Al [Ne]3s(2)3p(1) 16s13/12p Nucleus Model : Uniformly Charged Sphere Nuclear Charge = 13.0 Atomic Mass = 27.0 Nuclear Radius = 7.509168E-05 Speed of Light = 137.0359895 S+ P- P+ Number of Closed Shells 3 1 1 Open Shells 0 1 1 Conf Weight Open Shell Occupation Numbers 1 0.33333333 0.0 1.0 0.0 2 0.66666667 0.0 0.0 1.0 ENERGIES Total Energy = -2.423302685795173E+02 Mass Energy = -2.423299990670674E+02 Kinetic Energy = 4.855721351950261E+02 Potential Energy = -4.855724047074760E+02 VIRIAL -[+(CORR )]/ = 1.00000000457179 SINGLE-FAMILY EXPONENT BASIS SET Exponent S+ P- P+ 4.7342216011E+05 o 6.3430760724E+04 o 1.3479687270E+04 o 3.6321686480E+03 o o 1.1351324616E+03 o o o 3.9421687650E+02 o o o 1.4857001183E+02 o o o 5.9604580569E+01 o o o 2.5091123038E+01 o o o 1.0784007019E+01 o o o 4.6504911059E+00 o o o 2.0031149698E+00 o o o 8.5741356957E-01 o o o 2.8125982427E-01 o o o 1.1039876106E-01 o o o 4.1470054226E-02 o o o NORMALIZED BASIS SPINORS Symmetry Exponent Param Coefficients Species Large-Component Small-Component S+ 1 4.7342216011E+05 1.0000000000E+00 1.0000000000E+00 2 6.3430760724E+04 1.0000000000E+00 1.0000000000E+00 3 1.3479687270E+04 1.0000000000E+00 1.0000000000E+00 4 3.6321686480E+03 1.0000000000E+00 1.0000000000E+00 5 1.1351324616E+03 1.0000000000E+00 1.0000000000E+00 6 3.9421687650E+02 1.0000000000E+00 1.0000000000E+00 7 1.4857001183E+02 1.0000000000E+00 1.0000000000E+00 8 5.9604580569E+01 1.0000000000E+00 1.0000000000E+00 9 2.5091123038E+01 1.0000000000E+00 1.0000000000E+00 10 1.0784007019E+01 1.0000000000E+00 1.0000000000E+00 11 4.6504911059E+00 1.0000000000E+00 1.0000000000E+00 12 2.0031149698E+00 1.0000000000E+00 1.0000000000E+00 13 8.5741356957E-01 1.0000000000E+00 1.0000000000E+00 14 2.8125982427E-01 1.0000000000E+00 1.0000000000E+00 15 1.1039876106E-01 1.0000000000E+00 1.0000000000E+00 16 4.1470054226E-02 1.0000000000E+00 1.0000000000E+00 P- 1 3.6321686480E+03 1.0000000000E+00 1.0000000000E+00 2 1.1351324616E+03 1.0000000000E+00 1.0000000000E+00 3 3.9421687650E+02 1.0000000000E+00 1.0000000000E+00 4 1.4857001183E+02 1.0000000000E+00 1.0000000000E+00 5 5.9604580569E+01 1.0000000000E+00 1.0000000000E+00 6 2.5091123038E+01 1.0000000000E+00 1.0000000000E+00 7 1.0784007019E+01 1.0000000000E+00 1.0000000000E+00 8 4.6504911059E+00 1.0000000000E+00 1.0000000000E+00 9 2.0031149698E+00 1.0000000000E+00 1.0000000000E+00 10 8.5741356957E-01 1.0000000000E+00 1.0000000000E+00 11 2.8125982427E-01 1.0000000000E+00 1.0000000000E+00 12 1.1039876106E-01 1.0000000000E+00 1.0000000000E+00 13 4.1470054226E-02 1.0000000000E+00 1.0000000000E+00 P+ 1 1.1351324616E+03 1.0000000000E+00 1.0000000000E+00 2 3.9421687650E+02 1.0000000000E+00 1.0000000000E+00 3 1.4857001183E+02 1.0000000000E+00 1.0000000000E+00 4 5.9604580569E+01 1.0000000000E+00 1.0000000000E+00 5 2.5091123038E+01 1.0000000000E+00 1.0000000000E+00 6 1.0784007019E+01 1.0000000000E+00 1.0000000000E+00 7 4.6504911059E+00 1.0000000000E+00 1.0000000000E+00 8 2.0031149698E+00 1.0000000000E+00 1.0000000000E+00 9 8.5741356957E-01 1.0000000000E+00 1.0000000000E+00 10 2.8125982427E-01 1.0000000000E+00 1.0000000000E+00 11 1.1039876106E-01 1.0000000000E+00 1.0000000000E+00 12 4.1470054226E-02 1.0000000000E+00 1.0000000000E+00 SPINOR ENERGIES AND VECTORS 1S+ 2S+ 3S+ -5.8633288E+01 -4.9290903E+00 -3.9429123E-01 ------------ ------------ ------------ *** Large-Component *** 1 3.6727583E-05 -9.5982046E-06 2.2165098E-06 2 2.6272735E-04 -6.8649008E-05 1.5855835E-05 3 1.3766402E-03 -3.6055677E-04 8.3268045E-05 4 5.9065931E-03 -1.5497138E-03 3.5808645E-04 5 2.1746021E-02 -5.7760429E-03 1.3351956E-03 6 6.8578167E-02 -1.8665373E-02 4.3254705E-03 7 1.7731863E-01 -5.1734945E-02 1.2042556E-02 8 3.3941855E-01 -1.1492308E-01 2.7095251E-02 9 3.7759164E-01 -1.8089618E-01 4.3800410E-02 10 1.5117367E-01 -9.1320538E-02 2.3020614E-02 11 7.0984566E-03 2.7359973E-01 -7.5908830E-02 12 2.9429037E-03 5.8609297E-01 -2.0760935E-01 13 -7.5810717E-04 2.9705524E-01 -2.4276413E-01 14 4.0050206E-04 7.2661176E-03 2.8195783E-01 15 -2.0779979E-04 8.9254358E-04 7.1873923E-01 16 5.9398538E-05 -3.4062275E-04 1.9422136E-01 *** Small-Component *** 17 1.1154148E-04 -2.9106895E-05 6.7207706E-06 18 3.6489168E-04 -9.5156030E-05 2.1975188E-05 19 9.4887954E-04 -2.4802936E-04 5.7271607E-05 20 2.1836114E-03 -5.7174355E-04 1.3209112E-04 21 4.5647086E-03 -1.2101101E-03 2.7968881E-04 22 8.5514419E-03 -2.3232398E-03 5.3831037E-04 23 1.3629697E-02 -3.9700942E-03 9.2402298E-04 24 1.6559587E-02 -5.5983464E-03 1.3197749E-03 25 1.1964783E-02 -5.7241981E-03 1.3858848E-03 26 3.1417297E-03 -1.8963065E-03 4.7805028E-04 27 9.6837818E-05 3.7281134E-03 -1.0342259E-03 28 2.6365776E-05 5.2424665E-03 -1.8568224E-03 29 -4.4492149E-06 1.7385075E-03 -1.4206214E-03 30 1.3464561E-06 2.4353486E-05 9.4498738E-04 31 -4.3808058E-07 1.8757027E-06 1.5092175E-03 32 7.6900883E-08 -4.3885180E-07 2.4995540E-04 2P- 3P- -3.2280609E+00 -2.0995649E-01 ------------ ------------ *** Large-Component *** 1 6.7637649E-05 1.2392127E-05 2 2.4018539E-04 4.1667958E-05 3 1.3102216E-03 2.4202421E-04 4 5.8799038E-03 1.0347162E-03 5 2.2688551E-02 4.1930619E-03 6 7.3616667E-02 1.3240700E-02 7 1.9006259E-01 3.6248420E-02 8 3.3931129E-01 6.2566142E-02 9 3.8013243E-01 8.2510808E-02 10 1.9938641E-01 2.0066930E-02 11 1.9918492E-02 -2.4891053E-01 12 -2.6133127E-03 -5.1811120E-01 13 9.6407037E-04 -3.7002448E-01 *** Small-Component *** 14 1.8839184E-05 3.5032650E-06 15 5.8920481E-05 1.0179812E-05 16 1.9805609E-04 3.6653420E-05 17 5.7297595E-04 1.0078213E-04 18 1.4153750E-03 2.6162358E-04 19 2.9977068E-03 5.3913690E-04 20 5.0833829E-03 9.6954930E-04 21 5.9652106E-03 1.0999567E-03 22 4.3869989E-03 9.5232298E-04 23 1.5049281E-03 1.5141925E-04 24 8.5336850E-05 -1.0770801E-03 25 -7.2752270E-06 -1.4045279E-03 26 1.3205257E-06 -6.1480533E-04 2P+ 3P+ -3.2107002E+00 -2.0941975E-01 ------------ ------------ *** Large-Component *** 1 2.6410340E-04 4.6416843E-05 2 1.1356970E-03 2.1039439E-04 3 5.7547398E-03 1.0143062E-03 4 2.2183350E-02 4.1049124E-03 5 7.2910917E-02 1.3131716E-02 6 1.8882874E-01 3.6047405E-02 7 3.3859048E-01 6.2531302E-02 8 3.8075812E-01 8.2660706E-02 9 2.0128836E-01 2.1084629E-02 10 2.0395994E-02 -2.4735103E-01 11 -2.6943859E-03 -5.1781358E-01 12 9.9240745E-04 -3.7207005E-01 *** Small-Component *** 13 7.1179731E-05 1.2504041E-05 14 1.8249001E-04 3.3809969E-05 15 5.6952384E-04 1.0036348E-04 16 1.3943199E-03 2.5799799E-04 17 2.9768447E-03 5.3609865E-04 18 5.0575865E-03 9.6543260E-04 19 5.9567616E-03 1.1000402E-03 20 4.3967554E-03 9.5445642E-04 21 1.5207626E-03 1.5929991E-04 22 8.8259113E-05 -1.0702409E-03 23 -7.3055114E-06 -1.4037048E-03 24 1.6492277E-06 -6.1817768E-04 RADIAL MOMENTS Sym Orb S+ 1 3.24324E+02 1.26444E+01 1.19913E-01 1.93616E-02 3.94663E-03 9.76577E-04 2 2.32025E+01 2.36008E+00 6.18253E-01 4.56456E-01 3.91081E-01 3.84248E-01 3 1.38171E+00 5.08126E-01 2.59486E+00 7.86852E+00 2.74111E+01 1.08892E+02 P- 1 7.00793E+00 2.21445E+00 5.98740E-01 4.52870E-01 4.18010E-01 4.59196E-01 2 3.13254E-01 3.80020E-01 3.42467E+00 1.38992E+01 6.53406E+01 3.49876E+02 P+ 1 6.91632E+00 2.20472E+00 6.00815E-01 4.55865E-01 4.22042E-01 4.65023E-01 2 3.10494E-01 3.79175E-01 3.43135E+00 1.39509E+01 6.56856E+01 3.52184E+02