O [He]2s(2)2p(4) 12s9/9p Nucleus Model : Uniformly Charged Sphere Nuclear Charge = 8.0 Atomic Mass = 16.0 Nuclear Radius = 6.529873E-05 Speed of Light = 137.0359895 S+ P- P+ Number of Closed Shells 2 0 0 Open Shells 0 1 1 Conf Weight Open Shell Occupation Numbers 1 0.40000000 0.0 2.0 2.0 2 0.53333333 0.0 1.0 3.0 3 0.06666667 0.0 0.0 4.0 ENERGIES Total Energy = -7.482441651565760E+01 Mass Energy = -7.482438972563415E+01 Kinetic Energy = 1.497604565011932E+02 Potential Energy = -1.497604832912167E+02 VIRIAL -[+(CORR )]/ = 1.00000000184988 SINGLE-FAMILY EXPONENT BASIS SET Exponent S+ P- P+ 4.2790655679E+04 o 6.2208813695E+03 o 1.3901000997E+03 o 3.8825820909E+02 o o o 1.2508301140E+02 o o o 4.4521741978E+01 o o o 1.6996599684E+01 o o o 6.8219047444E+00 o o o 2.6798708397E+00 o o o 1.0413041581E+00 o o o 3.9371482084E-01 o o o 1.4311921300E-01 o o o NORMALIZED BASIS SPINORS Symmetry Exponent Param Coefficients Species Large-Component Small-Component S+ 1 4.2790655679E+04 1.0000000000E+00 1.0000000000E+00 2 6.2208813695E+03 1.0000000000E+00 1.0000000000E+00 3 1.3901000997E+03 1.0000000000E+00 1.0000000000E+00 4 3.8825820909E+02 1.0000000000E+00 1.0000000000E+00 5 1.2508301140E+02 1.0000000000E+00 1.0000000000E+00 6 4.4521741978E+01 1.0000000000E+00 1.0000000000E+00 7 1.6996599684E+01 1.0000000000E+00 1.0000000000E+00 8 6.8219047444E+00 1.0000000000E+00 1.0000000000E+00 9 2.6798708397E+00 1.0000000000E+00 1.0000000000E+00 10 1.0413041581E+00 1.0000000000E+00 1.0000000000E+00 11 3.9371482084E-01 1.0000000000E+00 1.0000000000E+00 12 1.4311921300E-01 1.0000000000E+00 1.0000000000E+00 P- 1 3.8825820909E+02 1.0000000000E+00 1.0000000000E+00 2 1.2508301140E+02 1.0000000000E+00 1.0000000000E+00 3 4.4521741978E+01 1.0000000000E+00 1.0000000000E+00 4 1.6996599684E+01 1.0000000000E+00 1.0000000000E+00 5 6.8219047444E+00 1.0000000000E+00 1.0000000000E+00 6 2.6798708397E+00 1.0000000000E+00 1.0000000000E+00 7 1.0413041581E+00 1.0000000000E+00 1.0000000000E+00 8 3.9371482084E-01 1.0000000000E+00 1.0000000000E+00 9 1.4311921300E-01 1.0000000000E+00 1.0000000000E+00 P+ 1 3.8825820909E+02 1.0000000000E+00 1.0000000000E+00 2 1.2508301140E+02 1.0000000000E+00 1.0000000000E+00 3 4.4521741978E+01 1.0000000000E+00 1.0000000000E+00 4 1.6996599684E+01 1.0000000000E+00 1.0000000000E+00 5 6.8219047444E+00 1.0000000000E+00 1.0000000000E+00 6 2.6798708397E+00 1.0000000000E+00 1.0000000000E+00 7 1.0413041581E+00 1.0000000000E+00 1.0000000000E+00 8 3.9371482084E-01 1.0000000000E+00 1.0000000000E+00 9 1.4311921300E-01 1.0000000000E+00 1.0000000000E+00 SPINOR ENERGIES AND VECTORS 1S+ 2S+ -2.0698101E+01 -1.2521837E+00 ------------ ------------ *** Large-Component *** 1 1.5555849E-04 -3.5376958E-05 2 1.1915352E-03 -2.7185189E-04 3 6.2371396E-03 -1.4226207E-03 4 2.5773113E-02 -5.9706233E-03 5 8.6512657E-02 -2.0532452E-02 6 2.2511877E-01 -5.8160617E-02 7 3.9889448E-01 -1.2340427E-01 8 3.4186151E-01 -1.7102971E-01 9 6.8740813E-02 1.6478008E-02 10 -1.2577836E-03 4.5070584E-01 11 1.6278470E-03 5.4536035E-01 12 -2.2621068E-04 1.1914407E-01 *** Small-Component *** 13 1.8835207E-04 -4.2802038E-05 14 5.7848115E-04 -1.3188943E-04 15 1.4527372E-03 -3.3110893E-04 16 3.1934438E-03 -7.3930267E-04 17 6.1025054E-03 -1.4474224E-03 18 9.4875423E-03 -2.4498054E-03 19 1.0394014E-02 -3.2138710E-03 20 5.6452691E-03 -2.8229177E-03 21 7.1151792E-04 1.7026657E-04 22 -8.1115308E-06 2.9065375E-03 23 6.4546159E-06 2.1626127E-03 24 -5.4012483E-07 2.8485878E-04 2P- -6.1664310E-01 ------------ *** Large-Component *** 1 2.5929154E-04 2 1.1933190E-03 3 6.4415829E-03 4 2.4126222E-02 5 8.2525967E-02 6 2.2092428E-01 7 3.7389422E-01 8 3.8371833E-01 9 1.7068320E-01 *** Small-Component *** 10 3.8406976E-05 11 1.0751143E-04 12 3.4783546E-04 13 8.0972889E-04 14 1.7565797E-03 15 2.9495059E-03 16 3.1121212E-03 17 1.9641454E-03 18 5.2658338E-04 2P+ -6.1520532E-01 ------------ *** Large-Component *** 1 2.3656641E-04 2 1.1707089E-03 3 6.3612362E-03 4 2.3992807E-02 5 8.2230009E-02 6 2.2048805E-01 7 3.7362576E-01 8 3.8401611E-01 9 1.7148798E-01 *** Small-Component *** 10 3.7773455E-05 11 1.0652571E-04 12 3.4579994E-04 13 8.0652953E-04 14 1.7518632E-03 15 2.9446499E-03 16 3.1105776E-03 17 1.9659060E-03 18 5.2930734E-04 RADIAL MOMENTS Sym Orb S+ 1 1.18919E+02 7.65466E+00 1.98372E-01 5.30434E-02 1.79161E-02 7.34349E-03 2 6.64637E+00 1.26878E+00 1.13963E+00 1.57545E+00 2.57794E+00 4.93438E+00 P- 1 1.81751E+00 1.10891E+00 1.23742E+00 1.99432E+00 4.01604E+00 9.75734E+00 P+ 1 1.80923E+00 1.10710E+00 1.23914E+00 1.99969E+00 4.03182E+00 9.80676E+00