C [He]2s(2)2p(2) 12s9/9p Nucleus Model : Uniformly Charged Sphere Nuclear Charge = 6.0 Atomic Mass = 12.0 Nuclear Radius = 6.059938E-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 0.06666667 0.0 2.0 0.0 2 0.53333333 0.0 1.0 1.0 3 0.40000000 0.0 0.0 2.0 ENERGIES Total Energy = -3.767577942520070E+01 Mass Energy = -3.767577233874117E+01 Kinetic Energy = 7.538423697601370E+01 Potential Energy = -7.538424406247323E+01 VIRIAL -[+(CORR )]/ = 1.00000000164317 SINGLE-FAMILY EXPONENT BASIS SET Exponent S+ P- P+ 2.4557676025E+04 o 3.6143845824E+03 o 8.1376656461E+02 o 2.2863226435E+02 o o o 7.4032625953E+01 o o o 2.6439484212E+01 o o o 1.0095966181E+01 o o o 4.0405059639E+00 o o o 1.5874433625E+00 o o o 6.1085441071E-01 o o o 2.3130633531E-01 o o o 8.6482912281E-02 o o o NORMALIZED BASIS SPINORS Symmetry Exponent Param Coefficients Species Large-Component Small-Component S+ 1 2.4557676025E+04 1.0000000000E+00 1.0000000000E+00 2 3.6143845824E+03 1.0000000000E+00 1.0000000000E+00 3 8.1376656461E+02 1.0000000000E+00 1.0000000000E+00 4 2.2863226435E+02 1.0000000000E+00 1.0000000000E+00 5 7.4032625953E+01 1.0000000000E+00 1.0000000000E+00 6 2.6439484212E+01 1.0000000000E+00 1.0000000000E+00 7 1.0095966181E+01 1.0000000000E+00 1.0000000000E+00 8 4.0405059639E+00 1.0000000000E+00 1.0000000000E+00 9 1.5874433625E+00 1.0000000000E+00 1.0000000000E+00 10 6.1085441071E-01 1.0000000000E+00 1.0000000000E+00 11 2.3130633531E-01 1.0000000000E+00 1.0000000000E+00 12 8.6482912281E-02 1.0000000000E+00 1.0000000000E+00 P- 1 2.2863226435E+02 1.0000000000E+00 1.0000000000E+00 2 7.4032625953E+01 1.0000000000E+00 1.0000000000E+00 3 2.6439484212E+01 1.0000000000E+00 1.0000000000E+00 4 1.0095966181E+01 1.0000000000E+00 1.0000000000E+00 5 4.0405059639E+00 1.0000000000E+00 1.0000000000E+00 6 1.5874433625E+00 1.0000000000E+00 1.0000000000E+00 7 6.1085441071E-01 1.0000000000E+00 1.0000000000E+00 8 2.3130633531E-01 1.0000000000E+00 1.0000000000E+00 9 8.6482912281E-02 1.0000000000E+00 1.0000000000E+00 P+ 1 2.2863226435E+02 1.0000000000E+00 1.0000000000E+00 2 7.4032625953E+01 1.0000000000E+00 1.0000000000E+00 3 2.6439484212E+01 1.0000000000E+00 1.0000000000E+00 4 1.0095966181E+01 1.0000000000E+00 1.0000000000E+00 5 4.0405059639E+00 1.0000000000E+00 1.0000000000E+00 6 1.5874433625E+00 1.0000000000E+00 1.0000000000E+00 7 6.1085441071E-01 1.0000000000E+00 1.0000000000E+00 8 2.3130633531E-01 1.0000000000E+00 1.0000000000E+00 9 8.6482912281E-02 1.0000000000E+00 1.0000000000E+00 SPINOR ENERGIES AND VECTORS 1S+ 2S+ -1.1343347E+01 -7.1246499E-01 ------------ ------------ *** Large-Component *** 1 1.4380927E-04 -3.0714408E-05 2 1.1080903E-03 -2.3760895E-04 3 5.7934167E-03 -1.2399579E-03 4 2.3861838E-02 -5.1897953E-03 5 7.9977879E-02 -1.7718349E-02 6 2.0934678E-01 -5.0134269E-02 7 3.8369774E-01 -1.0682563E-01 8 3.6453727E-01 -1.6394554E-01 9 8.8124306E-02 -3.4075596E-02 10 -2.8849646E-03 3.9229669E-01 11 2.2186884E-03 5.8516761E-01 12 -4.5693780E-04 1.6198000E-01 *** Small-Component *** 13 1.3623984E-04 -2.9085222E-05 14 4.1468320E-04 -8.8888362E-05 15 1.0374995E-03 -2.2196695E-04 16 2.2736208E-03 -4.9432474E-04 17 4.3438220E-03 -9.6201049E-04 18 6.8005241E-03 -1.6281169E-03 19 7.7050405E-03 -2.1445725E-03 20 4.6318079E-03 -2.0825350E-03 21 7.0187881E-04 -2.7139760E-04 22 -1.4253515E-05 1.9376515E-03 23 6.7447095E-06 1.7785827E-03 24 -8.4928587E-07 3.0104329E-04 2P- -4.0687420E-01 ------------ *** Large-Component *** 1 1.9273783E-04 2 9.2031362E-04 3 4.8448721E-03 4 1.8208944E-02 5 6.1336390E-02 6 1.8213230E-01 7 3.6220729E-01 8 4.1683439E-01 9 1.9993014E-01 *** Small-Component *** 10 2.2620794E-05 11 6.4130929E-05 12 2.0226231E-04 13 4.7144414E-04 14 1.0052187E-03 15 1.8717859E-03 16 2.3093653E-03 17 1.6355188E-03 18 4.7960254E-04 2P+ -4.0658591E-01 ------------ *** Large-Component *** 1 1.8239981E-04 2 9.1060735E-04 3 4.8109161E-03 4 1.8157303E-02 5 6.1224075E-02 6 1.8195627E-01 7 3.6207579E-01 8 4.1693176E-01 9 2.0025127E-01 *** Small-Component *** 10 2.2413314E-05 11 6.3822962E-05 12 2.0165832E-04 13 4.7054121E-04 14 1.0039188E-03 15 1.8703249E-03 16 2.3087897E-03 17 1.6359873E-03 18 4.8046720E-04 RADIAL MOMENTS Sym Orb S+ 1 6.53926E+01 5.66972E+00 2.68268E-01 9.70839E-02 4.43770E-02 2.45944E-02 2 3.28065E+00 8.99596E-01 1.58525E+00 3.03750E+00 6.86732E+00 1.80888E+01 P- 1 8.79302E-01 7.75622E-01 1.74091E+00 3.87754E+00 1.06072E+01 3.44853E+01 P+ 1 8.77517E-01 7.75100E-01 1.74182E+00 3.88136E+00 1.06221E+01 3.45465E+01