H 1s(1) 6s Nucleus Model : Uniformly Charged Sphere Nuclear Charge = 1.0 Atomic Mass = 1.0 Nuclear Radius = 3.430114E-05 Speed of Light = 137.0359895 S+ Number of Closed Shells 0 Open Shells 1 Conf Weight Open Shell Occupation Numbers 1 1.00000000 1.0 ENERGIES Total Energy = -4.999521765059012E-01 Mass Energy = -4.999521758821072E-01 Kinetic Energy = 9.999175652256194E-01 Potential Energy = -9.999175658494134E-01 VIRIAL -[+(CORR )]/ = 0.99999999974075 SINGLE-FAMILY EXPONENT BASIS SET Exponent S+ 8.2969229970E+01 o 1.2457147774E+01 o 2.8338000529E+00 o 8.0015675479E-01 o 2.5862649715E-01 o 8.9975774277E-02 o NORMALIZED BASIS SPINORS Symmetry Exponent Param Coefficients Species Large-Component Small-Component S+ 1 8.2969229970E+01 1.0000000000E+00 1.0000000000E+00 2 1.2457147774E+01 1.0000000000E+00 1.0000000000E+00 3 2.8338000529E+00 1.0000000000E+00 1.0000000000E+00 4 8.0015675479E-01 1.0000000000E+00 1.0000000000E+00 5 2.5862649715E-01 1.0000000000E+00 1.0000000000E+00 6 8.9975774277E-02 1.0000000000E+00 1.0000000000E+00 SPINOR ENERGIES AND VECTORS 1S+ -4.9995218E-01 ------------ *** Large-Component *** 1 1.9973898E-03 2 1.5278502E-02 3 7.5293827E-02 4 2.5630146E-01 5 4.9762667E-01 6 2.9680272E-01 *** Small-Component *** 7 1.1493067E-04 8 3.4074627E-04 9 8.0097696E-04 10 1.4488710E-03 11 1.5993274E-03 12 5.6264007E-04 RADIAL MOMENTS Sym Orb S+ 1 1.99473E+00 9.99918E-01 1.49964E+00 2.99653E+00 7.47159E+00 2.22737E+01