-01 4.71689107E-02 1.55019367E-17 -3.40650866E-02 7.82924614E-01 4.54836303E-01 3.89081860E-16 -3.28479878E-01 1.18330054E-01 7.53916471E-01 3.76569287E-01 1.55012035E+00 Multipole Matrix (1,0,1) R N= 91 -2.28695053E-16 -5.34437255E-17 -2.28695053E-16 1.56989830E-02 1.07112023E-01 -2.28695053E-16 0.00000000E+00 0.00000000E+00 0.00000000E+00 -2.28695053E-16 -7.70099830E-17 -5.25428625E-16 1.73085987E-01 0.00000000E+00 -2.28695053E-16 -3.82560535E-17 -1.74640867E-16 1.04198844E-01 0.00000000E+00 -5.11138282E-16 -2.28695053E-16 2.16329153E-03 7.10566867E-02 -1.14695290E-16 0.00000000E+00 1.78077652E-01 2.07765814E-01 -2.28695053E-16 0.00000000E+00 0.00000000E+00 0.00000000E+00 -1.14695290E-16 0.00000000E+00 0.00000000E+00 0.00000000E+00 -2.28695053E-16 -1.06118367E-17 -3.48562339E-16 1.78077652E-01 0.00000000E+00 -1.14695290E-16 -1.01917696E-15 9.25906036E-01 0.00000000E+00 -2.28695053E-16 -4.11426345E-04 3.89131977E-02 -5.63864571E-02 4.81403213E-18 -8.54575127E-02 2.59995545E-01 -4.20825393E-01 3.90625579E-17 -4.49960244E-01 1.29109324E+00 -3.66038300E-04 -5.32702811E-03 2.12668657E-02 -2.11708277E-19 -4.59960607E-02 7.08944964E-02 -1.93983756E-01 5.36904105E-18 -4.84580438E-01 8.49916416E-01 1.29109324E+00 4.11426345E-04 -3.89131977E-02 -5.63864571E-02 -1.38588703E-17 8.54575127E-02 -2.59995545E-01 -4.20825393E-01 -1.12455196E-16 4.49960244E-01 -1.38811459E-16 -1.64324794E-01 -1.29109324E+00 3.66038300E-04 5.32702811E-03 2.12668657E-02 6.09476106E-19 4.59960607E-02 -7.08944964E-02 -1.93983756E-01 -1.54566571E-17 4.84580438E-01 1.64324794E-01 -1.67888584E-15 -8.49916416E-01 -1.29109324E+00 Multipole Matrix (0,1,1) R N= 91 -1.63211024E-17 -3.81407689E-18 -1.63211024E-17 0.00000000E+00 0.00000000E+00 -1.63211024E-17 1.56989830E-02 1.07112023E-01 0.00000000E+00 -1.63211024E-17 -5.49591170E-18 -3.74978570E-17 0.00000000E+00 1.73085987E-01 -1.63211024E-17 -2.73019009E-18 -1.24634593E-17 0.00000000E+00 1.04198844E-01 -3.64780092E-17 -1.63211024E-17 0.00000000E+00 0.00000000E+00 -8.18536974E-18 0.00000000E+00 0.00000000E+00 0.00000000E+00 -1.63211024E-17 2.16329153E-03 7.10566867E-02 0.00000000E+00 -8.18536974E-18 1.78077652E-01 2.07765814E-01 0.00000000E+00 -1.63211024E-17 -7.57326714E-19 -2.48755780E-17 0.00000000E+00 1.78077652E-01 -8.18536974E-18 -7.27348112E-17 0.00000000E+00 9.25906036E-01 -1.63211024E-17 -2.83967590E-19 -6.51399584E-19 1.10187955E-18 -1.94581026E-02 4.08212808E-19 -1.59870982E-17 1.86385341E-17 -1.21177209E-01 2.72800488E-17 -1.03024318E-16 -9.51241546E-19 -9.85448160E-19 5.04229120E-19 1.96428553E-02 -1.22889600E-17 3.44432166E-19 -2.00096217E-19 -1.52797938E-01 -2.35427429E-18 -6.78200894E-17 -1.03024318E-16 -1.83197198E-19 -1.01823842E-17 -1.01467178E-17 -1.94581026E-02 2.13392667E-17 -7.96676406E-17 -9.20311720E-17 -1.21177209E-01 1.37488523E-16 -1.05486850E-17 -7.32946726E-17 -4.19250959E-16 -8.61588020E-19 3.19297426E-19 -1.06461290E-19 1.96428553E-02 -1.02317425E-18 -1.70197114E-17 -9.88751982E-18 -1.52797938E-01 1.16333702E-16 -3.30467061E-17 -1.27006891E-16 -2.75989573E-16 -4.19250959E-16 Multipole Matrix (0,0,2) R N= 91 6.37834280E-02 2.81035005E-02 3.34397689E-01 0.00000000E+00 0.00000000E+00 2.19706952E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 2.19706952E-01 3.13979660E-02 2.14224046E-01 0.00000000E+00 0.00000000E+00 5.65878926E-01 1.74394285E-02 3.52265004E-01 0.00000000E+00 0.00000000E+00 2.08397688E-01 9.72527002E-01 0.00000000E+00 0.00000000E+00 2.01459028E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 9.72527002E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 2.01459028E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 9.72527002E-01 4.32658305E-03 1.42113373E-01 0.00000000E+00 0.00000000E+00 5.57614332E-01 4.15531627E-01 0.00000000E+00 0.00000000E+00 2.82433907E+00 2.48057053E-03 8.67432040E-02 -7.48538088E-02 9.75804760E-18 -9.29751488E-02 3.48281789E-01 -3.91619350E-01 5.10520482E-17 -5.25179416E-01 1.04763846E+00 6.57895128E-03 1.68930478E-01 -4.80411244E-02 6.26270841E-18 4.59071693E-03 8.06740947E-01 -4.68672287E-01 6.10967773E-17 -6.44068014E-01 8.67612661E-01 2.29605580E+00 2.48057053E-03 8.67432040E-02 7.48538088E-02 2.80919431E-17 -9.29751488E-02 3.48281789E-01 3.91619350E-01 1.46971125E-16 -5.25179416E-01 4.52856756E-02 2.70211270E-01 1.04763846E+00 6.57895128E-03 1.68930478E-01 4.80411244E-02 1.80293902E-17 4.59071693E-03 8.06740947E-01 4.68672287E-01 1.75888381E-16 -6.44068014E-01 2.70211270E-01 1.11670961E+00 8.67612661E-01 2.29605580E+00 Number of independent functions I 13 Alpha MO coefficients R N= 169 -9.95042246E-01 -2.78501813E-02 1.70063665E-16 3.58735980E-16 2.13472417E-03 1.29937269E-02 -3.52340477E-16 -5.19086623E-16 -2.57422921E-03 -1.16100841E-04 -3.01017440E-03 -1.16100841E-04 -3.01017440E-03 2.10407845E-01 -4.65903312E-01 -1.27474595E-15 -3.91725792E-17 1.44499203E-01 -4.57242751E-01 4.54603410E-15 3.10208839E-17 6.87717095E-02 -1.46301602E-01 -1.05294794E-03 -1.46301602E-01 -1.05294794E-03 -3.57850341E-16 3.82616468E-16 5.12536232E-01 6.46270285E-17 4.86078760E-16 3.16655631E-15 2.35380827E-01 -1.87578216E-17 -3.18795688E-16 -2.65599494E-01 -1.48410218E-01 2.65599494E-01 1.48410218E-01 -8.72522832E-02 1.94440113E-01 -2.42582205E-15 1.11100986E-15 5.49076963E-01 3.60047567E-01 1.03779412E-15 6.71142230E-16 3.85360325E-01 -1.38728902E-01 -1.06565926E-01 -1.38728902E-01 -1.06565926E-01 1.17370648E-17 1.01876405E-17 -2.36546518E-17 6.45946700E-01 -7.87662894E-16 -3.02462911E-16 3.32948644E-16 5.05321246E-01 -9.22796045E-16 2.72196874E-16 -1.72324266E-16 -1.35306938E-16 -1.97610190E-16 -8.94387487E-02 1.57007033E-01 -8.04145018E-15 -2.59167057E-16 -2.89638861E-01 1.07389306E+00 -1.38572868E-14 2.47598793E-18 -4.34491568E-01 -1.08063665E-01 -9.26349689E-01 -1.08063665E-01 -9.26349689E-01 1.11211518E-15 -5.20803055E-15 -4.22233837E-01 -1.32780658E-16 4.51799953E-15 -7.28164713E-15 -7.56766350E-01 1.69159568E-17 1.33292973E-15 -9.62469837E-02 -1.24858115E+00 9.62469837E-02 1.24858115E+00 1.57953695E-15 -9.25403463E-15 2.51894475E-01 -7.46275049E-15 1.19423866E-14 1.16877771E-14 4.35130136E-01 7.74645374E-15 -6.79843848E-15 9.76320894E-01 -7.10899449E-01 -9.76320894E-01 7.10899449E-01 -4.32736956E-02 2.27432825E-01 1.02839929E-14 3.04438647E-16 -6.38072211E-01 -2.67159853E-01 -8.22097264E-16 -8.73210214E-17 2.82890058E-01 -8.24356823E-01 6.27099462E-01 -8.24356823E-01 6.27099462E-01 5.22442210E-16 -3.28537416E-15 3.67080883E-15 9.58540127E-01 -2.97479510E-15 2.46623385E-15 2.07663384E-16 -1.03956566E+00 4.86518462E-15 1.01172835E-14 -8.50898655E-15 -5.19281512E-15 6.39631365E-15 -6.76547946E-02 3.97566484E-01 -3.25004707E-15 4.94066851E-15 7.25532126E-01 -3.66512913E-02 5.80405380E-15 -4.98255361E-15 -1.17041553E+00 -5.28774096E-01 8.28494001E-02 -5.28774096E-01 8.28494001E-02 -4.32280169E-16 9.76154044E-16 9.72688190E-01 -1.76342761E-15 7.82333519E-15 2.50834624E-15 -1.71103251E+00 2.21523713E-15 -7.35287735E-15 -9.14403166E-02 -8.62629128E-01 9.14403166E-02 8.62629128E-01 5.89904379E-02 -1.67603331E+00 1.23837572E-15 -1.05720112E-15 1.78464815E-01 2.70881005E+00 -4.74446871E-15 1.79928155E-15 -7.89574075E-01 -4.20637396E-01 -6.15927459E-01 -4.20637396E-01 -6.15927459E-01 Alpha Orbital Energies R N= 13 -1.91335163E+01 -1.00640888E+00 -5.29577864E-01 -3.48527640E-01 -2.89601540E-01 5.28360887E-02 1.42459460E-01 8.22187832E-01 8.51105587E-01 8.90528683E-01 9.44562053E-01 1.07124514E+00 1.40864536E+00 Total SCF Density R N= 91 2.08398699E+00 -1.74565897E-01 5.11296972E-01 -8.18379662E-16 6.27199486E-16 5.25386777E-01 -9.09112602E-16 4.61730654E-16 3.56880987E-17 8.34494280E-01 -3.92571871E-02 7.87609546E-02 -2.53333352E-15 1.92694132E-16 6.44740176E-01 -2.81103483E-01 5.65353448E-01 2.66928323E-15 4.54428344E-16 2.63300700E-01 6.77748043E-01 2.26466776E-15 -3.63270041E-15 2.41282405E-01 4.60558083E-16 2.68077724E-15 -1.92843492E-15 1.10808268E-01 9.40824906E-16 2.71297853E-16 -4.31345227E-17 6.52821183E-01 -5.22793427E-17 1.35746496E-16 3.27661585E-16 5.10699124E-01 -3.31839885E-02 8.59204617E-02 -2.37262831E-15 -3.43110749E-16 4.43048878E-01 2.14538466E-01 1.27686366E-15 -4.08414504E-16 3.06477510E-01 -3.71261322E-02 8.23823419E-02 -2.72258727E-01 2.04399009E-17 -1.94627114E-01 3.38896695E-02 -1.25034057E-01 8.98879360E-17 -1.27043455E-01 2.22385943E-01 2.41436452E-02 -4.02925699E-02 -1.52131228E-01 -4.80676016E-16 -1.17342943E-01 -7.58529263E-02 -6.98658399E-02 -3.08572552E-16 -8.22618884E-02 1.08711700E-01 6.67841188E-02 -3.71261322E-02 8.23823419E-02 2.72258727E-01 -4.37351960E-16 -1.94627114E-01 3.38896695E-02 1.25034057E-01 -3.41881004E-16 -1.27043455E-01 -5.97864207E-02 -4.89590147E-02 2.22385943E-01 2.41436452E-02 -4.02925699E-02 1.52131228E-01 -4.74977489E-16 -1.17342943E-01 -7.58529263E-02 6.98658399E-02 -3.45262991E-16 -8.22618884E-02 -4.89590147E-02 -2.13182527E-02 1.08711700E-01 6.67841188E-02 Pure Switching I 1 Dipole_Data R N= 3 3.14963395E-14 1.95860034E-15 -2.39828431E+00 Quadrupole_Data R N= 6 -4.11428336E+00 -3.99230529E-16 -7.20147529E+00 -1.01526745E-14 2.47693785E-16 -6.24499635E+00 Octapole_Data R N= 10 5.09390289E-14 1.48300034E-15 7.24661903E-15 2.33508616E-15 -1.18073316E+00 -3.39883863E-16 -3.66265695E-01 1.10408775E-14 1.17872659E-15 -1.27890361E+00 Hexadecapole_Data R N= 15 -6.08957717E+00 -4.52459733E-16 -2.13786673E+00 -7.48186867E-16 -5.19623533E+00 -1.75340949E-14 -1.31904706E-17 -1.55675323E-15 7.35606676E-16 -1.81180261E+00 -1.70335174E-16 -1.96129210E+00 -6.66995130E-15 6.85836134E-16 -6.32623886E+00 Cartesian Force Constants R N= 45 6.60686907E-01 1.05950749E-16 -8.78193139E-04 3.36362882E-15 2.10896410E-15 3.66405845E-01 -3.30343454E-01 -4.47738206E-16 -1.66117665E-01 3.61076016E-01 -4.80676490E-16 4.39096570E-04 -1.02288144E-15 4.03379510E-16 -4.08506988E-04 -2.38976531E-01 -1.12893183E-15 -1.83202923E-01 2.02547098E-01 1.07734055E-15 1.77928875E-01 -3.30343454E-01 3.46489054E-16 1.66117665E-01 -3.07325626E-02 7.56785045E-17 3.64294330E-02 3.61076016E-01 3.71980121E-16 4.39096570E-04 -1.08586385E-15 4.83655329E-17 -3.05895821E-05 4.91815947E-17 -4.21399321E-16 -4.08506988E-04 2.38976531E-01 -9.83967661E-16 -1.83202923E-01 -3.64294330E-02 -5.79537263E-17 5.27404761E-03 -2.02547098E-01 1.04062195E-15 1.77928875E-01