C [He]2s(2)2p(2) 12s9/9p Nucleus Model : Gaussian Charge Distribution Nuclear Charge = 6.0 Atomic Mass = 12.0 Parameter Alpha = 6.807750E+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 0.06666667 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 = -3.767577942520325E+01 Mass Energy = -3.767577233670880E+01 Kinetic Energy = 7.538423697201884E+01 Potential Energy = -7.538424406051330E+01 SINGLE-FAMILY EXPONENT BASIS SET Exponent S+ P- P+ 2.4557689603E+04 o 3.6143836561E+03 o 8.1376940283E+02 o 2.2863360428E+02 o o o 7.4033166143E+01 o o o 2.6439668010E+01 o o o 1.0096029168E+01 o o o 4.0405253951E+00 o o o 1.5874479556E+00 o o o 6.1085478197E-01 o o o 2.3130625181E-01 o o o 8.6482796670E-02 o o o NORMALIZED BASIS SPINORS Symmetry Exponent Param Coefficients Species Large-Component Small-Component S+ 1 2.4557689603E+04 1.0000000000E+00 1.0000000000E+00 2 3.6143836561E+03 1.0000000000E+00 1.0000000000E+00 3 8.1376940283E+02 1.0000000000E+00 1.0000000000E+00 4 2.2863360428E+02 1.0000000000E+00 1.0000000000E+00 5 7.4033166143E+01 1.0000000000E+00 1.0000000000E+00 6 2.6439668010E+01 1.0000000000E+00 1.0000000000E+00 7 1.0096029168E+01 1.0000000000E+00 1.0000000000E+00 8 4.0405253951E+00 1.0000000000E+00 1.0000000000E+00 9 1.5874479556E+00 1.0000000000E+00 1.0000000000E+00 10 6.1085478197E-01 1.0000000000E+00 1.0000000000E+00 11 2.3130625181E-01 1.0000000000E+00 1.0000000000E+00 12 8.6482796670E-02 1.0000000000E+00 1.0000000000E+00 P- 1 2.2863360428E+02 1.0000000000E+00 1.0000000000E+00 2 7.4033166143E+01 1.0000000000E+00 1.0000000000E+00 3 2.6439668010E+01 1.0000000000E+00 1.0000000000E+00 4 1.0096029168E+01 1.0000000000E+00 1.0000000000E+00 5 4.0405253951E+00 1.0000000000E+00 1.0000000000E+00 6 1.5874479556E+00 1.0000000000E+00 1.0000000000E+00 7 6.1085478197E-01 1.0000000000E+00 1.0000000000E+00 8 2.3130625181E-01 1.0000000000E+00 1.0000000000E+00 9 8.6482796670E-02 1.0000000000E+00 1.0000000000E+00 P+ 1 2.2863360428E+02 1.0000000000E+00 1.0000000000E+00 2 7.4033166143E+01 1.0000000000E+00 1.0000000000E+00 3 2.6439668010E+01 1.0000000000E+00 1.0000000000E+00 4 1.0096029168E+01 1.0000000000E+00 1.0000000000E+00 5 4.0405253951E+00 1.0000000000E+00 1.0000000000E+00 6 1.5874479556E+00 1.0000000000E+00 1.0000000000E+00 7 6.1085478197E-01 1.0000000000E+00 1.0000000000E+00 8 2.3130625181E-01 1.0000000000E+00 1.0000000000E+00 9 8.6482796670E-02 1.0000000000E+00 1.0000000000E+00 SPINOR ENERGIES AND VECTORS 1S+ 2S+ -1.1343347E+01 -7.1246499E-01 ------------ ------------ *** Large-Component *** 1 1.4380937E-04 -3.0714429E-05 2 1.1080885E-03 -2.3760860E-04 3 5.7933794E-03 -1.2399498E-03 4 2.3861626E-02 -5.1897494E-03 5 7.9977208E-02 -1.7718193E-02 6 2.0934562E-01 -5.0133966E-02 7 3.8369712E-01 -1.0682524E-01 8 3.6453906E-01 -1.6394585E-01 9 8.8125262E-02 -3.4076486E-02 10 -2.8850346E-03 3.9229694E-01 11 2.2187266E-03 5.8516803E-01 12 -4.5694930E-04 1.6197963E-01 *** Small-Component *** 13 1.3623998E-04 -2.9085251E-05 14 4.1468250E-04 -8.8888219E-05 15 1.0374946E-03 -2.2196587E-04 16 2.2736072E-03 -4.9432181E-04 17 4.3438014E-03 -9.6200550E-04 18 6.8005100E-03 -1.6281127E-03 19 7.7050520E-03 -2.1445713E-03 20 4.6318418E-03 -2.0825439E-03 21 7.0188744E-04 -2.7140508E-04 22 -1.4253866E-05 1.9376533E-03 23 6.7448246E-06 1.7785836E-03 24 -8.4930674E-07 3.0104240E-04 2P- -4.0687421E-01 ------------ *** Large-Component *** 1 1.9273561E-04 2 9.2030271E-04 3 4.8448195E-03 4 1.8208818E-02 5 6.1336100E-02 6 1.8213229E-01 7 3.6220778E-01 8 4.1683471E-01 9 1.9992987E-01 *** Small-Component *** 10 2.2620591E-05 11 6.4130401E-05 12 2.0226080E-04 13 4.7144233E-04 14 1.0052164E-03 15 1.8717885E-03 16 2.3093691E-03 17 1.6355198E-03 18 4.7960156E-04 2P+ -4.0658591E-01 ------------ *** Large-Component *** 1 1.8239764E-04 2 9.1059651E-04 3 4.8108636E-03 4 1.8157177E-02 5 6.1223785E-02 6 1.8195626E-01 7 3.6207628E-01 8 4.1693208E-01 9 2.0025099E-01 *** Small-Component *** 10 2.2413113E-05 11 6.3822435E-05 12 2.0165682E-04 13 4.7053940E-04 14 1.0039164E-03 15 1.8703275E-03 16 2.3087936E-03 17 1.6359883E-03 18 4.8046622E-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