GAUSSIAN 17 MOL ORBITALS 202 PRIMITIVES 2 NUCLEI CL 1 (CENTRE 1) -10.17297922 1.37444715 0.00000000 CHARGE = 17.0 CL 2 (CENTRE 2) -8.48755469 4.79976009 0.00000000 CHARGE = 17.0 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 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 2 2 CENTRE ASSIGNMENTS 2 2 TYPE ASSIGNMENTS 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 TYPE ASSIGNMENTS 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 TYPE ASSIGNMENTS 2 3 3 3 3 3 3 3 4 4 4 4 4 4 4 2 2 2 2 2 TYPE ASSIGNMENTS 2 2 3 3 3 3 3 3 3 4 4 4 4 4 4 4 2 3 4 5 TYPE ASSIGNMENTS 6 7 8 9 10 5 6 7 8 9 10 1 2 3 4 5 6 7 8 9 TYPE ASSIGNMENTS 10 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 TYPE ASSIGNMENTS 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 TYPE ASSIGNMENTS 2 2 3 3 3 3 3 3 3 4 4 4 4 4 4 4 2 2 2 2 TYPE ASSIGNMENTS 2 2 2 3 3 3 3 3 3 3 4 4 4 4 4 4 4 2 3 4 TYPE ASSIGNMENTS 5 6 7 8 9 10 5 6 7 8 9 10 1 2 3 4 5 6 7 8 TYPE ASSIGNMENTS 9 10 EXPONENTS 1.2790000E+05 1.9170000E+04 4.3630000E+03 1.2360000E+03 4.0360000E+02 EXPONENTS 1.4570000E+02 5.6810000E+01 2.3230000E+01 6.6440000E+00 2.5750000E+00 EXPONENTS 5.3710000E-01 1.2790000E+05 1.9170000E+04 4.3630000E+03 1.2360000E+03 EXPONENTS 4.0360000E+02 1.4570000E+02 5.6810000E+01 2.3230000E+01 6.6440000E+00 EXPONENTS 2.5750000E+00 5.3710000E-01 1.2790000E+05 1.9170000E+04 4.3630000E+03 EXPONENTS 1.2360000E+03 4.0360000E+02 1.4570000E+02 5.6810000E+01 2.3230000E+01 EXPONENTS 6.6440000E+00 2.5750000E+00 5.3710000E-01 1.9380000E-01 4.1760000E+02 EXPONENTS 9.8330000E+01 3.1040000E+01 1.1190000E+01 4.2490000E+00 1.6240000E+00 EXPONENTS 5.3220000E-01 4.1760000E+02 9.8330000E+01 3.1040000E+01 1.1190000E+01 EXPONENTS 4.2490000E+00 1.6240000E+00 5.3220000E-01 4.1760000E+02 9.8330000E+01 EXPONENTS 3.1040000E+01 1.1190000E+01 4.2490000E+00 1.6240000E+00 5.3220000E-01 EXPONENTS 4.1760000E+02 9.8330000E+01 3.1040000E+01 1.1190000E+01 4.2490000E+00 EXPONENTS 1.6240000E+00 5.3220000E-01 4.1760000E+02 9.8330000E+01 3.1040000E+01 EXPONENTS 1.1190000E+01 4.2490000E+00 1.6240000E+00 5.3220000E-01 4.1760000E+02 EXPONENTS 9.8330000E+01 3.1040000E+01 1.1190000E+01 4.2490000E+00 1.6240000E+00 EXPONENTS 5.3220000E-01 1.6200000E-01 1.6200000E-01 1.6200000E-01 6.0300000E-01 EXPONENTS 6.0300000E-01 6.0300000E-01 6.0300000E-01 6.0300000E-01 6.0300000E-01 EXPONENTS 3.6520000E+00 3.6520000E+00 3.6520000E+00 3.6520000E+00 3.6520000E+00 EXPONENTS 3.6520000E+00 6.0800000E-02 4.6600000E-02 4.6600000E-02 4.6600000E-02 EXPONENTS 1.9800000E-01 1.9800000E-01 1.9800000E-01 1.9800000E-01 1.9800000E-01 EXPONENTS 1.9800000E-01 1.2790000E+05 1.9170000E+04 4.3630000E+03 1.2360000E+03 EXPONENTS 4.0360000E+02 1.4570000E+02 5.6810000E+01 2.3230000E+01 6.6440000E+00 EXPONENTS 2.5750000E+00 5.3710000E-01 1.2790000E+05 1.9170000E+04 4.3630000E+03 EXPONENTS 1.2360000E+03 4.0360000E+02 1.4570000E+02 5.6810000E+01 2.3230000E+01 EXPONENTS 6.6440000E+00 2.5750000E+00 5.3710000E-01 1.2790000E+05 1.9170000E+04 EXPONENTS 4.3630000E+03 1.2360000E+03 4.0360000E+02 1.4570000E+02 5.6810000E+01 EXPONENTS 2.3230000E+01 6.6440000E+00 2.5750000E+00 5.3710000E-01 1.9380000E-01 EXPONENTS 4.1760000E+02 9.8330000E+01 3.1040000E+01 1.1190000E+01 4.2490000E+00 EXPONENTS 1.6240000E+00 5.3220000E-01 4.1760000E+02 9.8330000E+01 3.1040000E+01 EXPONENTS 1.1190000E+01 4.2490000E+00 1.6240000E+00 5.3220000E-01 4.1760000E+02 EXPONENTS 9.8330000E+01 3.1040000E+01 1.1190000E+01 4.2490000E+00 1.6240000E+00 EXPONENTS 5.3220000E-01 4.1760000E+02 9.8330000E+01 3.1040000E+01 1.1190000E+01 EXPONENTS 4.2490000E+00 1.6240000E+00 5.3220000E-01 4.1760000E+02 9.8330000E+01 EXPONENTS 3.1040000E+01 1.1190000E+01 4.2490000E+00 1.6240000E+00 5.3220000E-01 EXPONENTS 4.1760000E+02 9.8330000E+01 3.1040000E+01 1.1190000E+01 4.2490000E+00 EXPONENTS 1.6240000E+00 5.3220000E-01 1.6200000E-01 1.6200000E-01 1.6200000E-01 EXPONENTS 6.0300000E-01 6.0300000E-01 6.0300000E-01 6.0300000E-01 6.0300000E-01 EXPONENTS 6.0300000E-01 3.6520000E+00 3.6520000E+00 3.6520000E+00 3.6520000E+00 EXPONENTS 3.6520000E+00 3.6520000E+00 6.0800000E-02 4.6600000E-02 4.6600000E-02 EXPONENTS 4.6600000E-02 1.9800000E-01 1.9800000E-01 1.9800000E-01 1.9800000E-01 EXPONENTS 1.9800000E-01 1.9800000E-01 MO 1 OCC NO = 2.00000000 ORB. ENERGY =-104.90018665 8.21963243E-01 1.53615694E+00 2.62656151E+00 4.13030637E+00 5.71486912E+00 6.32656084E+00 4.39967428E+00 1.26491180E+00 3.99455232E-02 -3.42976857E-03 2.94019742E-04 -2.56870593E-05 -4.75600409E-05 -8.30416675E-05 -1.30069182E-04 -1.94402178E-04 -2.33395776E-04 -2.33132277E-04 -7.71376223E-05 1.17939536E-04 6.94496755E-05 1.47955470E-06 1.77875093E-05 3.30887259E-05 5.74189128E-05 9.09028489E-05 1.34869469E-04 1.66595976E-04 1.67137970E-04 6.24849377E-05 -1.16445483E-04 -1.06611280E-04 5.13944817E-05 -9.60806533E-05 2.25138075E-04 2.79659901E-04 2.73529718E-04 1.79736892E-04 6.32223283E-05 6.30321767E-06 1.87185738E-08 4.57551404E-04 5.68356908E-04 5.55898448E-04 3.65281915E-04 1.28487663E-04 1.28101215E-05 3.80420314E-08 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 -5.31046308E-06 -6.54000794E-06 -6.74819116E-06 -4.45241902E-06 -1.83209428E-06 3.21354122E-07 5.16087261E-07 -1.07925321E-05 -1.32913542E-05 -1.37144480E-05 -9.04871657E-06 -3.72339212E-06 6.53092703E-07 1.04885172E-06 -0.00000000E+00 -0.00000000E+00 -0.00000000E+00 -0.00000000E+00 -0.00000000E+00 0.00000000E+00 0.00000000E+00 2.28247970E-07 4.63871719E-07 0.00000000E+00 -1.21997081E-06 4.15796621E-06 -2.93799540E-06 6.98313278E-06 0.00000000E+00 0.00000000E+00 -1.04853506E-05 3.57367032E-05 -2.52513526E-05 6.00183129E-05 0.00000000E+00 0.00000000E+00 1.03170626E-05 1.12558031E-07 2.28753327E-07 0.00000000E+00 1.80823873E-07 -6.16293065E-07 4.35469192E-07 -1.03503881E-06 0.00000000E+00 0.00000000E+00 8.21944154E-01 1.53612126E+00 2.62650051E+00 4.13021044E+00 5.71473639E+00 6.32641391E+00 4.39957210E+00 1.26488242E+00 3.99445955E-02 -3.42968892E-03 2.94012914E-04 -2.56849879E-05 -4.75562056E-05 -8.30349710E-05 -1.30058693E-04 -1.94386501E-04 -2.33376955E-04 -2.33113477E-04 -7.71314019E-05 1.17930025E-04 6.94440750E-05 1.47943539E-06 1.77861606E-05 3.30862170E-05 5.74145591E-05 9.08959564E-05 1.34859243E-04 1.66583344E-04 1.67125298E-04 6.24801999E-05 -1.16436653E-04 -1.06603197E-04 5.13905848E-05 -9.60751680E-05 -2.25131935E-04 -2.79652274E-04 -2.73522258E-04 -1.79731990E-04 -6.32206040E-05 -6.30304576E-06 -1.87180633E-08 -4.57538925E-04 -5.68341408E-04 -5.55883287E-04 -3.65271953E-04 -1.28484159E-04 -1.28097721E-05 -3.80409940E-08 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 5.30909231E-06 6.53831979E-06 6.74644927E-06 4.45126973E-06 1.83162137E-06 -3.21271172E-07 -5.15954045E-07 1.07897463E-05 1.32879234E-05 1.37109080E-05 9.04638088E-06 3.72243103E-06 -6.52924124E-07 -1.04858099E-06 -0.00000000E+00 -0.00000000E+00 -0.00000000E+00 -0.00000000E+00 -0.00000000E+00 0.00000000E+00 0.00000000E+00 -2.29165010E-07 -4.65735433E-07 0.00000000E+00 -1.21993852E-06 4.15785618E-06 -2.93791766E-06 6.98294801E-06 0.00000000E+00 0.00000000E+00 -1.04852499E-05 3.57363607E-05 -2.52511108E-05 6.00177389E-05 0.00000000E+00 0.00000000E+00 1.03170282E-05 -1.12547275E-07 -2.28731467E-07 0.00000000E+00 1.80700043E-07 -6.15871024E-07 4.35170981E-07 -1.03433001E-06 0.00000000E+00 0.00000000E+00 MO 2 OCC NO = 2.00000000 ORB. 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