B [He]2s(2)2p(1) 12s9/9p Nucleus Model : Uniformly Charged Sphere Nuclear Charge = 5.0 Atomic Mass = 11.0 Nuclear Radius = 5.926454E-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 0.33333333 0.0 1.0 0.0 2 0.66666667 0.0 0.0 1.0 ENERGIES Total Energy = -2.453639583238738E+01 Mass Energy = -2.453639259928971E+01 Kinetic Energy = 4.908777150984584E+01 Potential Energy = -4.908777474294351E+01 VIRIAL -[+(CORR )]/ = 1.00000000221275 SINGLE-FAMILY EXPONENT BASIS SET Exponent S+ P- P+ 1.7883967581E+04 o 2.6452404215E+03 o 5.9737215663E+02 o 1.6822788848E+02 o o o 5.4583936705E+01 o o o 1.9521892101E+01 o o o 7.4539113407E+00 o o o 2.9810238126E+00 o o o 1.1919361222E+00 o o o 4.4767981827E-01 o o o 1.6879001585E-01 o o o 6.4051534968E-02 o o o NORMALIZED BASIS SPINORS Symmetry Exponent Param Coefficients Species Large-Component Small-Component S+ 1 1.7883967581E+04 1.0000000000E+00 1.0000000000E+00 2 2.6452404215E+03 1.0000000000E+00 1.0000000000E+00 3 5.9737215663E+02 1.0000000000E+00 1.0000000000E+00 4 1.6822788848E+02 1.0000000000E+00 1.0000000000E+00 5 5.4583936705E+01 1.0000000000E+00 1.0000000000E+00 6 1.9521892101E+01 1.0000000000E+00 1.0000000000E+00 7 7.4539113407E+00 1.0000000000E+00 1.0000000000E+00 8 2.9810238126E+00 1.0000000000E+00 1.0000000000E+00 9 1.1919361222E+00 1.0000000000E+00 1.0000000000E+00 10 4.4767981827E-01 1.0000000000E+00 1.0000000000E+00 11 1.6879001585E-01 1.0000000000E+00 1.0000000000E+00 12 6.4051534968E-02 1.0000000000E+00 1.0000000000E+00 P- 1 1.6822788848E+02 1.0000000000E+00 1.0000000000E+00 2 5.4583936705E+01 1.0000000000E+00 1.0000000000E+00 3 1.9521892101E+01 1.0000000000E+00 1.0000000000E+00 4 7.4539113407E+00 1.0000000000E+00 1.0000000000E+00 5 2.9810238126E+00 1.0000000000E+00 1.0000000000E+00 6 1.1919361222E+00 1.0000000000E+00 1.0000000000E+00 7 4.4767981827E-01 1.0000000000E+00 1.0000000000E+00 8 1.6879001585E-01 1.0000000000E+00 1.0000000000E+00 9 6.4051534968E-02 1.0000000000E+00 1.0000000000E+00 P+ 1 1.6822788848E+02 1.0000000000E+00 1.0000000000E+00 2 5.4583936705E+01 1.0000000000E+00 1.0000000000E+00 3 1.9521892101E+01 1.0000000000E+00 1.0000000000E+00 4 7.4539113407E+00 1.0000000000E+00 1.0000000000E+00 5 2.9810238126E+00 1.0000000000E+00 1.0000000000E+00 6 1.1919361222E+00 1.0000000000E+00 1.0000000000E+00 7 4.4767981827E-01 1.0000000000E+00 1.0000000000E+00 8 1.6879001585E-01 1.0000000000E+00 1.0000000000E+00 9 6.4051534968E-02 1.0000000000E+00 1.0000000000E+00 SPINOR ENERGIES AND VECTORS 1S+ 2S+ -7.6974591E+00 -4.9480854E-01 ------------ ------------ *** Large-Component *** 1 1.3198591E-04 -2.6640400E-05 2 1.0192579E-03 -2.0645319E-04 3 5.3272196E-03 -1.0773280E-03 4 2.1936835E-02 -4.4997180E-03 5 7.3672328E-02 -1.5362634E-02 6 1.9452013E-01 -4.3431791E-02 7 3.6711787E-01 -9.3354937E-02 8 3.8115216E-01 -1.5155015E-01 9 1.1199368E-01 -7.3533511E-02 10 -2.1985307E-03 3.2330861E-01 11 2.1577977E-03 6.1261061E-01 12 -5.1964353E-04 2.1537868E-01 *** Small-Component *** 13 1.0805467E-04 -2.1803843E-05 14 3.2772728E-04 -6.6365853E-05 15 8.1892435E-04 -1.6556870E-04 16 1.7943958E-03 -3.6798428E-04 17 3.4368865E-03 -7.1652391E-04 18 5.4301379E-03 -1.2121930E-03 19 6.3342798E-03 -1.6104613E-03 20 4.1594567E-03 -1.6535426E-03 21 7.7285443E-04 -5.0738213E-04 22 -9.2985455E-06 1.3670737E-03 23 5.6035440E-06 1.5905826E-03 24 -8.3130252E-07 3.4448278E-04 2P- -3.0983961E-01 ------------ *** Large-Component *** 1 1.4188171E-04 2 7.3476834E-04 3 3.5910730E-03 4 1.4295951E-02 5 4.4063511E-02 6 1.4387565E-01 7 3.4027402E-01 8 4.4271173E-01 9 2.4231930E-01 *** Small-Component *** 10 1.4449804E-05 11 4.4059503E-05 12 1.2897259E-04 13 3.1815390E-04 14 6.2038184E-04 15 1.2813274E-03 16 1.8573589E-03 17 1.4838915E-03 18 5.0030039E-04 2P+ -3.0974668E-01 ------------ *** Large-Component *** 1 1.3604867E-04 2 7.2946530E-04 3 3.5728814E-03 4 1.4269806E-02 5 4.4009986E-02 6 1.4378613E-01 7 3.4019145E-01 8 4.4274516E-01 9 2.4249168E-01 *** Small-Component *** 10 1.4355130E-05 11 4.3922115E-05 12 1.2871752E-04 13 3.1778095E-04 14 6.1988145E-04 15 1.2807020E-03 16 1.8570485E-03 17 1.4840476E-03 18 5.0070737E-04 RADIAL MOMENTS Sym Orb S+ 1 4.46066E+01 4.67717E+00 3.25740E-01 1.43268E-01 7.96052E-02 5.35971E-02 2 2.02839E+00 7.13213E-01 1.97686E+00 4.71054E+00 1.32093E+01 4.30018E+01 P- 1 5.30609E-01 6.05358E-01 2.20185E+00 6.11735E+00 2.05987E+01 8.14508E+01 P+ 1 5.29998E-01 6.05141E-01 2.20242E+00 6.12027E+00 2.06125E+01 8.15182E+01