N [He]2s(2)2p(3) 12s9/9p Nucleus Model : Gaussian Charge Distribution Nuclear Charge = 7.0 Atomic Mass = 14.0 Parameter Alpha = 6.286562E+08 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 0.20000000 0.0 2.0 1.0 2 0.60000000 0.0 1.0 2.0 3 0.20000000 0.0 0.0 3.0 ENERGIES Total Energy = -5.432732623960341E+01 Mass Energy = -5.432731175929400E+01 Kinetic Energy = 1.087177639199742E+02 Potential Energy = -1.087177784002837E+02 SINGLE-FAMILY EXPONENT BASIS SET Exponent S+ P- P+ 3.2941464756E+04 o 4.8201412459E+03 o 1.0813897288E+03 o 3.0298230714E+02 o o o 9.7874967989E+01 o o o 3.4901187538E+01 o o o 1.3328787738E+01 o o o 5.3433482380E+00 o o o 2.0943169867E+00 o o o 8.1107181018E-01 o o o 3.0704519790E-01 o o o 1.1305533257E-01 o o o NORMALIZED BASIS SPINORS Symmetry Exponent Param Coefficients Species Large-Component Small-Component S+ 1 3.2941464756E+04 1.0000000000E+00 1.0000000000E+00 2 4.8201412459E+03 1.0000000000E+00 1.0000000000E+00 3 1.0813897288E+03 1.0000000000E+00 1.0000000000E+00 4 3.0298230714E+02 1.0000000000E+00 1.0000000000E+00 5 9.7874967989E+01 1.0000000000E+00 1.0000000000E+00 6 3.4901187538E+01 1.0000000000E+00 1.0000000000E+00 7 1.3328787738E+01 1.0000000000E+00 1.0000000000E+00 8 5.3433482380E+00 1.0000000000E+00 1.0000000000E+00 9 2.0943169867E+00 1.0000000000E+00 1.0000000000E+00 10 8.1107181018E-01 1.0000000000E+00 1.0000000000E+00 11 3.0704519790E-01 1.0000000000E+00 1.0000000000E+00 12 1.1305533257E-01 1.0000000000E+00 1.0000000000E+00 P- 1 3.0298230714E+02 1.0000000000E+00 1.0000000000E+00 2 9.7874967989E+01 1.0000000000E+00 1.0000000000E+00 3 3.4901187538E+01 1.0000000000E+00 1.0000000000E+00 4 1.3328787738E+01 1.0000000000E+00 1.0000000000E+00 5 5.3433482380E+00 1.0000000000E+00 1.0000000000E+00 6 2.0943169867E+00 1.0000000000E+00 1.0000000000E+00 7 8.1107181018E-01 1.0000000000E+00 1.0000000000E+00 8 3.0704519790E-01 1.0000000000E+00 1.0000000000E+00 9 1.1305533257E-01 1.0000000000E+00 1.0000000000E+00 P+ 1 3.0298230714E+02 1.0000000000E+00 1.0000000000E+00 2 9.7874967989E+01 1.0000000000E+00 1.0000000000E+00 3 3.4901187538E+01 1.0000000000E+00 1.0000000000E+00 4 1.3328787738E+01 1.0000000000E+00 1.0000000000E+00 5 5.3433482380E+00 1.0000000000E+00 1.0000000000E+00 6 2.0943169867E+00 1.0000000000E+00 1.0000000000E+00 7 8.1107181018E-01 1.0000000000E+00 1.0000000000E+00 8 3.0704519790E-01 1.0000000000E+00 1.0000000000E+00 9 1.1305533257E-01 1.0000000000E+00 1.0000000000E+00 SPINOR ENERGIES AND VECTORS 1S+ 2S+ -1.5676070E+01 -9.6461073E-01 ------------ ------------ *** Large-Component *** 1 1.5036635E-04 -3.3316568E-05 2 1.1555024E-03 -2.5696706E-04 3 6.0447888E-03 -1.3427165E-03 4 2.4932554E-02 -5.6276358E-03 5 8.3604236E-02 -1.9277759E-02 6 2.1807949E-01 -5.4590266E-02 7 3.9244530E-01 -1.1605958E-01 8 3.5236650E-01 -1.6899523E-01 9 7.6728114E-02 -5.9607544E-03 10 -2.1464967E-03 4.2800478E-01 11 1.9425154E-03 5.6311882E-01 12 -3.3816538E-04 1.3569256E-01 *** Small-Component *** 13 1.6251877E-04 -3.5987907E-05 14 4.9677925E-04 -1.1041907E-04 15 1.2450514E-03 -2.7640750E-04 16 2.7320950E-03 -6.1636746E-04 17 5.2189861E-03 -1.2028442E-03 18 8.1384230E-03 -2.0363994E-03 19 9.0552512E-03 -2.6769023E-03 20 5.1491295E-03 -2.4686234E-03 21 7.0200231E-04 -5.4646273E-05 22 -1.2219947E-05 2.4359664E-03 23 6.8031253E-06 1.9719831E-03 24 -7.1836051E-07 2.8834120E-04 2P- -5.0876916E-01 ------------ *** Large-Component *** 1 2.2890644E-04 2 1.0659063E-03 3 5.7236359E-03 4 2.1358074E-02 5 7.3229376E-02 6 2.0528252E-01 7 3.7042280E-01 8 3.9779951E-01 9 1.8136400E-01 *** Small-Component *** 10 3.0467762E-05 11 8.5189055E-05 12 2.7412071E-04 13 6.3509623E-04 14 1.3798230E-03 15 2.4230379E-03 16 2.7212743E-03 17 1.7982543E-03 18 4.9737565E-04 2P+ -5.0807272E-01 ------------ *** Large-Component *** 1 2.1296785E-04 2 1.0504839E-03 3 5.6691229E-03 4 2.1271075E-02 5 7.3036929E-02 6 2.0499123E-01 7 3.7022920E-01 8 3.9798416E-01 9 1.8189428E-01 *** Small-Component *** 10 3.0085910E-05 11 8.4608151E-05 12 2.7294518E-04 13 6.3329121E-04 14 1.3771716E-03 15 2.4202096E-03 16 2.7202956E-03 17 1.7992384E-03 18 4.9898655E-04 RADIAL MOMENTS Sym Orb S+ 1 9.01555E+01 6.66201E+00 2.28078E-01 7.01393E-02 2.72440E-02 1.28365E-02 2 4.81880E+00 1.08448E+00 1.32547E+00 2.12784E+00 4.03783E+00 8.94787E+00 P- 1 1.30802E+00 9.42971E-01 1.44512E+00 2.69886E+00 6.25041E+00 1.73504E+01 P+ 1 1.30389E+00 9.41939E-01 1.44641E+00 2.70349E+00 6.26589E+00 1.74054E+01