GAUSSIAN 25 MOL ORBITALS 218 PRIMITIVES 2 NUCLEI I 1 (CENTRE 1) -8.79274757 -1.79272340 0.00000000 CHARGE = 53.0 I 2 (CENTRE 2) -6.32872640 2.73017867 0.00000000 CHARGE = 53.0 CENTRE ASSIGNMENTS 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 CENTRE ASSIGNMENTS 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 CENTRE ASSIGNMENTS 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 CENTRE ASSIGNMENTS 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 CENTRE ASSIGNMENTS 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 CENTRE ASSIGNMENTS 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 2 CENTRE ASSIGNMENTS 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 CENTRE ASSIGNMENTS 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 CENTRE ASSIGNMENTS 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 CENTRE ASSIGNMENTS 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 CENTRE ASSIGNMENTS 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 TYPE ASSIGNMENTS 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 TYPE ASSIGNMENTS 2 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 2 2 2 TYPE ASSIGNMENTS 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 2 3 4 2 3 TYPE ASSIGNMENTS 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 TYPE ASSIGNMENTS 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 5 6 7 TYPE ASSIGNMENTS 8 9 10 5 6 7 8 9 10 1 1 1 1 1 1 1 1 1 1 1 TYPE ASSIGNMENTS 1 1 1 1 1 1 1 1 2 2 2 2 2 2 3 3 3 3 3 3 TYPE ASSIGNMENTS 4 4 4 4 4 4 2 2 2 2 2 2 3 3 3 3 3 3 4 4 TYPE ASSIGNMENTS 4 4 4 4 2 3 4 2 3 4 5 5 5 5 5 5 6 6 6 6 TYPE ASSIGNMENTS 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 TYPE ASSIGNMENTS 10 10 10 10 10 10 5 6 7 8 9 10 5 6 7 8 9 10 EXPONENTS 2.4497900E+03 3.5980800E+02 1.4405800E+01 9.0763200E+00 2.0881000E+00 EXPONENTS 1.0349800E+00 3.1628400E-01 1.2171900E-01 3.1628400E-01 2.4497900E+03 EXPONENTS 3.5980800E+02 1.4405800E+01 9.0763200E+00 2.0881000E+00 1.0349800E+00 EXPONENTS 3.1628400E-01 1.2171900E-01 1.2171900E-01 4.2000000E-02 1.9530100E+01 EXPONENTS 1.1088200E+01 2.7156300E+00 1.2043000E+00 3.3994500E-01 1.1088100E-01 EXPONENTS 1.9530100E+01 1.1088200E+01 2.7156300E+00 1.2043000E+00 3.3994500E-01 EXPONENTS 1.1088100E-01 1.9530100E+01 1.1088200E+01 2.7156300E+00 1.2043000E+00 EXPONENTS 3.3994500E-01 1.1088100E-01 1.9530100E+01 1.1088200E+01 2.7156300E+00 EXPONENTS 1.2043000E+00 3.3994500E-01 1.1088100E-01 1.9530100E+01 1.1088200E+01 EXPONENTS 2.7156300E+00 1.2043000E+00 3.3994500E-01 1.1088100E-01 1.9530100E+01 EXPONENTS 1.1088200E+01 2.7156300E+00 1.2043000E+00 3.3994500E-01 1.1088100E-01 EXPONENTS 1.1088100E-01 1.1088100E-01 1.1088100E-01 3.3800000E-02 3.3800000E-02 EXPONENTS 3.3800000E-02 4.5476500E+01 1.3192800E+01 4.2274100E+00 1.9428000E+00 EXPONENTS 8.3977100E-01 3.0000000E-01 4.5476500E+01 1.3192800E+01 4.2274100E+00 EXPONENTS 1.9428000E+00 8.3977100E-01 3.0000000E-01 4.5476500E+01 1.3192800E+01 EXPONENTS 4.2274100E+00 1.9428000E+00 8.3977100E-01 3.0000000E-01 4.5476500E+01 EXPONENTS 1.3192800E+01 4.2274100E+00 1.9428000E+00 8.3977100E-01 3.0000000E-01 EXPONENTS 4.5476500E+01 1.3192800E+01 4.2274100E+00 1.9428000E+00 8.3977100E-01 EXPONENTS 3.0000000E-01 4.5476500E+01 1.3192800E+01 4.2274100E+00 1.9428000E+00 EXPONENTS 8.3977100E-01 3.0000000E-01 3.0000000E-01 3.0000000E-01 3.0000000E-01 EXPONENTS 3.0000000E-01 3.0000000E-01 3.0000000E-01 1.1910000E-01 1.1910000E-01 EXPONENTS 1.1910000E-01 1.1910000E-01 1.1910000E-01 1.1910000E-01 2.4497900E+03 EXPONENTS 3.5980800E+02 1.4405800E+01 9.0763200E+00 2.0881000E+00 1.0349800E+00 EXPONENTS 3.1628400E-01 1.2171900E-01 3.1628400E-01 2.4497900E+03 3.5980800E+02 EXPONENTS 1.4405800E+01 9.0763200E+00 2.0881000E+00 1.0349800E+00 3.1628400E-01 EXPONENTS 1.2171900E-01 1.2171900E-01 4.2000000E-02 1.9530100E+01 1.1088200E+01 EXPONENTS 2.7156300E+00 1.2043000E+00 3.3994500E-01 1.1088100E-01 1.9530100E+01 EXPONENTS 1.1088200E+01 2.7156300E+00 1.2043000E+00 3.3994500E-01 1.1088100E-01 EXPONENTS 1.9530100E+01 1.1088200E+01 2.7156300E+00 1.2043000E+00 3.3994500E-01 EXPONENTS 1.1088100E-01 1.9530100E+01 1.1088200E+01 2.7156300E+00 1.2043000E+00 EXPONENTS 3.3994500E-01 1.1088100E-01 1.9530100E+01 1.1088200E+01 2.7156300E+00 EXPONENTS 1.2043000E+00 3.3994500E-01 1.1088100E-01 1.9530100E+01 1.1088200E+01 EXPONENTS 2.7156300E+00 1.2043000E+00 3.3994500E-01 1.1088100E-01 1.1088100E-01 EXPONENTS 1.1088100E-01 1.1088100E-01 3.3800000E-02 3.3800000E-02 3.3800000E-02 EXPONENTS 4.5476500E+01 1.3192800E+01 4.2274100E+00 1.9428000E+00 8.3977100E-01 EXPONENTS 3.0000000E-01 4.5476500E+01 1.3192800E+01 4.2274100E+00 1.9428000E+00 EXPONENTS 8.3977100E-01 3.0000000E-01 4.5476500E+01 1.3192800E+01 4.2274100E+00 EXPONENTS 1.9428000E+00 8.3977100E-01 3.0000000E-01 4.5476500E+01 1.3192800E+01 EXPONENTS 4.2274100E+00 1.9428000E+00 8.3977100E-01 3.0000000E-01 4.5476500E+01 EXPONENTS 1.3192800E+01 4.2274100E+00 1.9428000E+00 8.3977100E-01 3.0000000E-01 EXPONENTS 4.5476500E+01 1.3192800E+01 4.2274100E+00 1.9428000E+00 8.3977100E-01 EXPONENTS 3.0000000E-01 3.0000000E-01 3.0000000E-01 3.0000000E-01 3.0000000E-01 EXPONENTS 3.0000000E-01 3.0000000E-01 1.1910000E-01 1.1910000E-01 1.1910000E-01 EXPONENTS 1.1910000E-01 1.1910000E-01 1.1910000E-01 MO 1 OCC NO = 2.00000000 ORB. ENERGY = -7.75937544 7.35294148E-02 9.32613233E-02 1.48025953E+00 -2.45677124E+00 8.20384529E-01 2.02759283E-01 2.65366995E-03 -1.38020694E-04 7.09398221E-05 -7.50767032E-06 -1.07584226E-05 -1.53960829E-04 2.71739154E-04 -1.36723255E-04 -4.04692816E-05 4.23185828E-05 1.24353007E-05 -8.19323013E-05 1.99632920E-05 6.07153550E-03 -1.17248881E-02 5.81543153E-03 1.42669761E-03 1.88760552E-05 -4.63842988E-07 1.11447746E-02 -2.15219419E-02 1.06746759E-02 2.61881418E-03 3.46484642E-05 -8.51419800E-07 0.00000000E+00 -0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 -0.00000000E+00 -2.48315247E-04 5.19796071E-04 -3.43256026E-04 -5.97889851E-05 5.06343821E-05 1.12391060E-05 -4.55801906E-04 9.54126026E-04 -6.30073073E-04 -1.09747322E-04 9.29433378E-05 2.06302513E-05 -0.00000000E+00 0.00000000E+00 -0.00000000E+00 -0.00000000E+00 0.00000000E+00 0.00000000E+00 -1.62080298E-05 -2.97510965E-05 0.00000000E+00 4.92305574E-07 9.03665087E-07 0.00000000E+00 -1.78481603E-03 6.53689519E-04 -2.02812713E-03 -8.56190573E-04 -1.15121611E-04 -2.56592792E-06 7.47985739E-03 -2.73950049E-03 8.49953242E-03 3.58814762E-03 4.82454899E-04 1.07533632E-05 -5.69504136E-03 2.08581097E-03 -6.47140529E-03 -2.73195705E-03 -3.67333287E-04 -8.18743525E-06 1.43550441E-02 -5.25754014E-03 1.63119638E-02 6.88622988E-03 9.25908209E-04 2.06374259E-05 0.00000000E+00 -0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 -0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2.46819464E-06 -1.03437798E-05 7.87558514E-06 -1.98513698E-05 0.00000000E+00 0.00000000E+00 4.99902810E-07 -2.09500680E-06 1.59510399E-06 -4.02065354E-06 0.00000000E+00 0.00000000E+00 7.35294148E-02 9.32613233E-02 1.48025953E+00 -2.45677124E+00 8.20384529E-01 2.02759283E-01 2.65366995E-03 -1.38020694E-04 7.09398221E-05 -7.50767028E-06 -1.07584226E-05 -1.53960829E-04 2.71739153E-04 -1.36723254E-04 -4.04692814E-05 4.23185826E-05 1.24353006E-05 -8.19323011E-05 1.99632919E-05 -6.07153550E-03 1.17248881E-02 -5.81543153E-03 -1.42669761E-03 -1.88760552E-05 4.63842988E-07 -1.11447746E-02 2.15219419E-02 -1.06746759E-02 -2.61881418E-03 -3.46484642E-05 8.51419800E-07 0.00000000E+00 -0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 -0.00000000E+00 2.48315247E-04 -5.19796070E-04 3.43256025E-04 5.97889851E-05 -5.06343821E-05 -1.12391060E-05 4.55801906E-04 -9.54126026E-04 6.30073073E-04 1.09747322E-04 -9.29433378E-05 -2.06302512E-05 -0.00000000E+00 0.00000000E+00 -0.00000000E+00 -0.00000000E+00 0.00000000E+00 0.00000000E+00 1.62080298E-05 2.97510964E-05 0.00000000E+00 -4.92305571E-07 -9.03665082E-07 0.00000000E+00 -1.78481603E-03 6.53689519E-04 -2.02812713E-03 -8.56190573E-04 -1.15121611E-04 -2.56592792E-06 7.47985739E-03 -2.73950049E-03 8.49953242E-03 3.58814762E-03 4.82454899E-04 1.07533632E-05 -5.69504136E-03 2.08581097E-03 -6.47140529E-03 -2.73195705E-03 -3.67333287E-04 -8.18743525E-06 1.43550441E-02 -5.25754014E-03 1.63119638E-02 6.88622988E-03 9.25908209E-04 2.06374259E-05 0.00000000E+00 -0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 -0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2.46819464E-06 -1.03437798E-05 7.87558513E-06 -1.98513698E-05 0.00000000E+00 0.00000000E+00 4.99902809E-07 -2.09500680E-06 1.59510399E-06 -4.02065353E-06 0.00000000E+00 0.00000000E+00 MO 2 OCC NO = 2.00000000 ORB. 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