GAUSSIAN 17 MOL ORBITALS 202 PRIMITIVES 2 NUCLEI CL 1 (CENTRE 1) 0.00000000 0.00000000 0.00000000 CHARGE = 17.0 CL 2 (CENTRE 2) 1.68542453 3.42531294 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 8.21947963E-01 1.53612838E+00 2.62651268E+00 4.13022958E+00 5.71476288E+00 6.32644322E+00 4.39959249E+00 1.26488828E+00 3.99447806E-02 -3.42970481E-03 2.94014276E-04 -2.56854011E-05 -4.75569708E-05 -8.30363071E-05 -1.30060786E-04 -1.94389629E-04 -2.33380710E-04 -2.33117227E-04 -7.71326430E-05 1.17931923E-04 6.94451924E-05 1.47945919E-06 1.77864297E-05 3.30867175E-05 5.74154278E-05 9.08973315E-05 1.34861283E-04 1.66585864E-04 1.67127826E-04 6.24811452E-05 -1.16438415E-04 -1.06604810E-04 5.13913623E-05 -9.60762624E-05 2.25133160E-04 2.79653796E-04 2.73523746E-04 1.79732968E-04 6.32209480E-05 6.30308006E-06 1.87181652E-08 4.57541415E-04 5.68344501E-04 5.55886312E-04 3.65273941E-04 1.28484858E-04 1.28098418E-05 3.80412010E-08 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 -5.30936583E-06 -6.53865664E-06 -6.74679684E-06 -4.45149906E-06 -1.83171574E-06 3.21287724E-07 5.15980627E-07 -1.07903021E-05 -1.32886079E-05 -1.37116143E-05 -9.04684688E-06 -3.72262278E-06 6.52957757E-07 1.04863500E-06 -0.00000000E+00 -0.00000000E+00 -0.00000000E+00 -0.00000000E+00 -0.00000000E+00 0.00000000E+00 0.00000000E+00 2.28982045E-07 4.65363591E-07 0.00000000E+00 -1.21994497E-06 4.15787813E-06 -2.93793317E-06 6.98298488E-06 0.00000000E+00 0.00000000E+00 -1.04852703E-05 3.57364289E-05 -2.52511586E-05 6.00178539E-05 0.00000000E+00 0.00000000E+00 1.03170350E-05 1.12549421E-07 2.28735828E-07 0.00000000E+00 1.80724750E-07 -6.15955228E-07 4.35230478E-07 -1.03447143E-06 0.00000000E+00 0.00000000E+00 8.21959435E-01 1.53614982E+00 2.62654934E+00 4.13028723E+00 5.71484264E+00 6.32653152E+00 4.39965389E+00 1.26490594E+00 3.99453381E-02 -3.42975268E-03 2.94018380E-04 -2.56866460E-05 -4.75592757E-05 -8.30403315E-05 -1.30067090E-04 -1.94399050E-04 -2.33392021E-04 -2.33128526E-04 -7.71363812E-05 1.17937638E-04 6.94485581E-05 1.47953089E-06 1.77872402E-05 3.30882253E-05 5.74180442E-05 9.09014737E-05 1.34867429E-04 1.66593456E-04 1.67135442E-04 6.24839925E-05 -1.16443721E-04 -1.06609668E-04 5.13937042E-05 -9.60795589E-05 -2.25136850E-04 -2.79658379E-04 -2.73528230E-04 -1.79735914E-04 -6.32219842E-05 -6.30318337E-06 -1.87184720E-08 -4.57548914E-04 -5.68353816E-04 -5.55895423E-04 -3.65279928E-04 -1.28486963E-04 -1.28100518E-05 -3.80418245E-08 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 5.31018961E-06 6.53967116E-06 6.74784365E-06 4.45218974E-06 1.83199994E-06 -3.21337574E-07 -5.16060684E-07 1.07919763E-05 1.32906697E-05 1.37137417E-05 9.04825054E-06 3.72320036E-06 -6.53059067E-07 -1.04879770E-06 -0.00000000E+00 -0.00000000E+00 -0.00000000E+00 -0.00000000E+00 -0.00000000E+00 0.00000000E+00 0.00000000E+00 -2.28430935E-07 -4.64243561E-07 0.00000000E+00 -1.21996437E-06 4.15794425E-06 -2.93797989E-06 6.98309592E-06 0.00000000E+00 0.00000000E+00 -1.04853309E-05 3.57366348E-05 -2.52513039E-05 6.00181988E-05 0.00000000E+00 0.00000000E+00 1.03170557E-05 -1.12555885E-07 -2.28748966E-07 0.00000000E+00 1.80799168E-07 -6.16208861E-07 4.35409693E-07 -1.03489739E-06 0.00000000E+00 0.00000000E+00 MO 2 OCC NO = 2.00000000 ORB. 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