GAUSSIAN 16 MOL ORBITALS 90 PRIMITIVES 2 NUCLEI O 1 (CENTRE 1) -9.94824634 -0.07922377 -0.00000000 CHARGE = 8.0 O 2 (CENTRE 2) -9.25923096 2.14807689 0.00000000 CHARGE = 8.0 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 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 TYPE ASSIGNMENTS 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 TYPE ASSIGNMENTS 3 3 3 4 4 4 2 3 4 5 6 7 8 9 10 1 2 3 4 5 TYPE ASSIGNMENTS 6 7 8 9 10 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 TYPE ASSIGNMENTS 1 1 2 2 2 3 3 3 4 4 4 2 3 4 5 6 7 8 9 10 TYPE ASSIGNMENTS 1 2 3 4 5 6 7 8 9 10 EXPONENTS 1.1720000E+04 1.7590000E+03 4.0080000E+02 1.1370000E+02 3.7030000E+01 EXPONENTS 1.3270000E+01 5.0250000E+00 1.0130000E+00 1.1720000E+04 1.7590000E+03 EXPONENTS 4.0080000E+02 1.1370000E+02 3.7030000E+01 1.3270000E+01 5.0250000E+00 EXPONENTS 1.0130000E+00 3.0230000E-01 1.7700000E+01 3.8540000E+00 1.0460000E+00 EXPONENTS 1.7700000E+01 3.8540000E+00 1.0460000E+00 1.7700000E+01 3.8540000E+00 EXPONENTS 1.0460000E+00 2.7530000E-01 2.7530000E-01 2.7530000E-01 1.1850000E+00 EXPONENTS 1.1850000E+00 1.1850000E+00 1.1850000E+00 1.1850000E+00 1.1850000E+00 EXPONENTS 7.8960000E-02 6.8560000E-02 6.8560000E-02 6.8560000E-02 3.3200000E-01 EXPONENTS 3.3200000E-01 3.3200000E-01 3.3200000E-01 3.3200000E-01 3.3200000E-01 EXPONENTS 1.1720000E+04 1.7590000E+03 4.0080000E+02 1.1370000E+02 3.7030000E+01 EXPONENTS 1.3270000E+01 5.0250000E+00 1.0130000E+00 1.1720000E+04 1.7590000E+03 EXPONENTS 4.0080000E+02 1.1370000E+02 3.7030000E+01 1.3270000E+01 5.0250000E+00 EXPONENTS 1.0130000E+00 3.0230000E-01 1.7700000E+01 3.8540000E+00 1.0460000E+00 EXPONENTS 1.7700000E+01 3.8540000E+00 1.0460000E+00 1.7700000E+01 3.8540000E+00 EXPONENTS 1.0460000E+00 2.7530000E-01 2.7530000E-01 2.7530000E-01 1.1850000E+00 EXPONENTS 1.1850000E+00 1.1850000E+00 1.1850000E+00 1.1850000E+00 1.1850000E+00 EXPONENTS 7.8960000E-02 6.8560000E-02 6.8560000E-02 6.8560000E-02 3.3200000E-01 EXPONENTS 3.3200000E-01 3.3200000E-01 3.3200000E-01 3.3200000E-01 3.3200000E-01 MO 1 OCC NO = 1.00000000 ORB. ENERGY = -20.77198874 4.03529723E-01 7.49649365E-01 1.25817104E+00 1.84120906E+00 2.14396814E+00 1.57416091E+00 4.58844872E-01 7.87556751E-03 -5.93550585E-04 -1.12978232E-03 -1.84883232E-03 -2.94893915E-03 -3.50631194E-03 -3.78756090E-03 -1.29274506E-03 1.85349390E-03 -7.50068217E-04 1.38432675E-03 1.09567539E-03 4.77004044E-04 4.47495365E-03 3.54186365E-03 1.54195603E-03 0.00000000E+00 0.00000000E+00 0.00000000E+00 -8.44767737E-05 -2.73078337E-04 0.00000000E+00 2.93096188E-04 -6.90255063E-04 3.97158875E-04 -6.72782925E-04 0.00000000E+00 0.00000000E+00 4.60006811E-05 2.93057950E-06 9.47334682E-06 0.00000000E+00 7.70294405E-05 -1.81407891E-04 1.04378450E-04 -1.76815989E-04 0.00000000E+00 0.00000000E+00 4.03529723E-01 7.49649365E-01 1.25817104E+00 1.84120906E+00 2.14396814E+00 1.57416091E+00 4.58844872E-01 7.87556751E-03 -5.93550585E-04 -1.12978232E-03 -1.84883232E-03 -2.94893915E-03 -3.50631194E-03 -3.78756090E-03 -1.29274506E-03 1.85349390E-03 -7.50068217E-04 -1.38432675E-03 -1.09567539E-03 -4.77004044E-04 -4.47495365E-03 -3.54186365E-03 -1.54195603E-03 0.00000000E+00 0.00000000E+00 0.00000000E+00 8.44767737E-05 2.73078337E-04 0.00000000E+00 2.93096188E-04 -6.90255063E-04 3.97158875E-04 -6.72782925E-04 0.00000000E+00 0.00000000E+00 4.60006811E-05 -2.93057950E-06 -9.47334682E-06 0.00000000E+00 7.70294405E-05 -1.81407891E-04 1.04378450E-04 -1.76815989E-04 0.00000000E+00 0.00000000E+00 MO 2 OCC NO = 1.00000000 ORB. ENERGY = -20.77140430 4.03941213E-01 7.50413802E-01 1.25945403E+00 1.84308659E+00 2.14615440E+00 1.57576612E+00 4.59312768E-01 7.88359843E-03 -9.02549505E-04 -1.71794031E-03 -2.81132348E-03 -4.48413941E-03 -5.33167718E-03 -5.75934268E-03 -1.96574049E-03 2.81841185E-03 -4.68297350E-03 8.66301179E-04 6.85665349E-04 2.98505512E-04 2.80039205E-03 2.21647140E-03 9.64944388E-04 0.00000000E+00 0.00000000E+00 0.00000000E+00 -8.52230307E-04 -2.75490676E-03 0.00000000E+00 3.20552639E-05 -7.54916273E-05 4.34363634E-05 -7.35807393E-05 0.00000000E+00 0.00000000E+00 -5.79499220E-04 -1.68953798E-05 -5.46157484E-05 0.00000000E+00 2.59458062E-04 -6.11035723E-04 3.51577661E-04 -5.95568832E-04 0.00000000E+00 0.00000000E+00 -4.03941213E-01 -7.50413802E-01 -1.25945403E+00 -1.84308659E+00 -2.14615440E+00 -1.57576612E+00 -4.59312768E-01 -7.88359843E-03 9.02549505E-04 1.71794031E-03 2.81132348E-03 4.48413941E-03 5.33167718E-03 5.75934268E-03 1.96574049E-03 -2.81841185E-03 4.68297350E-03 8.66301179E-04 6.85665349E-04 2.98505512E-04 2.80039205E-03 2.21647140E-03 9.64944388E-04 0.00000000E+00 0.00000000E+00 0.00000000E+00 -8.52230307E-04 -2.75490676E-03 0.00000000E+00 -3.20552639E-05 7.54916273E-05 -4.34363634E-05 7.35807393E-05 0.00000000E+00 0.00000000E+00 5.79499220E-04 -1.68953798E-05 -5.46157484E-05 0.00000000E+00 -2.59458062E-04 6.11035723E-04 -3.51577661E-04 5.95568832E-04 0.00000000E+00 0.00000000E+00 MO 3 OCC NO = 1.00000000 ORB. ENERGY = -1.70597858 2.08034145E-03 3.86471319E-03 6.48632608E-03 9.49209760E-03 1.10529300E-02 8.11536794E-03 2.36551101E-03 4.06013946E-05 -8.86952155E-02 -1.68825184E-01 -2.76273978E-01 -4.40664705E-01 -5.23953815E-01 -5.65981299E-01 -1.93176968E-01 2.76970565E-01 7.93988686E-02 1.30162822E-01 1.03022066E-01 4.48508219E-02 4.20762365E-01 3.33027566E-01 1.44984086E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 3.30800600E-03 1.06934100E-02 0.00000000E+00 -1.27528350E-02 3.00335156E-02 -1.72806806E-02 2.92732898E-02 0.00000000E+00 0.00000000E+00 -2.54415939E-04 -1.01440711E-04 -3.27915702E-04 0.00000000E+00 -8.72796015E-04 2.05547494E-03 -1.18267892E-03 2.00344556E-03 0.00000000E+00 0.00000000E+00 2.08034145E-03 3.86471319E-03 6.48632608E-03 9.49209760E-03 1.10529300E-02 8.11536794E-03 2.36551101E-03 4.06013946E-05 -8.86952155E-02 -1.68825184E-01 -2.76273978E-01 -4.40664705E-01 -5.23953815E-01 -5.65981299E-01 -1.93176968E-01 2.76970565E-01 7.93988686E-02 -1.30162822E-01 -1.03022066E-01 -4.48508219E-02 -4.20762365E-01 -3.33027566E-01 -1.44984086E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 -3.30800600E-03 -1.06934100E-02 0.00000000E+00 -1.27528350E-02 3.00335156E-02 -1.72806806E-02 2.92732898E-02 0.00000000E+00 0.00000000E+00 -2.54415939E-04 1.01440711E-04 3.27915702E-04 0.00000000E+00 -8.72796015E-04 2.05547494E-03 -1.18267892E-03 2.00344556E-03 0.00000000E+00 0.00000000E+00 MO 4 OCC NO = 1.00000000 ORB. ENERGY = -1.22252717 -2.79411512E-03 -5.19071213E-03 -8.71181114E-03 -1.27488752E-02 -1.48452355E-02 -1.08997839E-02 -3.17712754E-03 -5.45318994E-05 9.44023071E-02 1.79688237E-01 2.94050821E-01 4.69019266E-01 5.57667612E-01 6.02399352E-01 2.05606935E-01 -2.94792230E-01 -1.52171548E-01 1.17877035E-01 9.32980358E-02 4.06174499E-02 3.81047515E-01 3.01593815E-01 1.31299352E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 -2.86427718E-03 -9.25901896E-03 0.00000000E+00 -1.49054524E-02 3.51030290E-02 -2.01975766E-02 3.42144807E-02 0.00000000E+00 0.00000000E+00 -8.58794604E-03 -1.93240181E-04 -6.24665276E-04 0.00000000E+00 1.56580563E-03 -3.68754460E-03 2.12173897E-03 -3.59420333E-03 0.00000000E+00 0.00000000E+00 2.79411512E-03 5.19071213E-03 8.71181114E-03 1.27488752E-02 1.48452355E-02 1.08997839E-02 3.17712754E-03 5.45318994E-05 -9.44023071E-02 -1.79688237E-01 -2.94050821E-01 -4.69019266E-01 -5.57667612E-01 -6.02399352E-01 -2.05606935E-01 2.94792230E-01 1.52171548E-01 1.17877035E-01 9.32980358E-02 4.06174499E-02 3.81047515E-01 3.01593815E-01 1.31299352E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 -2.86427718E-03 -9.25901896E-03 0.00000000E+00 1.49054524E-02 -3.51030290E-02 2.01975766E-02 -3.42144807E-02 0.00000000E+00 0.00000000E+00 8.58794604E-03 -1.93240181E-04 -6.24665276E-04 0.00000000E+00 -1.56580563E-03 3.68754460E-03 -2.12173897E-03 3.59420333E-03 0.00000000E+00 0.00000000E+00 MO 5 OCC NO = 1.00000000 ORB. ENERGY = -0.83774016 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 -0.00000000E+00 -0.00000000E+00 -0.00000000E+00 -0.00000000E+00 -0.00000000E+00 -0.00000000E+00 -0.00000000E+00 0.00000000E+00 0.00000000E+00 -1.49751239E+00 -1.18526025E+00 -5.16004955E-01 4.63255403E-01 3.66660216E-01 1.59626114E-01 7.90384957E-03 6.25578713E-03 2.72346698E-03 -6.76594875E-02 2.09304600E-02 3.57105835E-04 -2.29820525E-02 2.29820525E-02 0.00000000E+00 -6.71819371E-02 1.21298954E-04 3.92109157E-04 0.00000000E+00 -1.31000898E-04 4.05251231E-05 6.91420920E-07 -7.68895129E-04 7.68895129E-04 0.00000000E+00 -2.24766105E-03 4.05821781E-06 1.31185333E-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 -0.00000000E+00 -0.00000000E+00 -0.00000000E+00 0.00000000E+00 0.00000000E+00 -1.49751239E+00 -1.18526025E+00 -5.16004955E-01 4.63255403E-01 3.66660216E-01 1.59626114E-01 7.90384957E-03 6.25578713E-03 2.72346698E-03 -6.76594875E-02 2.09304600E-02 3.57105835E-04 2.29820525E-02 -2.29820525E-02 0.00000000E+00 6.71819371E-02 -1.21298954E-04 -3.92109157E-04 0.00000000E+00 -1.31000898E-04 4.05251231E-05 6.91420920E-07 7.68895129E-04 -7.68895129E-04 0.00000000E+00 2.24766105E-03 -4.05821781E-06 -1.31185333E-05 MO 6 OCC NO = 1.00000000 ORB. ENERGY = -0.83774016 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 -0.00000000E+00 -0.00000000E+00 -0.00000000E+00 -0.00000000E+00 -0.00000000E+00 -0.00000000E+00 -0.00000000E+00 0.00000000E+00 0.00000000E+00 -7.55080666E-03 -5.97635858E-03 -2.60181731E-03 2.33584177E-03 1.84878631E-03 8.04872092E-04 -1.56752956E+00 -1.24067787E+00 -5.40131105E-01 -3.41154914E-04 1.05536260E-04 -7.08229511E-02 -1.15880868E-04 1.15880868E-04 0.00000000E+00 -3.38746993E-04 -2.40565934E-02 -7.77649788E-02 0.00000000E+00 -6.60537077E-07 2.04337121E-07 -1.37125931E-04 -3.87694854E-06 3.87694854E-06 0.00000000E+00 -1.13332311E-05 -8.04845324E-04 -2.60173078E-03 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 -0.00000000E+00 -0.00000000E+00 -0.00000000E+00 -0.00000000E+00 -0.00000000E+00 -0.00000000E+00 -0.00000000E+00 0.00000000E+00 0.00000000E+00 -7.55080666E-03 -5.97635858E-03 -2.60181731E-03 2.33584177E-03 1.84878631E-03 8.04872092E-04 -1.56752956E+00 -1.24067787E+00 -5.40131105E-01 -3.41154914E-04 1.05536260E-04 -7.08229511E-02 1.15880868E-04 -1.15880868E-04 0.00000000E+00 3.38746993E-04 2.40565934E-02 7.77649788E-02 0.00000000E+00 -6.60537077E-07 2.04337121E-07 -1.37125931E-04 3.87694854E-06 -3.87694854E-06 0.00000000E+00 1.13332311E-05 8.04845324E-04 2.60173078E-03 MO 7 OCC NO = 1.00000000 ORB. ENERGY = -0.76346173 2.35380579E-03 4.37273618E-03 7.33896445E-03 1.07398496E-02 1.25058560E-02 9.18214658E-03 2.67646138E-03 4.59385155E-05 -2.80097252E-02 -5.33145671E-02 -8.72466250E-02 -1.39160802E-01 -1.65463293E-01 -1.78735466E-01 -6.10047989E-02 8.74666054E-02 6.30947226E-02 -4.46366659E-01 -3.53293010E-01 -1.53806680E-01 -1.44291809E+00 -1.14204962E+00 -4.97193139E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 -2.06701348E-02 -6.68179643E-02 0.00000000E+00 2.49330847E-02 -5.87185664E-02 3.37854816E-02 -5.72322478E-02 0.00000000E+00 0.00000000E+00 3.03118837E-03 -2.24544242E-05 -7.25858308E-05 0.00000000E+00 2.65608768E-03 -6.25520918E-03 3.59912150E-03 -6.09687369E-03 0.00000000E+00 0.00000000E+00 2.35380579E-03 4.37273618E-03 7.33896445E-03 1.07398496E-02 1.25058560E-02 9.18214658E-03 2.67646138E-03 4.59385155E-05 -2.80097252E-02 -5.33145671E-02 -8.72466250E-02 -1.39160802E-01 -1.65463293E-01 -1.78735466E-01 -6.10047989E-02 8.74666054E-02 6.30947226E-02 4.46366659E-01 3.53293010E-01 1.53806680E-01 1.44291809E+00 1.14204962E+00 4.97193139E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 2.06701348E-02 6.68179643E-02 0.00000000E+00 2.49330847E-02 -5.87185664E-02 3.37854816E-02 -5.72322478E-02 0.00000000E+00 0.00000000E+00 3.03118837E-03 2.24544242E-05 7.25858308E-05 0.00000000E+00 2.65608768E-03 -6.25520918E-03 3.59912150E-03 -6.09687369E-03 0.00000000E+00 0.00000000E+00 MO 8 OCC NO = 1.00000000 ORB. ENERGY = -0.57022152 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 -0.00000000E+00 -0.00000000E+00 -0.00000000E+00 -0.00000000E+00 -0.00000000E+00 -0.00000000E+00 -0.00000000E+00 0.00000000E+00 0.00000000E+00 1.67457604E+00 1.32540368E+00 5.77016621E-01 -5.18030039E-01 -4.10013580E-01 -1.78500071E-01 -1.33287799E-01 -1.05495441E-01 -4.59276100E-02 1.01298741E-01 -3.13367619E-02 -8.06286840E-03 -7.28076685E-03 7.28076685E-03 0.00000000E+00 -2.12833915E-02 5.79512285E-04 1.87332262E-03 0.00000000E+00 1.81263251E-03 -5.60737803E-04 -1.44276397E-04 1.13928819E-03 -1.13928819E-03 0.00000000E+00 3.33040695E-03 -9.06815882E-05 -2.93135926E-04 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 -0.00000000E+00 -0.00000000E+00 -0.00000000E+00 -0.00000000E+00 -0.00000000E+00 -0.00000000E+00 -0.00000000E+00 0.00000000E+00 0.00000000E+00 -1.67457604E+00 -1.32540368E+00 -5.77016621E-01 5.18030039E-01 4.10013580E-01 1.78500071E-01 1.33287799E-01 1.05495441E-01 4.59276100E-02 -1.01298741E-01 3.13367619E-02 8.06286840E-03 -7.28076685E-03 7.28076685E-03 0.00000000E+00 -2.12833915E-02 5.79512285E-04 1.87332262E-03 0.00000000E+00 -1.81263251E-03 5.60737803E-04 1.44276397E-04 1.13928819E-03 -1.13928819E-03 0.00000000E+00 3.33040695E-03 -9.06815882E-05 -2.93135926E-04 MO 9 OCC NO = 1.00000000 ORB. ENERGY = -0.57022152 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 -0.00000000E+00 -0.00000000E+00 -0.00000000E+00 -0.00000000E+00 -0.00000000E+00 -0.00000000E+00 -0.00000000E+00 0.00000000E+00 0.00000000E+00 1.27334205E-01 1.00783254E-01 4.38761518E-02 -3.93908317E-02 -3.11772961E-02 -1.35730860E-02 1.75287194E+00 1.38737379E+00 6.03995411E-01 7.70272256E-03 -2.38283695E-03 1.06035030E-01 -5.53627088E-04 5.53627088E-04 0.00000000E+00 -1.61838200E-03 -7.62118387E-03 -2.46361233E-02 0.00000000E+00 1.37831973E-04 -4.26383159E-05 1.89738333E-03 8.66310947E-05 -8.66310947E-05 0.00000000E+00 2.53243036E-04 1.19255635E-03 3.85503958E-03 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 -0.00000000E+00 -0.00000000E+00 -0.00000000E+00 -0.00000000E+00 -0.00000000E+00 -0.00000000E+00 -0.00000000E+00 0.00000000E+00 0.00000000E+00 -1.27334205E-01 -1.00783254E-01 -4.38761518E-02 3.93908317E-02 3.11772961E-02 1.35730860E-02 -1.75287194E+00 -1.38737379E+00 -6.03995411E-01 -7.70272256E-03 2.38283695E-03 -1.06035030E-01 -5.53627088E-04 5.53627088E-04 0.00000000E+00 -1.61838200E-03 -7.62118387E-03 -2.46361233E-02 0.00000000E+00 -1.37831973E-04 4.26383159E-05 -1.89738333E-03 8.66310947E-05 -8.66310947E-05 0.00000000E+00 2.53243036E-04 1.19255635E-03 3.85503958E-03 MO 10 OCC NO = 1.00000000 ORB. 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ENERGY = -0.56819498 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 -0.00000000E+00 -0.00000000E+00 -0.00000000E+00 -0.00000000E+00 -0.00000000E+00 -0.00000000E+00 -0.00000000E+00 0.00000000E+00 0.00000000E+00 1.18900904E+00 9.41084136E-01 4.09702491E-01 -3.67819903E-01 -2.91124344E-01 -1.26741451E-01 -3.82197573E-01 -3.02504070E-01 -1.31695633E-01 7.58611979E-02 -2.34676588E-02 -2.43849835E-02 3.16126268E-02 -3.16126268E-02 0.00000000E+00 9.24111329E-02 -1.01616294E-02 -3.28483292E-02 0.00000000E+00 1.60820586E-03 -4.97498426E-04 -5.16945085E-04 3.36336583E-03 -3.36336583E-03 0.00000000E+00 9.83190826E-03 -1.08112741E-03 -3.49483605E-03 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 -0.00000000E+00 -0.00000000E+00 -0.00000000E+00 -0.00000000E+00 -0.00000000E+00 -0.00000000E+00 -0.00000000E+00 0.00000000E+00 0.00000000E+00 1.18900904E+00 9.41084136E-01 4.09702491E-01 -3.67819903E-01 -2.91124344E-01 -1.26741451E-01 -3.82197573E-01 -3.02504070E-01 -1.31695633E-01 7.58611979E-02 -2.34676588E-02 -2.43849835E-02 -3.16126268E-02 3.16126268E-02 0.00000000E+00 -9.24111329E-02 1.01616294E-02 3.28483292E-02 0.00000000E+00 1.60820586E-03 -4.97498426E-04 -5.16945085E-04 -3.36336583E-03 3.36336583E-03 0.00000000E+00 -9.83190826E-03 1.08112741E-03 3.49483605E-03 MO 16 OCC NO = 1.00000000 ORB. 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