Title Card Required Freq RAM1 ZDO Number of atoms I 23 Info1-9 I N= 9 127 126 1002 0 1 100 6 8 502 Charge I 0 Multiplicity I 1 Number of electrons I 68 Number of alpha electrons I 34 Number of beta electrons I 34 Number of basis functions I 62 Number of independent functions I 62 Number of point charges in /Mol/ I 0 Number of translation vectors I 0 Atomic numbers I N= 23 6 1 6 1 6 1 1 6 1 6 1 6 1 1 6 6 1 6 1 6 8 8 8 Nuclear charges R N= 23 4.00000000E+00 1.00000000E+00 4.00000000E+00 1.00000000E+00 4.00000000E+00 1.00000000E+00 1.00000000E+00 4.00000000E+00 1.00000000E+00 4.00000000E+00 1.00000000E+00 4.00000000E+00 1.00000000E+00 1.00000000E+00 4.00000000E+00 4.00000000E+00 1.00000000E+00 4.00000000E+00 1.00000000E+00 4.00000000E+00 6.00000000E+00 6.00000000E+00 6.00000000E+00 Current cartesian coordinates R N= 69 -1.59800573E+00 -1.32011193E+00 2.71398697E+00 -6.58543821E-01 -2.37087660E+00 4.24354242E+00 -2.46206326E+00 -2.56478646E+00 5.61101371E-01 -2.17960889E+00 -4.61913300E+00 3.63298963E-01 -4.53801081E+00 -1.43925819E+00 -9.74290664E-01 -4.44479526E+00 -2.16318310E+00 -2.96581954E+00 -6.37952997E+00 -2.13498150E+00 -1.65911923E-01 -1.59836298E+00 1.32008762E+00 2.71413255E+00 -6.59012777E-01 2.37088219E+00 4.24373627E+00 -2.46289615E+00 2.56493412E+00 5.61320644E-01 -2.18045695E+00 4.61938341E+00 3.63446868E-01 -4.53792230E+00 1.43879083E+00 -9.74894392E-01 -4.44362503E+00 2.16174486E+00 -2.96686834E+00 -6.37961780E+00 2.13572977E+00 -1.68070412E-01 5.23950421E-01 1.33083474E+00 -1.93995346E+00 5.23923543E-01 -1.33089028E+00 -1.93981645E+00 -2.68746597E-01 2.54938514E+00 -3.40713245E+00 2.77154707E+00 2.15344193E+00 -4.59604812E-01 -2.68946246E-01 -2.54938878E+00 -3.40680311E+00 2.77162883E+00 -2.15327942E+00 -4.59546139E-01 4.07127050E+00 9.93201382E-05 4.13465997E-01 3.68307011E+00 4.19422744E+00 1.09035321E-01 3.68317833E+00 -4.19409427E+00 1.08994627E-01 Force Field I 0 Int Atom Types I N= 23 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 MM charges R N= 23 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 Integer atomic weights I N= 23 12 1 12 1 12 1 1 12 1 12 1 12 1 1 12 12 1 12 1 12 16 16 16 Real atomic weights R N= 23 1.20000000E+01 1.00782504E+00 1.20000000E+01 1.00782504E+00 1.20000000E+01 1.00782504E+00 1.00782504E+00 1.20000000E+01 1.00782504E+00 1.20000000E+01 1.00782504E+00 1.20000000E+01 1.00782504E+00 1.00782504E+00 1.20000000E+01 1.20000000E+01 1.00782504E+00 1.20000000E+01 1.00782504E+00 1.20000000E+01 1.59949146E+01 1.59949146E+01 1.59949146E+01 Atom fragment info I N= 23 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Atom residue num I N= 23 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Nuclear spins I N= 23 0 1 0 1 0 1 1 0 1 0 1 0 1 1 0 0 1 0 1 0 0 0 0 Nuclear ZEff R N= 23 -3.90000000E+00 -1.00000000E+00 -3.90000000E+00 -1.00000000E+00 -3.90000000E+00 -1.00000000E+00 -1.00000000E+00 -3.90000000E+00 -1.00000000E+00 -3.90000000E+00 -1.00000000E+00 -3.90000000E+00 -1.00000000E+00 -1.00000000E+00 -3.90000000E+00 -3.90000000E+00 -1.00000000E+00 -3.90000000E+00 -1.00000000E+00 -3.90000000E+00 -6.00000000E+00 -6.00000000E+00 -6.00000000E+00 Nuclear QMom R N= 23 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 Nuclear GFac R N= 23 0.00000000E+00 2.79284600E+00 0.00000000E+00 2.79284600E+00 0.00000000E+00 2.79284600E+00 2.79284600E+00 0.00000000E+00 2.79284600E+00 0.00000000E+00 2.79284600E+00 0.00000000E+00 2.79284600E+00 2.79284600E+00 0.00000000E+00 0.00000000E+00 2.79284600E+00 0.00000000E+00 2.79284600E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 MicOpt I N= 23 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 Number of contracted shells I 23 Number of primitive shells I 138 Pure/Cartesian d shells I 0 Pure/Cartesian f shells I 0 Highest angular momentum I 1 Largest degree of contraction I 6 Shell types I N= 23 -1 0 -1 0 -1 0 0 -1 0 -1 0 -1 0 0 -1 -1 0 -1 0 -1 -1 -1 -1 Number of primitives per shell I N= 23 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 Shell to atom map I N= 23 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 Primitive exponents R N= 138 8.93222378E+00 2.57202569E+00 1.01164210E+00 4.62354822E-01 2.30098279E-01 1.18169746E-01 3.85419101E+00 1.10981078E+00 4.36516367E-01 1.99502816E-01 9.92857703E-02 5.09894047E-02 8.93222378E+00 2.57202569E+00 1.01164210E+00 4.62354822E-01 2.30098279E-01 1.18169746E-01 3.85419101E+00 1.10981078E+00 4.36516367E-01 1.99502816E-01 9.92857703E-02 5.09894047E-02 8.93222378E+00 2.57202569E+00 1.01164210E+00 4.62354822E-01 2.30098279E-01 1.18169746E-01 3.85419101E+00 1.10981078E+00 4.36516367E-01 1.99502816E-01 9.92857703E-02 5.09894047E-02 3.85419101E+00 1.10981078E+00 4.36516367E-01 1.99502816E-01 9.92857703E-02 5.09894047E-02 8.93222378E+00 2.57202569E+00 1.01164210E+00 4.62354822E-01 2.30098279E-01 1.18169746E-01 3.85419101E+00 1.10981078E+00 4.36516367E-01 1.99502816E-01 9.92857703E-02 5.09894047E-02 8.93222378E+00 2.57202569E+00 1.01164210E+00 4.62354822E-01 2.30098279E-01 1.18169746E-01 3.85419101E+00 1.10981078E+00 4.36516367E-01 1.99502816E-01 9.92857703E-02 5.09894047E-02 8.93222378E+00 2.57202569E+00 1.01164210E+00 4.62354822E-01 2.30098279E-01 1.18169746E-01 3.85419101E+00 1.10981078E+00 4.36516367E-01 1.99502816E-01 9.92857703E-02 5.09894047E-02 3.85419101E+00 1.10981078E+00 4.36516367E-01 1.99502816E-01 9.92857703E-02 5.09894047E-02 8.93222378E+00 2.57202569E+00 1.01164210E+00 4.62354822E-01 2.30098279E-01 1.18169746E-01 8.93222378E+00 2.57202569E+00 1.01164210E+00 4.62354822E-01 2.30098279E-01 1.18169746E-01 3.85419101E+00 1.10981078E+00 4.36516367E-01 1.99502816E-01 9.92857703E-02 5.09894047E-02 8.93222378E+00 2.57202569E+00 1.01164210E+00 4.62354822E-01 2.30098279E-01 1.18169746E-01 3.85419101E+00 1.10981078E+00 4.36516367E-01 1.99502816E-01 9.92857703E-02 5.09894047E-02 8.93222378E+00 2.57202569E+00 1.01164210E+00 4.62354822E-01 2.30098279E-01 1.18169746E-01 2.63763252E+01 7.59503878E+00 2.98731891E+00 1.36530627E+00 6.79466524E-01 3.48948228E-01 2.63763252E+01 7.59503878E+00 2.98731891E+00 1.36530627E+00 6.79466524E-01 3.48948228E-01 2.63763252E+01 7.59503878E+00 2.98731891E+00 1.36530627E+00 6.79466524E-01 3.48948228E-01 Contraction coefficients R N= 138 -9.73739553E-03 -7.26587678E-02 -1.71615520E-01 1.28977624E-01 7.28861451E-01 3.01331742E-01 -9.73739553E-03 -7.26587678E-02 -1.71615520E-01 1.28977624E-01 7.28861451E-01 3.01331742E-01 -9.73739553E-03 -7.26587678E-02 -1.71615520E-01 1.28977624E-01 7.28861451E-01 3.01331742E-01 -9.73739553E-03 -7.26587678E-02 -1.71615520E-01 1.28977624E-01 7.28861451E-01 3.01331742E-01 -9.73739553E-03 -7.26587678E-02 -1.71615520E-01 1.28977624E-01 7.28861451E-01 3.01331742E-01 -9.73739553E-03 -7.26587678E-02 -1.71615520E-01 1.28977624E-01 7.28861451E-01 3.01331742E-01 -9.73739553E-03 -7.26587678E-02 -1.71615520E-01 1.28977624E-01 7.28861451E-01 3.01331742E-01 -9.73739553E-03 -7.26587678E-02 -1.71615520E-01 1.28977624E-01 7.28861451E-01 3.01331742E-01 -9.73739553E-03 -7.26587678E-02 -1.71615520E-01 1.28977624E-01 7.28861451E-01 3.01331742E-01 -9.73739553E-03 -7.26587678E-02 -1.71615520E-01 1.28977624E-01 7.28861451E-01 3.01331742E-01 -9.73739553E-03 -7.26587678E-02 -1.71615520E-01 1.28977624E-01 7.28861451E-01 3.01331742E-01 -9.73739553E-03 -7.26587678E-02 -1.71615520E-01 1.28977624E-01 7.28861451E-01 3.01331742E-01 -9.73739553E-03 -7.26587678E-02 -1.71615520E-01 1.28977624E-01 7.28861451E-01 3.01331742E-01 -9.73739553E-03 -7.26587678E-02 -1.71615520E-01 1.28977624E-01 7.28861451E-01 3.01331742E-01 -9.73739553E-03 -7.26587678E-02 -1.71615520E-01 1.28977624E-01 7.28861451E-01 3.01331742E-01 -9.73739553E-03 -7.26587678E-02 -1.71615520E-01 1.28977624E-01 7.28861451E-01 3.01331742E-01 -9.73739553E-03 -7.26587678E-02 -1.71615520E-01 1.28977624E-01 7.28861451E-01 3.01331742E-01 -9.73739553E-03 -7.26587678E-02 -1.71615520E-01 1.28977624E-01 7.28861451E-01 3.01331742E-01 -9.73739553E-03 -7.26587678E-02 -1.71615520E-01 1.28977624E-01 7.28861451E-01 3.01331742E-01 -9.73739553E-03 -7.26587678E-02 -1.71615520E-01 1.28977624E-01 7.28861451E-01 3.01331742E-01 -9.73739553E-03 -7.26587678E-02 -1.71615520E-01 1.28977624E-01 7.28861451E-01 3.01331742E-01 -9.73739553E-03 -7.26587678E-02 -1.71615520E-01 1.28977624E-01 7.28861451E-01 3.01331742E-01 -9.73739553E-03 -7.26587678E-02 -1.71615520E-01 1.28977624E-01 7.28861451E-01 3.01331742E-01 P(S=P) Contraction coefficients R N= 138 -8.10494336E-03 -1.71547892E-02 7.36978576E-02 3.96514999E-01 4.97808488E-01 1.17482582E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 -8.10494336E-03 -1.71547892E-02 7.36978576E-02 3.96514999E-01 4.97808488E-01 1.17482582E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 -8.10494336E-03 -1.71547892E-02 7.36978576E-02 3.96514999E-01 4.97808488E-01 1.17482582E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 -8.10494336E-03 -1.71547892E-02 7.36978576E-02 3.96514999E-01 4.97808488E-01 1.17482582E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 -8.10494336E-03 -1.71547892E-02 7.36978576E-02 3.96514999E-01 4.97808488E-01 1.17482582E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 -8.10494336E-03 -1.71547892E-02 7.36978576E-02 3.96514999E-01 4.97808488E-01 1.17482582E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 -8.10494336E-03 -1.71547892E-02 7.36978576E-02 3.96514999E-01 4.97808488E-01 1.17482582E-01 -8.10494336E-03 -1.71547892E-02 7.36978576E-02 3.96514999E-01 4.97808488E-01 1.17482582E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 -8.10494336E-03 -1.71547892E-02 7.36978576E-02 3.96514999E-01 4.97808488E-01 1.17482582E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 -8.10494336E-03 -1.71547892E-02 7.36978576E-02 3.96514999E-01 4.97808488E-01 1.17482582E-01 -8.10494336E-03 -1.71547892E-02 7.36978576E-02 3.96514999E-01 4.97808488E-01 1.17482582E-01 -8.10494336E-03 -1.71547892E-02 7.36978576E-02 3.96514999E-01 4.97808488E-01 1.17482582E-01 -8.10494336E-03 -1.71547892E-02 7.36978576E-02 3.96514999E-01 4.97808488E-01 1.17482582E-01 Coordinates of each shell R N= 69 -1.59800573E+00 -1.32011193E+00 2.71398697E+00 -6.58543821E-01 -2.37087660E+00 4.24354242E+00 -2.46206326E+00 -2.56478646E+00 5.61101371E-01 -2.17960889E+00 -4.61913300E+00 3.63298963E-01 -4.53801081E+00 -1.43925819E+00 -9.74290664E-01 -4.44479526E+00 -2.16318310E+00 -2.96581954E+00 -6.37952997E+00 -2.13498150E+00 -1.65911923E-01 -1.59836298E+00 1.32008762E+00 2.71413255E+00 -6.59012777E-01 2.37088219E+00 4.24373627E+00 -2.46289615E+00 2.56493412E+00 5.61320644E-01 -2.18045695E+00 4.61938341E+00 3.63446868E-01 -4.53792230E+00 1.43879083E+00 -9.74894392E-01 -4.44362503E+00 2.16174486E+00 -2.96686834E+00 -6.37961780E+00 2.13572977E+00 -1.68070412E-01 5.23950421E-01 1.33083474E+00 -1.93995346E+00 5.23923543E-01 -1.33089028E+00 -1.93981645E+00 -2.68746597E-01 2.54938514E+00 -3.40713245E+00 2.77154707E+00 2.15344193E+00 -4.59604812E-01 -2.68946246E-01 -2.54938878E+00 -3.40680311E+00 2.77162883E+00 -2.15327942E+00 -4.59546139E-01 4.07127050E+00 9.93201382E-05 4.13465997E-01 3.68307011E+00 4.19422744E+00 1.09035321E-01 3.68317833E+00 -4.19409427E+00 1.08994627E-01 Constraint Structure R N= 69 -1.59800573E+00 -1.32011193E+00 2.71398697E+00 -6.58543821E-01 -2.37087660E+00 4.24354242E+00 -2.46206326E+00 -2.56478646E+00 5.61101371E-01 -2.17960889E+00 -4.61913300E+00 3.63298963E-01 -4.53801081E+00 -1.43925819E+00 -9.74290664E-01 -4.44479526E+00 -2.16318310E+00 -2.96581954E+00 -6.37952997E+00 -2.13498150E+00 -1.65911923E-01 -1.59836298E+00 1.32008762E+00 2.71413255E+00 -6.59012777E-01 2.37088219E+00 4.24373627E+00 -2.46289615E+00 2.56493412E+00 5.61320644E-01 -2.18045695E+00 4.61938341E+00 3.63446868E-01 -4.53792230E+00 1.43879083E+00 -9.74894392E-01 -4.44362503E+00 2.16174486E+00 -2.96686834E+00 -6.37961780E+00 2.13572977E+00 -1.68070412E-01 5.23950421E-01 1.33083474E+00 -1.93995346E+00 5.23923543E-01 -1.33089028E+00 -1.93981645E+00 -2.68746597E-01 2.54938514E+00 -3.40713245E+00 2.77154707E+00 2.15344193E+00 -4.59604812E-01 -2.68946246E-01 -2.54938878E+00 -3.40680311E+00 2.77162883E+00 -2.15327942E+00 -4.59546139E-01 4.07127050E+00 9.93201382E-05 4.13465997E-01 3.68307011E+00 4.19422744E+00 1.09035321E-01 3.68317833E+00 -4.19409427E+00 1.08994627E-01 Num ILSW I 100 ILSW I N= 100 0 0 0 0 2 0 0 0 0 0 0 -1 0 0 0 0 0 0 0 0 1 0 1 0 1 0 0 0 0 0 0 0 100000 0 -1 0 0 0 0 0 0 0 0 0 0 8 0 0 0 0 1 0 0 0 0 0 4 40 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Num RLSW I 40 RLSW R N= 40 1.00000000E+00 1.00000000E+00 1.00000000E+00 1.00000000E+00 1.00000000E+00 0.00000000E+00 0.00000000E+00 1.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 1.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 1.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 1.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 1.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 1.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 1.00000000E+00 1.00000000E+00 MxBond I 4 NBond I N= 23 3 1 3 1 4 1 1 3 1 3 1 4 1 1 3 3 1 3 1 3 2 1 1 IBond I N= 92 2 3 8 0 1 0 0 0 4 5 1 0 3 0 0 0 6 7 12 3 5 0 0 0 5 0 0 0 9 10 1 0 8 0 0 0 11 12 8 0 10 0 0 0 13 14 5 10 12 0 0 0 12 0 0 0 16 17 18 0 19 20 15 0 15 0 0 0 21 22 15 0 16 0 0 0 21 23 16 0 18 20 0 0 18 0 0 0 20 0 0 0 RBond R N= 92 1.00000000E+00 2.00000000E+00 1.00000000E+00 0.00000000E+00 1.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 1.00000000E+00 1.00000000E+00 2.00000000E+00 0.00000000E+00 1.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 1.00000000E+00 1.00000000E+00 1.00000000E+00 1.00000000E+00 1.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 1.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 1.00000000E+00 2.00000000E+00 1.00000000E+00 0.00000000E+00 1.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 1.00000000E+00 1.00000000E+00 2.00000000E+00 0.00000000E+00 1.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 1.00000000E+00 1.00000000E+00 1.00000000E+00 1.00000000E+00 1.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 1.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2.00000000E+00 1.00000000E+00 1.00000000E+00 0.00000000E+00 1.00000000E+00 1.00000000E+00 2.00000000E+00 0.00000000E+00 1.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 1.00000000E+00 2.00000000E+00 1.00000000E+00 0.00000000E+00 1.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 1.00000000E+00 2.00000000E+00 1.00000000E+00 0.00000000E+00 1.00000000E+00 1.00000000E+00 0.00000000E+00 0.00000000E+00 2.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 Virial Ratio R 9.989069013143087E-01 SCF Energy R -5.150443489748113E-02 Total Energy R -5.150443489748113E-02 RMS Force R 7.226814813696677E-05 RMS Density R 1.281036564884330E-09 External E-field R N= 35 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 IOpCl I 0 IROHF I 0 Alpha Orbital Energies R N= 62 -1.55284516E+00 -1.45884445E+00 -1.44126072E+00 -1.36654444E+00 -1.22985832E+00 -1.19318917E+00 -1.18300827E+00 -9.69971993E-01 -8.92935937E-01 -8.70322542E-01 -8.32229618E-01 -8.10490117E-01 -6.80801702E-01 -6.60678407E-01 -6.48500604E-01 -6.43724671E-01 -6.29235567E-01 -6.00266726E-01 -5.85652722E-01 -5.71602199E-01 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1.04702605E-01 1.37775302E-01 7.35110492E-02 -2.49950338E-03 -2.07048147E-02 5.69395917E-02 -1.66431300E-02 -2.46632103E-01 2.60906579E-01 1.25592330E+00 -5.98508392E-03 -3.05946595E-02 -4.39262193E-04 8.33343791E-03 -8.99290820E-03 -2.18309452E-02 -8.19363054E-02 -2.98805611E-02 5.63559095E-02 3.79095501E-03 2.66788568E-03 9.08157674E-03 -3.05549202E-03 5.18248396E-04 1.11833644E-02 -2.02537689E-02 2.31499759E-03 4.27308984E-02 -4.78107508E-03 -2.43420831E-02 1.77384777E-03 9.00477218E-03 3.00012515E-02 -1.11610344E-02 -2.25913594E-02 9.80056907E-04 6.43947193E-03 5.40521947E-03 -3.86504202E-03 3.92785023E-03 -4.86958048E-03 3.30331768E-03 -2.63702637E-02 6.28074877E-02 1.73003028E-02 -5.62591059E-02 6.88197788E-02 9.89937379E-02 -3.86424805E-02 1.45341704E-02 1.45563618E-02 -1.83494624E-03 4.52546174E-02 -4.73029374E-03 -3.34353155E-02 2.66362108E-02 -1.27660137E-01 -3.25585056E-01 2.53827859E-01 6.52362451E-01 -3.53347156E-02 1.62367072E-01 5.63021678E-02 -1.12328559E-01 -2.13439112E-03 -4.02248655E-02 1.66407665E-02 5.31897146E-02 6.78666518E-02 1.36682507E-01 1.66376841E-01 1.49285293E+00 Mulliken Charges R N= 23 -1.50317536E-01 1.52715174E-01 -8.34980572E-02 1.38697621E-01 -1.40010848E-01 9.00877165E-02 9.93861294E-02 -1.50375243E-01 1.52713406E-01 -8.34141092E-02 1.38722844E-01 -1.40034390E-01 9.00776797E-02 9.93802866E-02 -2.07006307E-01 -2.06821033E-01 1.73290084E-01 3.21137049E-01 1.73284613E-01 3.21130560E-01 -2.58621831E-01 -2.65260907E-01 -2.65262902E-01 Optimization MaxStp I 2 Optimization Job offset I 0 Optimization Num results per geometry I 2 Optimization Num geometry variables I 69 Opt point 1 Results for each geome R N= 2 -5.15044349E-02 0.00000000E+00 Opt point 1 Geometries R N= 69 -1.59800573E+00 -1.32011193E+00 2.71398697E+00 -6.58543821E-01 -2.37087660E+00 4.24354242E+00 -2.46206326E+00 -2.56478646E+00 5.61101371E-01 -2.17960889E+00 -4.61913300E+00 3.63298963E-01 -4.53801081E+00 -1.43925819E+00 -9.74290664E-01 -4.44479526E+00 -2.16318310E+00 -2.96581954E+00 -6.37952997E+00 -2.13498150E+00 -1.65911923E-01 -1.59836298E+00 1.32008762E+00 2.71413255E+00 -6.59012777E-01 2.37088219E+00 4.24373627E+00 -2.46289615E+00 2.56493412E+00 5.61320644E-01 -2.18045695E+00 4.61938341E+00 3.63446868E-01 -4.53792230E+00 1.43879083E+00 -9.74894392E-01 -4.44362503E+00 2.16174486E+00 -2.96686834E+00 -6.37961780E+00 2.13572977E+00 -1.68070412E-01 5.23950421E-01 1.33083474E+00 -1.93995346E+00 5.23923543E-01 -1.33089028E+00 -1.93981645E+00 -2.68746597E-01 2.54938514E+00 -3.40713245E+00 2.77154707E+00 2.15344193E+00 -4.59604812E-01 -2.68946246E-01 -2.54938878E+00 -3.40680311E+00 2.77162883E+00 -2.15327942E+00 -4.59546139E-01 4.07127050E+00 9.93201382E-05 4.13465997E-01 3.68307011E+00 4.19422744E+00 1.09035321E-01 3.68317833E+00 -4.19409427E+00 1.08994627E-01 Opt point 1 Gradient at each geome R N= 69 -2.70467727E-05 6.39823367E-05 1.76752410E-05 1.09809851E-05 -3.30359135E-05 9.45613954E-07 5.16587891E-05 -3.61851314E-05 -5.39056410E-05 -4.24279856E-05 2.73999233E-05 3.22886617E-05 7.91430753E-06 -4.73046757E-05 3.73584657E-06 3.37903416E-05 -8.67189602E-06 1.61389806E-05 -1.37755020E-05 -1.95016976E-05 5.97025719E-06 1.30961246E-05 -1.42920287E-04 1.14240612E-04 1.96938274E-05 2.89136562E-05 3.34243529E-06 -4.25398517E-05 1.04167822E-04 -9.74212216E-05 -2.81976917E-05 2.15666595E-05 2.42611516E-05 -2.49784639E-05 -1.99054842E-05 3.28046023E-05 2.00169147E-05 1.46952724E-05 -2.25255911E-05 1.26216281E-05 5.55077700E-05 -1.05483245E-06 6.50644630E-05 -2.01582121E-05 -5.17437247E-05 7.07018192E-05 -3.64769400E-05 -5.89665170E-05 -1.83649445E-05 2.26506846E-05 -1.74318731E-05 1.08516414E-04 1.10917422E-04 1.41136490E-04 -1.65328878E-05 4.52613677E-06 2.25659085E-05 8.80272105E-05 -8.38689107E-05 1.28212079E-04 -4.16499405E-05 6.12031285E-06 -4.89608514E-05 -1.21916562E-04 -2.57749308E-04 -9.46296798E-05 -1.24652222E-04 2.45330459E-04 -9.66779478E-05 Optimization Number of geometries I N= 1 1 ONIOM Charges I N= 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ONIOM Multiplicities I N= 16 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Atom Layers I N= 23 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Atom Modifiers I N= 23 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Force Field I 0 Int Atom Modified Types I N= 23 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Link Atoms I N= 23 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Atom Modified MM Charges R N= 23 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 Link Distances R N= 92 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 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-1.24390786E-03 -1.58171284E-03 -1.40977347E-03 1.01684339E-03 -8.96279377E-04 -1.37755142E-04 2.65669591E-04 5.91578903E-04 -1.29800864E-04 -6.68916797E-05 -9.19237137E-05 -5.68774041E-05 2.06632552E-05 -1.88265062E-04 1.06933501E-04 1.04317497E-03 -2.33515982E-03 1.36058620E-03 -2.96526456E-04 1.13065579E-04 3.51501505E-04 6.19066734E-04 4.92739504E-04 -2.73917567E-03 -1.20946533E-04 2.11139702E-04 2.42011245E-05 -2.74303376E-04 5.05485469E-05 3.58882192E-05 -1.63979590E-05 5.62433635E-05 -3.11078535E-05 -3.71721429E-05 1.10913790E-04 2.59421772E-05 1.80039661E-03 4.61967580E-03 4.03189299E-03 2.53840775E-02 -2.70619914E-02 1.55376267E-02 5.48329354E-04 -1.12392088E-04 -4.42745655E-04 -1.85783741E-02 1.52732137E-02 -1.34300114E-02 6.15249425E-05 -1.47549967E-03 1.85783951E-04 3.57917901E-01 -7.79046700E-01 2.24485523E-01 2.65149800E-03 -1.31872081E-01 1.33419566E-03 1.00217746E-03 -9.06618518E-03 1.02896879E-03 -3.73779118E-01 9.29804341E-01 -1.57339148E-04 -2.16546012E-03 -1.43310540E-03 -4.09638879E-04 3.71459322E-04 -1.09287305E-04 -2.43198602E-04 6.09998566E-04 1.51012836E-03 -2.79529057E-04 2.68687790E-04 -1.83310212E-04 -9.22399399E-05 -1.94520860E-04 7.21396427E-05 2.67693737E-05 7.48344970E-06 4.11477346E-05 -1.59890185E-05 8.68392599E-05 -2.15494494E-05 -5.20487858E-04 1.97945773E-03 -1.00038896E-03 -3.92629142E-05 -6.65721496E-05 -2.10883656E-04 -9.35998442E-04 1.01022329E-05 2.70031231E-03 2.08890169E-05 -1.22503177E-04 -1.52199112E-05 2.80188547E-04 -4.43119225E-05 -1.09680981E-04 6.98660798E-06 -3.06900448E-05 6.61616884E-06 4.91756182E-05 -2.11721071E-05 2.78691231E-05 -1.21099823E-03 -3.03169732E-03 -2.95194790E-03 -2.08713952E-02 2.69667902E-02 2.46021803E-03 3.63287425E-04 3.77633630E-04 1.72060944E-04 -3.64888173E-03 -5.55378910E-04 1.72015351E-03 3.72262894E-04 -2.86186812E-04 5.54925827E-04 -9.98447137E-02 2.10642525E-01 -1.16692841E-01 4.80451009E-03 -2.19761701E-03 1.39770532E-02 8.76974257E-04 -1.02904287E-03 -1.56843573E-04 1.21469748E-01 -2.31575000E-01 9.96389890E-02 Dipole Moment R N= 3 -2.30372595E+00 5.63892170E-05 -7.57936147E-01 Dipole Derivatives R N= 207 -3.85028199E-01 -1.94440430E-01 6.22596419E-02 -4.52496610E-01 -1.77293374E-01 2.24555944E-01 -2.14747118E-01 3.16722289E-02 -3.98094259E-03 1.48966246E-01 -1.60053027E-02 1.26962491E-02 -8.30098352E-03 9.77805056E-02 -8.39926822E-02 -2.80163112E-02 -7.64934936E-02 1.95612606E-01 1.01056366E-01 1.43222315E-01 7.22657196E-02 8.80368722E-02 -3.32443649E-02 -1.86348019E-02 4.88232551E-01 1.65595754E-01 -2.67529726E-01 4.12486730E-02 -1.95639788E-02 -2.47208983E-02 5.16671358E-02 1.97096031E-01 -4.20102591E-04 -2.49604676E-02 1.93846218E-02 5.60234193E-02 -4.43942901E-02 -3.93227833E-02 -4.06348377E-02 -2.54426286E-02 -7.17744923E-02 -3.42995190E-02 -1.39194506E-02 4.15552137E-03 -9.40881165E-03 3.16710057E-02 1.05172942E-02 1.83146423E-02 1.17405534E-02 3.07922251E-02 1.52738456E-02 4.04068795E-03 9.31729583E-03 4.57162359E-02 6.36682364E-02 5.17153050E-03 -1.44370483E-02 4.43494773E-02 5.36095986E-02 4.65167943E-03 -3.36484477E-02 -2.08936443E-02 3.41998362E-02 -3.85244018E-01 1.94506707E-01 6.23062781E-02 4.52393389E-01 -1.77886367E-01 -2.24415013E-01 -2.14734386E-01 -3.13864506E-02 -4.13185699E-03 1.48963946E-01 1.59941543E-02 1.26603735E-02 8.33386622E-03 9.77542750E-02 8.39777756E-02 -2.80059360E-02 7.64704603E-02 1.95607078E-01 1.01702921E-01 -1.43194029E-01 7.20822935E-02 -8.80092850E-02 -3.31167934E-02 1.86103466E-02 4.87930770E-01 -1.66000769E-01 -2.66939652E-01 4.11924344E-02 1.95411205E-02 -2.46736934E-02 -5.17293706E-02 1.97158704E-01 4.11251155E-04 -2.49264252E-02 -1.93724117E-02 5.59824333E-02 -4.45181404E-02 3.93409355E-02 -4.07405842E-02 2.56046663E-02 -7.18312927E-02 3.42205825E-02 -1.39496287E-02 -4.06611856E-03 -9.50827418E-03 3.16994223E-02 -1.05119595E-02 1.83230755E-02 -1.17934526E-02 3.07623833E-02 -1.52497001E-02 4.02981059E-03 -9.28574988E-03 4.56957156E-02 6.36522014E-02 -5.19656306E-03 -1.43994962E-02 -4.44304310E-02 5.36453531E-02 -4.63433875E-03 -3.36444472E-02 2.08859610E-02 3.42148679E-02 -2.22635430E-01 -1.02591530E-01 -4.78837773E-02 -5.61455497E-01 -2.17005123E-01 3.46348700E-01 -4.18073661E-01 1.81096580E-01 -1.37738351E-02 -2.21783684E-01 1.02487638E-01 -4.84115762E-02 5.61368057E-01 -2.16870095E-01 -3.46327785E-01 -4.18285067E-01 -1.81137434E-01 -1.35054661E-02 4.16839486E-02 -4.18425398E-02 6.47958999E-02 -1.23209217E-02 1.39490879E-01 -1.02034657E-01 1.17811239E-04 -7.09277200E-02 1.69445431E-01 1.16553979E+00 8.84416394E-02 9.07584229E-03 3.65327842E-01 1.91952747E+00 -1.20664764E-01 6.10721893E-01 2.53717413E-02 2.60303940E-01 4.16884942E-02 4.18754436E-02 6.48116033E-02 1.23666565E-02 1.39489404E-01 1.02003281E-01 2.05095983E-04 7.09296736E-02 1.69381288E-01 1.16510393E+00 -8.84399519E-02 9.36459166E-03 -3.65396703E-01 1.91944890E+00 1.20730451E-01 6.10313479E-01 -2.52426857E-02 2.60473417E-01 -6.01533676E-01 2.49716999E-05 -1.41355876E-01 2.23694332E-04 -1.52092659E+00 -9.48185012E-05 -2.62209035E-01 -1.57441994E-05 -3.06863372E-01 -6.41340489E-01 -3.30185433E-01 -4.08774062E-02 -3.96650853E-01 -1.17837508E+00 3.36994609E-02 -2.38291575E-01 -1.91414027E-01 -3.13489695E-01 -6.41313310E-01 3.30170857E-01 -4.08986402E-02 3.96614485E-01 -1.17830899E+00 -3.37148514E-02 -2.38234354E-01 1.91356609E-01 -3.13498296E-01 Polarizability R N= 6 9.85666478E+01 -5.89719844E-03 1.21588667E+02 -8.59884127E-01 -3.55153705E-03 8.26358883E+01 HyperPolarizability R N= 10 7.96583328E+02 8.35332426E-02 -8.21525307E+01 -6.47014191E-03 -2.91297169E+02 -3.81243217E-03 -1.57408443E+01 1.07848155E+02 1.07942238E-02 -2.01553528E+00 NSEScI I 16 Number of SE elements I 23 Number of SE core fns I 4 ISEScl I N= 16 1000 8 108 16 16 16 112 3 30 5 1 1 10 0 0 0 RSEScl R N= 16 1.14505045E-02 5.29177209E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2.80028518E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 List of SE elements I N= 23 1 3 4 5 6 7 8 9 12 13 14 15 16 17 24 30 32 35 50 53 54 80 82 ISEPar I N= 368 1 3 1 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 2 2 0 0 0 1 0 0 0 0 0 0 0 0 1 0 2 2 0 0 0 2 0 0 0 0 0 0 0 0 1 0 2 2 0 0 0 3 0 0 0 0 0 0 0 0 1 4 2 2 0 0 0 4 0 0 0 0 0 0 0 0 1 3 2 2 0 0 0 5 0 0 0 0 0 0 0 0 1 2 2 2 0 0 0 6 0 0 0 0 0 0 0 0 1 2 2 2 0 0 0 7 0 0 0 0 0 0 0 0 1 3 3 3 0 0 0 2 0 0 0 0 0 0 0 0 1 1 3 3 0 0 0 3 0 0 0 0 0 0 0 0 1 3 3 3 0 0 0 4 0 0 0 0 0 0 0 0 1 3 3 3 0 0 0 5 0 0 0 0 0 0 0 0 1 3 3 3 0 0 0 6 0 0 0 0 0 0 0 0 1 2 3 3 0 0 0 7 0 0 0 0 0 0 0 0 1 0 4 4 3 0 0 6 0 0 0 0 0 0 0 0 1 0 4 4 0 0 0 2 0 0 0 0 0 0 0 0 1 0 4 4 0 0 0 4 0 0 0 0 0 0 0 0 1 2 4 4 0 0 0 7 0 0 0 0 0 0 0 0 1 0 5 5 0 0 0 4 0 0 0 0 0 0 0 0 1 2 5 5 0 0 0 7 0 0 0 0 0 0 0 0 1 0 5 5 0 0 0 0 0 0 0 0 0 0 0 0 1 0 6 6 5 0 0 2 0 0 0 0 0 0 0 0 1 0 6 6 0 0 0 4 0 0 0 0 0 0 0 0 RSEPar R N= 2576 4.72155333E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 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0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 1.48980585E+00 0.00000000E+00 0.00000000E+00 1.51166689E+00 0.00000000E+00 1.29992593E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 -8.89508454E-01 1.22643568E-01 8.83426424E-01 2.87448362E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 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2.26767136E+00 3.53480957E-04 1.40014259E+00 3.40150704E+00 -1.27336480E-03 5.60057036E-01 3.96842488E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 7.88561153E-04 1.40014259E+00 3.02356181E+00 3.18924548E-03 1.40014259E+00 3.49599335E+00 -1.39315943E-03 1.40014259E+00 3.87393857E+00 -8.75021623E-05 1.40014259E+00 5.00777425E+00 1.75358500E-03 1.40014259E+00 2.83458920E+00 2.01067469E-03 1.40014259E+00 3.96842488E+00 -4.03204408E-04 5.60057036E-01 4.53534272E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 1.95117322E-02 1.40014259E+00 1.60233280E+00 5.65500086E-03 1.96019963E+00 2.73078843E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 1.68114571E-02 1.34413689E+00 1.75744530E+00 2.50492301E-04 1.28813118E+00 3.13694538E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 1.77100026E-01 1.20243469E+00 1.51158439E+00 -3.92930543E-04 8.29035377E-01 2.78734572E+00 -4.23820195E-04 7.32041924E-01 4.58455194E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 6.25015445E-03 3.47023745E+00 3.87468312E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 1.73615401E-02 2.52025666E+00 1.72239655E+00 4.27184168E-03 1.40014259E+00 3.77107889E+00 1.44371623E-03 1.40014259E+00 5.65143387E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 -2.21026295E-03 1.68017111E+00 2.78606670E+00 1.28267059E-03 1.96019963E+00 3.36249175E+00 2.31186269E-03 2.52025666E+00 5.68160524E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 -3.53616377E-02 1.28636448E+00 1.45634579E+00 -8.23839803E-04 1.64257196E+00 2.84084986E+00 8.56548944E-04 3.79644071E+00 3.79678672E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 6.54481451E-03 1.12011407E+00 2.45664397E+00 1.88671329E-03 1.12011407E+00 3.96842488E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 4.63101722E-03 1.12011407E+00 2.83458920E+00 1.77559943E-03 1.12011407E+00 4.34637011E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 3.02854706E-04 6.44065592E-01 3.40150704E+00 1.09072140E-03 8.40085554E-01 4.23298654E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 ISEElP I N= 276 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 RSEElP R N= 1380 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 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0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 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